smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(CC(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001570532000 1086319232 /nfs/dbraw/zinc/31/92/32/1086319232.db2.gz WEMFAZQPZOHUHV-UHFFFAOYSA-N 0 0 327.409 2.818 10 10 EFCERN CO[C@@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001570533649 1086324364 /nfs/dbraw/zinc/32/43/64/1086324364.db2.gz LFTWWTMDWCTIDQ-KRWDZBQOSA-N 0 0 336.391 2.814 10 10 EFCERN CCc1nc2c(nccc2C(=O)NCc2ccc3cccnc3c2O)[nH]1 ZINC001570533447 1086324378 /nfs/dbraw/zinc/32/43/78/1086324378.db2.gz BRKYKKCTBSQCPG-UHFFFAOYSA-N 0 0 347.378 2.704 10 10 EFCERN CO[C@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001570533650 1086324827 /nfs/dbraw/zinc/32/48/27/1086324827.db2.gz LFTWWTMDWCTIDQ-QGZVFWFLSA-N 0 0 336.391 2.814 10 10 EFCERN CCO[C@]12CCC[C@@]1(NC(=O)c1ccc(N=NC(N)=O)cc1)CCO2 ZINC001646527177 1087835184 /nfs/dbraw/zinc/83/51/84/1087835184.db2.gz RMVAHMKVZRTHIK-SJORKVTESA-N 0 0 346.387 2.655 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(Br)s1 ZINC001647177858 1089040999 /nfs/dbraw/zinc/04/09/99/1089040999.db2.gz IYQWZYCVFHLGFU-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)c(O)c1 ZINC001647270679 1089188425 /nfs/dbraw/zinc/18/84/25/1089188425.db2.gz WTQZNMMRZGCHPG-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN CCOc1ccc(CCN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001647732647 1089867788 /nfs/dbraw/zinc/86/77/88/1089867788.db2.gz HRTXFVOMPIBJRX-UHFFFAOYSA-N 0 0 329.396 2.740 10 10 EFCERN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647791841 1089880490 /nfs/dbraw/zinc/88/04/90/1089880490.db2.gz WLTUPXNIADIXEF-UHFFFAOYSA-N 0 0 341.392 2.568 10 10 EFCERN O=C(Nc1cnc2n[nH]cc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001647807528 1089882286 /nfs/dbraw/zinc/88/22/86/1089882286.db2.gz ZPISOARBVAQDBJ-UHFFFAOYSA-N 0 0 326.337 2.836 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccccc1Cn1cncn1 ZINC001647827039 1089888129 /nfs/dbraw/zinc/88/81/29/1089888129.db2.gz UIGRJTGZPUBQOC-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN O=CC1=S=C(c2ccc(C(=O)Nc3ccnn3C3CC3)cc2)C=C1 ZINC001647853881 1089896640 /nfs/dbraw/zinc/89/66/40/1089896640.db2.gz NQOLCTXFJNEIQS-UHFFFAOYSA-N 0 0 337.404 2.665 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001647926141 1089912193 /nfs/dbraw/zinc/91/21/93/1089912193.db2.gz LHJZZEUBJQWJGP-UHFFFAOYSA-N 0 0 346.814 2.993 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001648014519 1089929616 /nfs/dbraw/zinc/92/96/16/1089929616.db2.gz PPIDAPSJPZYINV-WAPJZHGLSA-N 0 0 337.335 2.641 10 10 EFCERN O=C(/C=C\c1cncc(F)c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001583360422 1091977982 /nfs/dbraw/zinc/97/79/82/1091977982.db2.gz FVEYZQPJJUYPFT-RJRFIUFISA-N 0 0 331.278 2.871 10 10 EFCERN Cc1cccc2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)n21 ZINC001583627668 1092052371 /nfs/dbraw/zinc/05/23/71/1092052371.db2.gz CLEPWDQIFGUONT-UHFFFAOYSA-N 0 0 334.423 2.955 10 10 EFCERN C[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001583676060 1092057312 /nfs/dbraw/zinc/05/73/12/1092057312.db2.gz DZGRANRTSGABNC-HHXXYDBFSA-N 0 0 346.471 2.642 10 10 EFCERN Cc1nn(C)c2ncc(C(=O)NCc3cc(Cl)ccc3O)cc12 ZINC001583816221 1092071822 /nfs/dbraw/zinc/07/18/22/1092071822.db2.gz DWNPXFOOSRBEAG-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(-c2ccoc2)n1 ZINC001583820850 1092072444 /nfs/dbraw/zinc/07/24/44/1092072444.db2.gz OIKACAGYWRUSDZ-UHFFFAOYSA-N 0 0 331.759 2.969 10 10 EFCERN O=C(NCCc1ccc(OC(F)F)cc1)c1c(F)ccc(O)c1O ZINC001648383748 1092210813 /nfs/dbraw/zinc/21/08/13/1092210813.db2.gz XACIFXLPHLRGAC-UHFFFAOYSA-N 0 0 341.285 2.811 10 10 EFCERN CCOC(=O)c1cnc(C(=O)NCc2ccccc2O)c(Cl)c1 ZINC001648497776 1092224730 /nfs/dbraw/zinc/22/47/30/1092224730.db2.gz HLBBVCJLMSUVOF-UHFFFAOYSA-N 0 0 334.759 2.547 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-c2cn[nH]c2)cn1 ZINC001648608419 1092237594 /nfs/dbraw/zinc/23/75/94/1092237594.db2.gz FWBHZWLHXPJYFS-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN CN1CCOc2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001648608832 1092238725 /nfs/dbraw/zinc/23/87/25/1092238725.db2.gz NFMPMDCBCPAMKC-UHFFFAOYSA-N 0 0 332.787 2.804 10 10 EFCERN CCOC(=O)Cc1cccc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 ZINC001648690668 1092254003 /nfs/dbraw/zinc/25/40/03/1092254003.db2.gz VKSYAXWHIBPJJU-FPLPWBNLSA-N 0 0 340.379 2.569 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CSCC(=O)c2ccccc2)c1 ZINC001584983132 1092345501 /nfs/dbraw/zinc/34/55/01/1092345501.db2.gz FMFCTPBKOSPLKQ-UHFFFAOYSA-N 0 0 329.421 2.933 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCCO2 ZINC001167508771 1092507604 /nfs/dbraw/zinc/50/76/04/1092507604.db2.gz NTHRHNIBGPRIPW-LBPRGKRZSA-N 0 0 327.380 2.843 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccc[n+]([O-])c2)cc1 ZINC001585845624 1092593802 /nfs/dbraw/zinc/59/38/02/1092593802.db2.gz QEYPJDMARYYUTK-UHFFFAOYSA-N 0 0 349.390 2.721 10 10 EFCERN COc1ccccc1OCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001586794764 1092759908 /nfs/dbraw/zinc/75/99/08/1092759908.db2.gz RHUIDACSRYQXMM-UHFFFAOYSA-N 0 0 342.355 2.666 10 10 EFCERN Cc1cc(Br)ncc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001586886789 1092766599 /nfs/dbraw/zinc/76/65/99/1092766599.db2.gz LHPKQJPZDQXXFL-UHFFFAOYSA-N 0 0 337.173 2.745 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(O)c1O ZINC001587477831 1092815822 /nfs/dbraw/zinc/81/58/22/1092815822.db2.gz ICFBZAWLDYHYEE-UHFFFAOYSA-N 0 0 326.352 2.551 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OC(F)(F)F)cc1 ZINC001587728030 1092845417 /nfs/dbraw/zinc/84/54/17/1092845417.db2.gz HAMFYFUKLFFUFT-UHFFFAOYSA-N 0 0 341.285 2.855 10 10 EFCERN Cc1ncc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(N)n1 ZINC001588145780 1092897647 /nfs/dbraw/zinc/89/76/47/1092897647.db2.gz OFLQTGWTPGNMNW-UHFFFAOYSA-N 0 0 338.367 2.508 10 10 EFCERN O=C(c1coc(CO)c1)N(Cc1ccco1)Cc1ccccc1O ZINC001588145388 1092897786 /nfs/dbraw/zinc/89/77/86/1092897786.db2.gz FQWLCANIXLZZCN-UHFFFAOYSA-N 0 0 327.336 2.913 10 10 EFCERN CCOC(=O)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC001588155850 1092899123 /nfs/dbraw/zinc/89/91/23/1092899123.db2.gz IAXJQRBDCAEFNP-QGZVFWFLSA-N 0 0 327.380 2.698 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccc(NC(C)=O)cn1 ZINC001588171777 1092899237 /nfs/dbraw/zinc/89/92/37/1092899237.db2.gz CPPLXLOGMKQXGS-UHFFFAOYSA-N 0 0 327.384 2.798 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)c1nccn(C(F)F)c1=O ZINC001650089007 1092947845 /nfs/dbraw/zinc/94/78/45/1092947845.db2.gz VXZAEZVSOGTKRS-UHFFFAOYSA-N 0 0 334.370 2.875 10 10 EFCERN CCc1c[nH]c2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c12 ZINC001650857201 1093501944 /nfs/dbraw/zinc/50/19/44/1093501944.db2.gz TUALJVODXGBBPK-UHFFFAOYSA-N 0 0 337.427 2.856 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001651222511 1093540675 /nfs/dbraw/zinc/54/06/75/1093540675.db2.gz JBRAGOQUSRPGKU-UHFFFAOYSA-N 0 0 349.390 2.702 10 10 EFCERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225684 1093542222 /nfs/dbraw/zinc/54/22/22/1093542222.db2.gz UDTLKEPDJSGCBX-GUYCJALGSA-N 0 0 327.380 2.916 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1(Cc2ccccc2)CCOCC1 ZINC001651225310 1093542524 /nfs/dbraw/zinc/54/25/24/1093542524.db2.gz FFZASVUBKHCTJW-UHFFFAOYSA-N 0 0 341.407 2.754 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001593739291 1094410126 /nfs/dbraw/zinc/41/01/26/1094410126.db2.gz JSGBURRSADZXJO-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN Cc1nc(-c2ccccn2)sc1C(=O)NCc1cccc(O)c1O ZINC001593739257 1094410145 /nfs/dbraw/zinc/41/01/45/1094410145.db2.gz JKOYHGUVRQDTLL-UHFFFAOYSA-N 0 0 341.392 2.855 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(Cl)c2c(c1)OCCCO2 ZINC001593869835 1094412591 /nfs/dbraw/zinc/41/25/91/1094412591.db2.gz XJDPHSBPCSHSRK-UHFFFAOYSA-N 0 0 349.770 2.843 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)cc1 ZINC001595312807 1094460706 /nfs/dbraw/zinc/46/07/06/1094460706.db2.gz DDSNNYCVFIOCDU-CQSZACIVSA-N 0 0 346.774 2.966 10 10 EFCERN Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)cccc1C(N)=O ZINC001595509506 1094473749 /nfs/dbraw/zinc/47/37/49/1094473749.db2.gz IBKKESHZDRDRPY-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC001595493841 1094473820 /nfs/dbraw/zinc/47/38/20/1094473820.db2.gz LEUKNXHEUBDENI-XJKSGUPXSA-N 0 0 348.428 2.634 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC001595493833 1094473829 /nfs/dbraw/zinc/47/38/29/1094473829.db2.gz LEUKNXHEUBDENI-BBRMVZONSA-N 0 0 348.428 2.634 10 10 EFCERN CCOC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001595521050 1094475484 /nfs/dbraw/zinc/47/54/84/1094475484.db2.gz VKRJKASXNLWMGN-UHFFFAOYSA-N 0 0 341.327 2.673 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ncc(C(F)(F)F)s1 ZINC001595751551 1094490866 /nfs/dbraw/zinc/49/08/66/1094490866.db2.gz KGJVPIMQCBONGH-UHFFFAOYSA-N 0 0 332.303 2.546 10 10 EFCERN O=C(NCc1ccccc1O)c1nnn(-c2ccccc2)c1C(F)F ZINC001595792676 1094494583 /nfs/dbraw/zinc/49/45/83/1094494583.db2.gz LDHGHROWYOVUPQ-UHFFFAOYSA-N 0 0 344.321 2.841 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(Br)c2nccn2c1 ZINC001595793357 1094495499 /nfs/dbraw/zinc/49/54/99/1094495499.db2.gz VBHARSAZQLDMCT-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN Cc1ccc(NCCNC(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001597175478 1094570058 /nfs/dbraw/zinc/57/00/58/1094570058.db2.gz OVVJXRALXMWESG-UHFFFAOYSA-N 0 0 343.408 2.858 10 10 EFCERN COCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000782959930 1094580984 /nfs/dbraw/zinc/58/09/84/1094580984.db2.gz DKATZEQRUFCFQD-HNNXBMFYSA-N 0 0 331.412 2.791 10 10 EFCERN O=C(c1cccc(O)c1O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC001597704150 1094615416 /nfs/dbraw/zinc/61/54/16/1094615416.db2.gz MXXIRXGTAIJUMC-MRXNPFEDSA-N 0 0 327.380 2.511 10 10 EFCERN Cn1ncc2c1C[C@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001597742856 1094618689 /nfs/dbraw/zinc/61/86/89/1094618689.db2.gz QDSCIUMVKREFNH-CQSZACIVSA-N 0 0 335.407 2.700 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c1NC(=O)CO2 ZINC001597742746 1094619003 /nfs/dbraw/zinc/61/90/03/1094619003.db2.gz OKWGRGYLYPMTAC-UHFFFAOYSA-N 0 0 348.358 2.806 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cc(F)c(F)cc3N)ccc21 ZINC001597855998 1094631480 /nfs/dbraw/zinc/63/14/80/1094631480.db2.gz TYRITBUYECCNCZ-UHFFFAOYSA-N 0 0 331.366 2.859 10 10 EFCERN COc1ccc(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001597894691 1094637343 /nfs/dbraw/zinc/63/73/43/1094637343.db2.gz GCURJSYSCOIKLQ-UHFFFAOYSA-N 0 0 330.365 2.993 10 10 EFCERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)[C@@H](C)O1 ZINC000782976189 1094657674 /nfs/dbraw/zinc/65/76/74/1094657674.db2.gz GJMYEWDFUNOFRM-IJLUTSLNSA-N 0 0 329.491 2.833 10 10 EFCERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)[C@H](C)O1 ZINC000782976190 1094658088 /nfs/dbraw/zinc/65/80/88/1094658088.db2.gz GJMYEWDFUNOFRM-UTUOFQBUSA-N 0 0 329.491 2.833 10 10 EFCERN Cn1cnc(/C=C/C(=O)N2CCc3c2cccc3Br)c1 ZINC001598144984 1094658306 /nfs/dbraw/zinc/65/83/06/1094658306.db2.gz FDIZFKCRWLMYIE-AATRIKPKSA-N 0 0 332.201 2.785 10 10 EFCERN COC1(C)CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC001598414663 1094676914 /nfs/dbraw/zinc/67/69/14/1094676914.db2.gz QYUCZQAVOIPRQZ-UHFFFAOYSA-N 0 0 340.423 2.696 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCN(C/C=C/Cl)C2CC2)cc1 ZINC001481198806 1095274836 /nfs/dbraw/zinc/27/48/36/1095274836.db2.gz DLRSCVGCEFTFLO-LPDFMGRNSA-N 0 0 349.822 2.796 10 10 EFCERN CCc1cccc2c1N(CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001167859550 1095630792 /nfs/dbraw/zinc/63/07/92/1095630792.db2.gz IXWQCMYYRFYTRE-UHFFFAOYSA-N 0 0 337.467 2.994 10 10 EFCERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC001603492661 1096539241 /nfs/dbraw/zinc/53/92/41/1096539241.db2.gz LILWKXQUDDEOKR-YPMHNXCESA-N 0 0 335.400 2.646 10 10 EFCERN COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001607770939 1097726863 /nfs/dbraw/zinc/72/68/63/1097726863.db2.gz KXNUEHWDNNXPTK-XLVZXTRVSA-N 0 0 326.396 2.942 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCc1c[nH]c2ccc(F)cc12 ZINC001626204897 1098404650 /nfs/dbraw/zinc/40/46/50/1098404650.db2.gz QJJXWRPOEYJOFV-UHFFFAOYSA-N 0 0 328.343 2.620 10 10 EFCERN CCOc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC001609960911 1098506958 /nfs/dbraw/zinc/50/69/58/1098506958.db2.gz GEJPGFXKAJCCBX-UHFFFAOYSA-N 0 0 335.331 2.574 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nsc2ccccc21 ZINC001611432289 1099010572 /nfs/dbraw/zinc/01/05/72/1099010572.db2.gz ZLZKYZMFGXPVPX-NSHDSACASA-N 0 0 342.420 2.997 10 10 EFCERN CCc1c(NC(=O)Cc2ccc(O)c(O)c2)n[nH]c1-c1ccncc1 ZINC001611529975 1099017687 /nfs/dbraw/zinc/01/76/87/1099017687.db2.gz IZICYPIPPQLFSM-UHFFFAOYSA-N 0 0 338.367 2.627 10 10 EFCERN Cn1cc(CCNC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001611596214 1099024275 /nfs/dbraw/zinc/02/42/75/1099024275.db2.gz GRWAAFOWKQOTKO-UHFFFAOYSA-N 0 0 328.343 2.701 10 10 EFCERN C[S@@](=O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001612023410 1099041217 /nfs/dbraw/zinc/04/12/17/1099041217.db2.gz MXVCIKPAWXUZFR-HSZRJFAPSA-N 0 0 332.381 2.616 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001612538280 1099062435 /nfs/dbraw/zinc/06/24/35/1099062435.db2.gz UHEOFYFWOJYYMR-DZGCQCFKSA-N 0 0 330.432 2.744 10 10 EFCERN COc1ccc2ncc([N+](=O)[O-])c(NCc3c(O)cccc3O)c2c1 ZINC001612970098 1099085748 /nfs/dbraw/zinc/08/57/48/1099085748.db2.gz RQYCSUPJQRSSNK-UHFFFAOYSA-N 0 0 341.323 2.597 10 10 EFCERN CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C1CC1 ZINC001614012637 1099117786 /nfs/dbraw/zinc/11/77/86/1099117786.db2.gz WUTJJBQPALMHLK-UHFFFAOYSA-N 0 0 341.459 2.901 10 10 EFCERN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001616172546 1099169088 /nfs/dbraw/zinc/16/90/88/1099169088.db2.gz BDPIKSBOBUQTKY-JTQLQIEISA-N 0 0 334.376 2.699 10 10 EFCERN COC(=O)c1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001617048774 1099209105 /nfs/dbraw/zinc/20/91/05/1099209105.db2.gz ZXRORIXLHSOWBS-UHFFFAOYSA-N 0 0 344.386 2.917 10 10 EFCERN CC(=O)NCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001617072336 1099210082 /nfs/dbraw/zinc/21/00/82/1099210082.db2.gz GZRBPQVBHHDNRW-UHFFFAOYSA-N 0 0 339.355 2.737 10 10 EFCERN CCC1(O)CN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001617867008 1099263755 /nfs/dbraw/zinc/26/37/55/1099263755.db2.gz UPDXNPMSNDZPRQ-UHFFFAOYSA-N 0 0 340.423 2.812 10 10 EFCERN O=C(c1cnc2nccn2c1)N(Cc1ccco1)Cc1ccccc1O ZINC001622309301 1099500604 /nfs/dbraw/zinc/50/06/04/1099500604.db2.gz HQHKPSBYISURCY-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN O=C(c1ccc(CO)nc1)N(Cc1ccco1)Cc1ccccc1O ZINC001622309455 1099500752 /nfs/dbraw/zinc/50/07/52/1099500752.db2.gz KIQODHLBGJRZQQ-UHFFFAOYSA-N 0 0 338.363 2.715 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1-c1cnccn1 ZINC001622317470 1099500835 /nfs/dbraw/zinc/50/08/35/1099500835.db2.gz LRLRRACNUWSECY-UHFFFAOYSA-N 0 0 336.395 2.862 10 10 EFCERN C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1c(F)cccc1Cl ZINC001622547275 1099524041 /nfs/dbraw/zinc/52/40/41/1099524041.db2.gz WNLKLVMVUZTJLX-XLKFXECMSA-N 0 0 339.750 2.742 10 10 EFCERN COc1c(F)cc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1F ZINC001623315610 1099574630 /nfs/dbraw/zinc/57/46/30/1099574630.db2.gz FMHYFXHXMLDUNF-UHFFFAOYSA-N 0 0 335.354 2.552 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C3(CC(C)=O)CCC3)CC2)cc1 ZINC001623429450 1099587462 /nfs/dbraw/zinc/58/74/62/1099587462.db2.gz BRVYSYUHVOPIBK-UHFFFAOYSA-N 0 0 344.455 2.883 10 10 EFCERN CCCN1C[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1=O ZINC001623452541 1099589715 /nfs/dbraw/zinc/58/97/15/1099589715.db2.gz YASBVMAQMPYLGO-QGZVFWFLSA-N 0 0 345.487 2.750 10 10 EFCERN O=C(c1ncc(Cl)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001623639887 1099609968 /nfs/dbraw/zinc/60/99/68/1099609968.db2.gz BBKXNWRQVPIPPX-CQSZACIVSA-N 0 0 347.802 2.657 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CS(C)(=O)=O ZINC001623925747 1099640788 /nfs/dbraw/zinc/64/07/88/1099640788.db2.gz SZEZDEMHDUJXNL-AWEZNQCLSA-N 0 0 347.436 2.527 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CS(C)(=O)=O ZINC001623925748 1099640955 /nfs/dbraw/zinc/64/09/55/1099640955.db2.gz SZEZDEMHDUJXNL-CQSZACIVSA-N 0 0 347.436 2.527 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)C1CC1 ZINC001623928078 1099641175 /nfs/dbraw/zinc/64/11/75/1099641175.db2.gz DNIQFKQXIBFSFR-LLVKDONJSA-N 0 0 339.819 2.983 10 10 EFCERN CN(C)C(=O)c1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624357994 1099686191 /nfs/dbraw/zinc/68/61/91/1099686191.db2.gz MLTOHRZJROVTNZ-UHFFFAOYSA-N 0 0 339.355 2.803 10 10 EFCERN COc1c(F)cc(NC(=O)Cc2ccc(O)c(O)c2)c(OC)c1F ZINC001624472990 1099696239 /nfs/dbraw/zinc/69/62/39/1099696239.db2.gz BHXKKGCPIFNGNF-UHFFFAOYSA-N 0 0 339.294 2.574 10 10 EFCERN O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccc(N2CCSCC2)cc1 ZINC001624892721 1099744146 /nfs/dbraw/zinc/74/41/46/1099744146.db2.gz ODPZMVBOIGFCHQ-AEFFLSMTSA-N 0 0 348.512 2.797 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001624955006 1099753729 /nfs/dbraw/zinc/75/37/29/1099753729.db2.gz OYZQVCRKGJEWOV-NSHDSACASA-N 0 0 344.367 2.984 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001624954110 1099753951 /nfs/dbraw/zinc/75/39/51/1099753951.db2.gz DDKOZYLIMKLATI-ZDUSSCGKSA-N 0 0 337.379 2.645 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3nccn3C(C)C)CC2)cc1 ZINC001625248711 1099785909 /nfs/dbraw/zinc/78/59/09/1099785909.db2.gz KRTZWGBGLOTYPU-UHFFFAOYSA-N 0 0 342.443 2.825 10 10 EFCERN Cc1csc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(F)(F)F)n1 ZINC001625319882 1099792754 /nfs/dbraw/zinc/79/27/54/1099792754.db2.gz CNFGOCGROKVYFG-GFCCVEGCSA-N 0 0 346.330 2.825 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001625635220 1099835652 /nfs/dbraw/zinc/83/56/52/1099835652.db2.gz RDJZIWJAANNUGK-QGZVFWFLSA-N 0 0 349.333 2.519 10 10 EFCERN CC(C)OCc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1O ZINC001625712884 1099843318 /nfs/dbraw/zinc/84/33/18/1099843318.db2.gz MCWFMPWFFIERSJ-UHFFFAOYSA-N 0 0 331.368 2.910 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC001626572504 1099893072 /nfs/dbraw/zinc/89/30/72/1099893072.db2.gz UNXGWMWLYDUURD-OAHLLOKOSA-N 0 0 339.355 2.538 10 10 EFCERN C/C(=C\C(=O)NCc1cccc(Br)c1O)c1cnccn1 ZINC001626821576 1099922806 /nfs/dbraw/zinc/92/28/06/1099922806.db2.gz BQKXBDMYNXDRLP-JXMROGBWSA-N 0 0 348.200 2.664 10 10 EFCERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001626837756 1099923959 /nfs/dbraw/zinc/92/39/59/1099923959.db2.gz DUTHPRHYWOJEIT-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccc(O)cc1O ZINC001626837968 1099923990 /nfs/dbraw/zinc/92/39/90/1099923990.db2.gz LUYHOPDYRLJSMM-UHFFFAOYSA-N 0 0 335.306 2.655 10 10 EFCERN COc1ccc(SCCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001626837852 1099924560 /nfs/dbraw/zinc/92/45/60/1099924560.db2.gz HAWSMKRMEYKIEG-UHFFFAOYSA-N 0 0 333.409 2.905 10 10 EFCERN COC[C@H](C)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001626978415 1099943125 /nfs/dbraw/zinc/94/31/25/1099943125.db2.gz PFMAZDOKWCZRBK-CYBMUJFWSA-N 0 0 328.412 2.919 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CN2CCCC2)o1 ZINC001627028442 1099948559 /nfs/dbraw/zinc/94/85/59/1099948559.db2.gz HYYAZPQJZMTMHQ-UHFFFAOYSA-N 0 0 349.427 2.997 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001627026787 1099949059 /nfs/dbraw/zinc/94/90/59/1099949059.db2.gz XRCIPZPXPQVRBK-CYBMUJFWSA-N 0 0 345.395 2.620 10 10 EFCERN Nc1nc(Cl)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001627073786 1099954666 /nfs/dbraw/zinc/95/46/66/1099954666.db2.gz USAALTWDQZYMEX-UHFFFAOYSA-N 0 0 328.759 2.501 10 10 EFCERN CCCN(C(=O)c1cccc(O)c1O)[C@H](C)C(=O)Nc1ccccc1 ZINC001627136150 1099961185 /nfs/dbraw/zinc/96/11/85/1099961185.db2.gz FWVHJKSNLISUKZ-CYBMUJFWSA-N 0 0 342.395 2.977 10 10 EFCERN O=C(NCCCSc1nccs1)c1cccc2nc[nH]c(=O)c21 ZINC001627199061 1099967711 /nfs/dbraw/zinc/96/77/11/1099967711.db2.gz SEMKNNKBWYBIHK-UHFFFAOYSA-N 0 0 346.437 2.704 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2nsnc21 ZINC001627690089 1100022572 /nfs/dbraw/zinc/02/25/72/1100022572.db2.gz VWRAIBAFGUWIHX-UHFFFAOYSA-N 0 0 326.425 2.996 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC001627737928 1100028832 /nfs/dbraw/zinc/02/88/32/1100028832.db2.gz MMCDXMNCIOZEJZ-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N[C@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC001627913233 1100042457 /nfs/dbraw/zinc/04/24/57/1100042457.db2.gz RSRDHXGDCBYIOS-LLVKDONJSA-N 0 0 345.830 2.708 10 10 EFCERN Cn1cc(Cl)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001627927371 1100044131 /nfs/dbraw/zinc/04/41/31/1100044131.db2.gz HCUNEEYSZNDNIF-UHFFFAOYSA-N 0 0 337.788 2.629 10 10 EFCERN Cc1ccn2ncc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)c2n1 ZINC001628951173 1100151494 /nfs/dbraw/zinc/15/14/94/1100151494.db2.gz RYBHTJBDGJKTBF-UHFFFAOYSA-N 0 0 349.438 2.910 10 10 EFCERN COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)cc2[nH]ccc21 ZINC001628977186 1100154840 /nfs/dbraw/zinc/15/48/40/1100154840.db2.gz USTRHXQMGXYMHL-UHFFFAOYSA-N 0 0 340.335 2.547 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001629071027 1100167543 /nfs/dbraw/zinc/16/75/43/1100167543.db2.gz VNQGEBAGNCTGRY-AWEZNQCLSA-N 0 0 347.436 2.910 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cncc(O)c1 ZINC001629107412 1100170069 /nfs/dbraw/zinc/17/00/69/1100170069.db2.gz IFHKRJOKLRIHQU-UHFFFAOYSA-N 0 0 331.335 2.749 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cc(=O)cc[nH]2)c1 ZINC001629394579 1100206663 /nfs/dbraw/zinc/20/66/63/1100206663.db2.gz JANJBBKGEXURFO-UHFFFAOYSA-N 0 0 349.390 2.525 10 10 EFCERN Cn1cnnc1Sc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001629447928 1100212116 /nfs/dbraw/zinc/21/21/16/1100212116.db2.gz DYBBUWQZQCMJJM-UHFFFAOYSA-N 0 0 332.410 2.986 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)cc1 ZINC001629532644 1100220648 /nfs/dbraw/zinc/22/06/48/1100220648.db2.gz NTRGALFJFRJIDJ-LBPRGKRZSA-N 0 0 328.332 2.599 10 10 EFCERN CC1(C)CCC[C@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001629638885 1100230818 /nfs/dbraw/zinc/23/08/18/1100230818.db2.gz SGDCFUATXYIWML-KRWDZBQOSA-N 0 0 332.404 2.910 10 10 EFCERN O=C(NCCc1cccc2c1OC(F)(F)O2)C1=CC(=O)CS1 ZINC001629692050 1100236468 /nfs/dbraw/zinc/23/64/68/1100236468.db2.gz JJARRSGCUPOBJR-UHFFFAOYSA-N 0 0 327.308 2.748 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cccc(Nc2cnccn2)c1 ZINC001630273058 1100288469 /nfs/dbraw/zinc/28/84/69/1100288469.db2.gz IPDIBZPYSDOUSH-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN CC1=NN(c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)CC1 ZINC001630302256 1100292265 /nfs/dbraw/zinc/29/22/65/1100292265.db2.gz VIUPVOYASVEHHZ-UHFFFAOYSA-N 0 0 325.368 2.614 10 10 EFCERN Cc1ccc2[nH]c(CNC(=O)c3ccc(N=NC(N)=O)cc3)nc2c1 ZINC001630353511 1100297764 /nfs/dbraw/zinc/29/77/64/1100297764.db2.gz YBTNUNOAVHCJER-UHFFFAOYSA-N 0 0 336.355 2.964 10 10 EFCERN O=C(NCCc1ccccc1O)c1cc2cc(O)c(O)cc2s1 ZINC001630359839 1100298839 /nfs/dbraw/zinc/29/88/39/1100298839.db2.gz QZOJDMHSNINELI-UHFFFAOYSA-N 0 0 329.377 2.991 10 10 EFCERN COCCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001630497659 1100311489 /nfs/dbraw/zinc/31/14/89/1100311489.db2.gz SUUOVHYFZCNOEE-UHFFFAOYSA-N 0 0 331.368 2.694 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)c2cccs2)cc1 ZINC001630513956 1100312971 /nfs/dbraw/zinc/31/29/71/1100312971.db2.gz FMVFISSIDWMLFN-GFCCVEGCSA-N 0 0 332.385 2.764 10 10 EFCERN Cc1nc(C(=O)NCc2ccc3cccnc3c2O)c2ccccn12 ZINC001630533105 1100315078 /nfs/dbraw/zinc/31/50/78/1100315078.db2.gz WDFYWMBSDMQNHB-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN CCc1ncc(Cl)c(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001630532705 1100315186 /nfs/dbraw/zinc/31/51/86/1100315186.db2.gz ORXGODCMIHYPIM-UHFFFAOYSA-N 0 0 342.786 2.876 10 10 EFCERN COC(=O)Cc1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001630824885 1100344214 /nfs/dbraw/zinc/34/42/14/1100344214.db2.gz HJWJOEGFKFPTFE-UHFFFAOYSA-N 0 0 340.339 2.817 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(CCCO)Cc1cccc(Cl)c1 ZINC001630866190 1100346737 /nfs/dbraw/zinc/34/67/37/1100346737.db2.gz ZDHYPFJICLWMNL-UHFFFAOYSA-N 0 0 349.814 2.705 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)sc1C=O ZINC001631069350 1100366785 /nfs/dbraw/zinc/36/67/85/1100366785.db2.gz GFLQHYNDAAOHBA-UHFFFAOYSA-N 0 0 344.436 2.636 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2nc[nH]c(=O)c21 ZINC001631438432 1100399766 /nfs/dbraw/zinc/39/97/66/1100399766.db2.gz FMDRWLZGZMHSQQ-UHFFFAOYSA-N 0 0 349.390 2.850 10 10 EFCERN COC(=O)/C=C\c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC001631542979 1100408859 /nfs/dbraw/zinc/40/88/59/1100408859.db2.gz OMYRBEVRQAXPEV-WDDYJBPVSA-N 0 0 345.351 2.671 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631646879 1100416057 /nfs/dbraw/zinc/41/60/57/1100416057.db2.gz JGFLKLNDAUNATM-GUYCJALGSA-N 0 0 346.387 2.701 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC001631795216 1100428641 /nfs/dbraw/zinc/42/86/41/1100428641.db2.gz USGTUVRCAFLQFM-GFCCVEGCSA-N 0 0 326.360 2.592 10 10 EFCERN CCc1cc(=O)c2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2[nH]1 ZINC001631931043 1100440783 /nfs/dbraw/zinc/44/07/83/1100440783.db2.gz PCXMDEAHUGOPDX-UHFFFAOYSA-N 0 0 338.363 2.683 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC1(c2ccc(F)cc2F)CC1 ZINC001632035317 1100448339 /nfs/dbraw/zinc/44/83/39/1100448339.db2.gz RYJOUPMUCRBNAT-UHFFFAOYSA-N 0 0 333.334 2.767 10 10 EFCERN CCCCCn1cc(CNC(=O)Cc2ccc(O)c(O)c2)c(C)n1 ZINC001632219119 1100460603 /nfs/dbraw/zinc/46/06/03/1100460603.db2.gz ASRROXHFTSANHW-UHFFFAOYSA-N 0 0 331.416 2.652 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCc1coc(-c2ccccc2)n1 ZINC001632222329 1100460615 /nfs/dbraw/zinc/46/06/15/1100460615.db2.gz XIBLFFIKDHXYOB-UHFFFAOYSA-N 0 0 338.363 2.654 10 10 EFCERN COc1cc(OC)c(C(=O)NCc2cc(Cl)ccc2O)cc1C=O ZINC001632228341 1100461748 /nfs/dbraw/zinc/46/17/48/1100461748.db2.gz OGDGVVLOYHPXNO-UHFFFAOYSA-N 0 0 349.770 2.805 10 10 EFCERN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001632246074 1100461860 /nfs/dbraw/zinc/46/18/60/1100461860.db2.gz ACAQRHLUOPEMHQ-CQSZACIVSA-N 0 0 347.436 2.742 10 10 EFCERN C[C@H](NC(=O)c1cnc(-c2ncccn2)s1)c1ccccc1O ZINC001632250613 1100463015 /nfs/dbraw/zinc/46/30/15/1100463015.db2.gz YCSYAQVGUMZNFZ-JTQLQIEISA-N 0 0 326.381 2.797 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001632523082 1100480376 /nfs/dbraw/zinc/48/03/76/1100480376.db2.gz XXOKOSZHZONKFR-YJBOKZPZSA-N 0 0 345.370 2.816 10 10 EFCERN CCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(O)c1 ZINC001632611759 1100488852 /nfs/dbraw/zinc/48/88/52/1100488852.db2.gz JRAUVCHVMFJDTQ-HNNXBMFYSA-N 0 0 340.423 2.972 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2cnccc21 ZINC001632680860 1100493053 /nfs/dbraw/zinc/49/30/53/1100493053.db2.gz GYLBOLGWWLSKIQ-CYBMUJFWSA-N 0 0 336.391 2.936 10 10 EFCERN COCc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccc1 ZINC001632708896 1100495497 /nfs/dbraw/zinc/49/54/97/1100495497.db2.gz ICCDMQQNZSTFHQ-UHFFFAOYSA-N 0 0 349.390 2.880 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001632953369 1100510587 /nfs/dbraw/zinc/51/05/87/1100510587.db2.gz NOCISXOYWNENML-CQSZACIVSA-N 0 0 335.306 2.590 10 10 EFCERN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N)c1F ZINC001633315238 1100535643 /nfs/dbraw/zinc/53/56/43/1100535643.db2.gz IPQHGQCDIGFHBJ-NSHDSACASA-N 0 0 331.391 2.974 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)c(O)c1O ZINC001633329733 1100536685 /nfs/dbraw/zinc/53/66/85/1100536685.db2.gz YRBYLZZUHXBLID-SFHVURJKSA-N 0 0 342.351 2.614 10 10 EFCERN CC(C)(COCc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001633598800 1100552546 /nfs/dbraw/zinc/55/25/46/1100552546.db2.gz BJBHHDXCARPODY-UHFFFAOYSA-N 0 0 329.396 2.957 10 10 EFCERN COc1ccc2c(CC(=O)NCc3cc(O)ccc3O)coc2c1 ZINC001633595065 1100552584 /nfs/dbraw/zinc/55/25/84/1100552584.db2.gz GQBZCFDYFVYOBZ-UHFFFAOYSA-N 0 0 327.336 2.712 10 10 EFCERN Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1-c1ccc(F)cc1 ZINC001633599112 1100552917 /nfs/dbraw/zinc/55/29/17/1100552917.db2.gz OXVWMSOQMHKRTH-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN COc1ccc(CCCC(=O)NCc2cc(O)ccc2O)c(OC)c1 ZINC001633598953 1100553069 /nfs/dbraw/zinc/55/30/69/1100553069.db2.gz IYLRJIVDJNIYNI-UHFFFAOYSA-N 0 0 345.395 2.754 10 10 EFCERN O=C(N[C@H](CCO)c1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001633612530 1100554513 /nfs/dbraw/zinc/55/45/13/1100554513.db2.gz GJHWAPNUFJABAD-SNVBAGLBSA-N 0 0 333.365 2.759 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nonc2C)c1 ZINC001633729586 1100561483 /nfs/dbraw/zinc/56/14/83/1100561483.db2.gz XVOWKENWUYIKCO-UHFFFAOYSA-N 0 0 338.367 2.528 10 10 EFCERN COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001633751697 1100563242 /nfs/dbraw/zinc/56/32/42/1100563242.db2.gz GCQVVDSGOQCRNH-WKILWMFISA-N 0 0 326.396 2.776 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001633819494 1100567719 /nfs/dbraw/zinc/56/77/19/1100567719.db2.gz QNKCVBCMKUONIP-LLVKDONJSA-N 0 0 338.363 2.753 10 10 EFCERN CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001634313483 1100599578 /nfs/dbraw/zinc/59/95/78/1100599578.db2.gz LNWYGTQAPYANDI-UHFFFAOYSA-N 0 0 339.355 2.769 10 10 EFCERN COCCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001634689831 1100623913 /nfs/dbraw/zinc/62/39/13/1100623913.db2.gz NXZRLXBGTLHAPD-KRWDZBQOSA-N 0 0 343.423 2.794 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCCO[C@@H]2CCCCO2)cc1 ZINC001634703517 1100624672 /nfs/dbraw/zinc/62/46/72/1100624672.db2.gz FFGGMTFFCMGWQK-CQSZACIVSA-N 0 0 334.376 2.512 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001635681356 1100674400 /nfs/dbraw/zinc/67/44/00/1100674400.db2.gz MMVUKPKNCRWOMN-UHFFFAOYSA-N 0 0 342.351 2.740 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001635843500 1100684078 /nfs/dbraw/zinc/68/40/78/1100684078.db2.gz VGUJHICAULFNCU-OAHLLOKOSA-N 0 0 343.379 2.586 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001635896122 1100686600 /nfs/dbraw/zinc/68/66/00/1100686600.db2.gz GMRMOIKSBICBQA-NWDGAFQWSA-N 0 0 329.318 2.901 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1(c2nccc3ccccc32)CC1 ZINC001635960080 1100689426 /nfs/dbraw/zinc/68/94/26/1100689426.db2.gz WMIKLMMIZMGAOD-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN Cc1sc(Br)nc1C(=O)NCc1ccc(O)c(O)c1 ZINC001635960061 1100689727 /nfs/dbraw/zinc/68/97/27/1100689727.db2.gz VQGHZQFWGTURMT-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN NC(=O)c1ccc(/C=C\C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001635968951 1100690410 /nfs/dbraw/zinc/69/04/10/1100690410.db2.gz KCNYYPQYWKBVFM-YFHOEESVSA-N 0 0 336.347 2.567 10 10 EFCERN COc1cccc(O)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001635964524 1100690499 /nfs/dbraw/zinc/69/04/99/1100690499.db2.gz RPUKZJASYCDIDI-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN COc1cccc(C(F)(F)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001636022916 1100694769 /nfs/dbraw/zinc/69/47/69/1100694769.db2.gz UJSIDQDACDVOPX-UHFFFAOYSA-N 0 0 337.322 2.557 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2nnc(-c3ccco3)o2)c1 ZINC001636061067 1100697270 /nfs/dbraw/zinc/69/72/70/1100697270.db2.gz DEPHFRMZMUCSKL-VIFPVBQESA-N 0 0 329.312 2.535 10 10 EFCERN O=C(NCc1ccccc1O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001636057520 1100697492 /nfs/dbraw/zinc/69/74/92/1100697492.db2.gz DZVAXEDYURNWRZ-UHFFFAOYSA-N 0 0 344.321 2.516 10 10 EFCERN O=C(CSc1nc2ccccc2o1)NCc1cccc(O)c1O ZINC001637035259 1100752945 /nfs/dbraw/zinc/75/29/45/1100752945.db2.gz PNPFBXOOLDWZFP-UHFFFAOYSA-N 0 0 330.365 2.648 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001637122473 1100758443 /nfs/dbraw/zinc/75/84/43/1100758443.db2.gz IJJVIZIWDPDFMJ-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cc(O)ccc2O)c1 ZINC001637126278 1100758464 /nfs/dbraw/zinc/75/84/64/1100758464.db2.gz REXSEXLTSWGSCQ-GDBMZVCRSA-N 0 0 343.379 2.535 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)cc1O ZINC001637125859 1100758503 /nfs/dbraw/zinc/75/85/03/1100758503.db2.gz FHFPYMWKTPVZGI-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN CCn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2ccccc2)n1 ZINC001637130232 1100759110 /nfs/dbraw/zinc/75/91/10/1100759110.db2.gz YVQVBBMZJSOMIR-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN CC[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)OCCc2ccccc21 ZINC001637226615 1100765997 /nfs/dbraw/zinc/76/59/97/1100765997.db2.gz VDBFWFILEIBFJM-HXUWFJFHSA-N 0 0 341.407 2.635 10 10 EFCERN C/C(=C\C(=O)N1CCCc2c3ncn(C)c3ccc21)c1cnccn1 ZINC001637637580 1100795587 /nfs/dbraw/zinc/79/55/87/1100795587.db2.gz QCUOOKRCIYMYLP-JLHYYAGUSA-N 0 0 333.395 2.746 10 10 EFCERN Cc1ccc(-c2nc(CNC(=O)Cc3ccc(O)c(O)c3)co2)cc1 ZINC001637711354 1100800882 /nfs/dbraw/zinc/80/08/82/1100800882.db2.gz RYSQEXRUICYLLT-UHFFFAOYSA-N 0 0 338.363 2.920 10 10 EFCERN CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001637951139 1100820274 /nfs/dbraw/zinc/82/02/74/1100820274.db2.gz DIGMRDQZVYXCMJ-UHFFFAOYSA-N 0 0 347.375 2.847 10 10 EFCERN COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001638134724 1100835802 /nfs/dbraw/zinc/83/58/02/1100835802.db2.gz YJWAKAHVXPIBDE-OTVXOJSOSA-N 0 0 344.386 2.915 10 10 EFCERN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(-c2ccoc2)n1 ZINC001638573244 1100870931 /nfs/dbraw/zinc/87/09/31/1100870931.db2.gz OJHDZCQWDDWWOO-UHFFFAOYSA-N 0 0 348.362 2.864 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnc(-c2ccccn2)s1 ZINC001638862833 1100891939 /nfs/dbraw/zinc/89/19/39/1100891939.db2.gz DXCXTZAAFHVYSN-UHFFFAOYSA-N 0 0 329.356 2.980 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CSc2ccccc2O1 ZINC001638999207 1100903742 /nfs/dbraw/zinc/90/37/42/1100903742.db2.gz WDYNBGPROVPFHS-FWPCIQOSSA-N 0 0 343.404 2.781 10 10 EFCERN CCS(=O)(=O)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001639282406 1100933960 /nfs/dbraw/zinc/93/39/60/1100933960.db2.gz BICAXVVGUONYSW-UHFFFAOYSA-N 0 0 325.411 2.641 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001639289607 1100934211 /nfs/dbraw/zinc/93/42/11/1100934211.db2.gz UWGPHVIDNCICTH-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(C)cc[nH]c1=O ZINC001639341209 1100939376 /nfs/dbraw/zinc/93/93/76/1100939376.db2.gz PQAZUGZVQDLDPB-AWEZNQCLSA-N 0 0 327.428 2.831 10 10 EFCERN O=C(Cn1c(=O)oc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001639383782 1100943054 /nfs/dbraw/zinc/94/30/54/1100943054.db2.gz AIXDSIVCKHJGLH-UHFFFAOYSA-N 0 0 348.358 2.770 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1cc2n[nH]nc2cc1F ZINC001639384385 1100943140 /nfs/dbraw/zinc/94/31/40/1100943140.db2.gz JEISATXHVILPEC-UHFFFAOYSA-N 0 0 336.326 2.886 10 10 EFCERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384404 1100943501 /nfs/dbraw/zinc/94/35/01/1100943501.db2.gz JGRYRBNOGNSWKX-UHFFFAOYSA-N 0 0 325.324 2.722 10 10 EFCERN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCSCC1 ZINC001639384119 1100943532 /nfs/dbraw/zinc/94/35/32/1100943532.db2.gz FVRCBMMHSCIOKZ-ZDUSSCGKSA-N 0 0 330.453 2.599 10 10 EFCERN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001639440970 1100949569 /nfs/dbraw/zinc/94/95/69/1100949569.db2.gz DIPBXJKFZFFRFJ-NSHDSACASA-N 0 0 333.409 2.903 10 10 EFCERN Cc1cc(C)n2ncc(C(=O)NCc3ccc4cccnc4c3O)c2n1 ZINC001639621768 1100967214 /nfs/dbraw/zinc/96/72/14/1100967214.db2.gz SRUQDOBDDCSVSP-UHFFFAOYSA-N 0 0 347.378 2.530 10 10 EFCERN O=C(CN1CCc2ccccc21)NCc1ccc2cccnc2c1O ZINC001639621787 1100967634 /nfs/dbraw/zinc/96/76/34/1100967634.db2.gz UFDZVBRBTUBHBC-UHFFFAOYSA-N 0 0 333.391 2.619 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2c(F)c(F)ccc21 ZINC001639718025 1100977298 /nfs/dbraw/zinc/97/72/98/1100977298.db2.gz PYXOVCFAGCUZGG-QHHAFSJGSA-N 0 0 333.290 2.815 10 10 EFCERN COC(=O)COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001639965764 1100999256 /nfs/dbraw/zinc/99/92/56/1100999256.db2.gz QLUIQXYLHNVWSK-UHFFFAOYSA-N 0 0 349.770 2.527 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cc(Cl)no1 ZINC001640083788 1101012521 /nfs/dbraw/zinc/01/25/21/1101012521.db2.gz HBKRWXQJQHNUEI-UHFFFAOYSA-N 0 0 331.553 2.726 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1c(F)ccnc1F ZINC001640083981 1101013090 /nfs/dbraw/zinc/01/30/90/1101013090.db2.gz KYJROQCXMGNUBU-UHFFFAOYSA-N 0 0 343.127 2.758 10 10 EFCERN CC(C)(CO)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001640125634 1101015981 /nfs/dbraw/zinc/01/59/81/1101015981.db2.gz LNXGHUCUJNIRLW-GOSISDBHSA-N 0 0 329.396 2.516 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000840360887 1101022841 /nfs/dbraw/zinc/02/28/41/1101022841.db2.gz WHEATUMDCRFGQK-DBWMJRBXSA-N 0 0 346.383 2.786 10 10 EFCERN Cc1cc(C(=O)NCc2ccc3nonc3c2)c(C)n1-c1ccccn1 ZINC001640215933 1101024160 /nfs/dbraw/zinc/02/41/60/1101024160.db2.gz WTNZHSQMGSQEFD-UHFFFAOYSA-N 0 0 347.378 2.955 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(N)ccc(F)c3C)C2)cc1 ZINC001640266458 1101030304 /nfs/dbraw/zinc/03/03/04/1101030304.db2.gz WRUJCZJRSLDXSQ-CYBMUJFWSA-N 0 0 343.402 2.734 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(Cn2ccnn2)c1 ZINC001640405342 1101043116 /nfs/dbraw/zinc/04/31/16/1101043116.db2.gz RNWUSIGYODLNCF-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN COC(=O)c1coc(/C=C\C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640405360 1101043674 /nfs/dbraw/zinc/04/36/74/1101043674.db2.gz RZSGGQCIHSJJIP-WAYWQWQTSA-N 0 0 335.743 2.755 10 10 EFCERN CN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc21 ZINC001640401884 1101043850 /nfs/dbraw/zinc/04/38/50/1101043850.db2.gz FXISRMIGYZLAIH-CYBMUJFWSA-N 0 0 344.798 2.812 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCOC3(CCC3)C2)cc1 ZINC001641073083 1101100051 /nfs/dbraw/zinc/10/00/51/1101100051.db2.gz ZUZNSDFZPFXBFV-LBPRGKRZSA-N 0 0 330.388 2.928 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1 ZINC001641073082 1101100133 /nfs/dbraw/zinc/10/01/33/1101100133.db2.gz ZUZNSDFZPFXBFV-GFCCVEGCSA-N 0 0 330.388 2.928 10 10 EFCERN COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001641175093 1101111330 /nfs/dbraw/zinc/11/13/30/1101111330.db2.gz YJWAKAHVXPIBDE-CTYIDZIISA-N 0 0 344.386 2.915 10 10 EFCERN CC(C)[C@H](CO)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001641202283 1101113976 /nfs/dbraw/zinc/11/39/76/1101113976.db2.gz SDOZFQRJLXIBPZ-GJZGRUSLSA-N 0 0 334.420 2.868 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(C)c3N)C2)cc1 ZINC001641228258 1101115997 /nfs/dbraw/zinc/11/59/97/1101115997.db2.gz QEYWKXQLMKKQBG-ZDUSSCGKSA-N 0 0 343.402 2.734 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2oc(CO)cc2c1 ZINC001641524535 1101143822 /nfs/dbraw/zinc/14/38/22/1101143822.db2.gz HQYCMIRXMOAXIK-KXFIGUGUSA-N 0 0 325.320 2.988 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2c[nH][nH]c2=O)CCCC1 ZINC001641600521 1101149375 /nfs/dbraw/zinc/14/93/75/1101149375.db2.gz CLDZNJXUTGJMIR-UHFFFAOYSA-N 0 0 340.383 2.596 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cc(F)ccc1OC(F)F ZINC001168045887 1101197479 /nfs/dbraw/zinc/19/74/79/1101197479.db2.gz GDQQFBKFQSAGGN-UHFFFAOYSA-N 0 0 341.285 2.697 10 10 EFCERN COC(=O)[C@@H](COC1CCC1)N(C)Cc1ccc(N(C)C)c(C)c1 ZINC001642281170 1101203133 /nfs/dbraw/zinc/20/31/33/1101203133.db2.gz FZLCJJNDSLPCOB-GOSISDBHSA-N 0 0 334.460 2.604 10 10 EFCERN COCc1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC001642548082 1101221740 /nfs/dbraw/zinc/22/17/40/1101221740.db2.gz IHAGLIFQTIZJLZ-AWEZNQCLSA-N 0 0 347.484 2.977 10 10 EFCERN C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001642827581 1101245964 /nfs/dbraw/zinc/24/59/64/1101245964.db2.gz MBWKCQXIIOPMKV-NSHDSACASA-N 0 0 340.339 2.528 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc2c(F)ccc(F)c2c1 ZINC001643103997 1101270393 /nfs/dbraw/zinc/27/03/93/1101270393.db2.gz KQFGTZFBEMQCGW-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN O=C(Cc1ccc2c[nH]nc2c1)NCc1ccc2cccnc2c1O ZINC001643283455 1101287325 /nfs/dbraw/zinc/28/73/25/1101287325.db2.gz XCSFUITZOSZHCW-UHFFFAOYSA-N 0 0 332.363 2.676 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)NCc2ccc3cccnc3c2O)n1 ZINC001643284759 1101287760 /nfs/dbraw/zinc/28/77/60/1101287760.db2.gz KLYKJCIXNNUKAU-UHFFFAOYSA-N 0 0 346.337 2.699 10 10 EFCERN O=C(NCc1nc(C(F)F)no1)c1cc2cc(O)c(O)cc2s1 ZINC001643296885 1101288367 /nfs/dbraw/zinc/28/83/67/1101288367.db2.gz NSQPKIVKOCRSJV-UHFFFAOYSA-N 0 0 341.295 2.563 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C3(CC(C)=O)CCC3)C2)cc1 ZINC001643351630 1101291619 /nfs/dbraw/zinc/29/16/19/1101291619.db2.gz ZTUTYLLAOVUMRA-MRXNPFEDSA-N 0 0 344.455 2.787 10 10 EFCERN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](CO)c1ccccc1 ZINC001643500637 1101303891 /nfs/dbraw/zinc/30/38/91/1101303891.db2.gz SCCAEQNQXLRPDK-SLWQEBJJSA-N 0 0 327.380 2.693 10 10 EFCERN COC(=O)c1cnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC001652002656 1101417485 /nfs/dbraw/zinc/41/74/85/1101417485.db2.gz PCEGVBJBHGSKPL-UHFFFAOYSA-N 0 0 338.366 2.813 10 10 EFCERN CCCOc1nc(C)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784943518 1101440236 /nfs/dbraw/zinc/44/02/36/1101440236.db2.gz ONDGZBNIPALQRW-UHFFFAOYSA-N 0 0 345.351 2.630 10 10 EFCERN COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1O ZINC001625806031 1101446867 /nfs/dbraw/zinc/44/68/67/1101446867.db2.gz WRIJDYAJSZALAJ-UHFFFAOYSA-N 0 0 345.376 2.957 10 10 EFCERN CC(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC001652386864 1101486538 /nfs/dbraw/zinc/48/65/38/1101486538.db2.gz OBSCQSYZWAIENN-UHFFFAOYSA-N 0 0 349.412 2.534 10 10 EFCERN COC(=O)CCC1(NC(=O)c2ccc(C)c(O)c2O)CCCCC1 ZINC001652548517 1101512767 /nfs/dbraw/zinc/51/27/67/1101512767.db2.gz GMRZARJRCNTRIP-UHFFFAOYSA-N 0 0 335.400 2.792 10 10 EFCERN CC(C)Cn1cc(C(=O)NCc2c(O)cccc2O)c(C(F)F)n1 ZINC001652625513 1101522029 /nfs/dbraw/zinc/52/20/29/1101522029.db2.gz GMCVWLLAEFYMLB-UHFFFAOYSA-N 0 0 339.342 2.818 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001652625353 1101522521 /nfs/dbraw/zinc/52/25/21/1101522521.db2.gz CHEHOLMSJSRFPB-AWEZNQCLSA-N 0 0 342.178 2.754 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001652629145 1101523845 /nfs/dbraw/zinc/52/38/45/1101523845.db2.gz YAEKOQCWVGQPRE-HNNXBMFYSA-N 0 0 335.306 2.814 10 10 EFCERN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3c(O)cccc3O)cc2C1 ZINC001652628632 1101524090 /nfs/dbraw/zinc/52/40/90/1101524090.db2.gz HUJMYOUMQSYTDB-NSHDSACASA-N 0 0 342.395 2.643 10 10 EFCERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2c(c1)CCO2 ZINC001652953529 1101569721 /nfs/dbraw/zinc/56/97/21/1101569721.db2.gz CWEQIJZROOYROB-QDBLGGKGSA-N 0 0 325.364 2.923 10 10 EFCERN O=C(Cn1cc(-c2ccccc2)nn1)NCc1cccc(Cl)c1O ZINC001653566946 1101633244 /nfs/dbraw/zinc/63/32/44/1101633244.db2.gz GYOYSZTVPBFJME-UHFFFAOYSA-N 0 0 342.786 2.621 10 10 EFCERN Cc1cc(-n2cccn2)ccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001653694340 1101644034 /nfs/dbraw/zinc/64/40/34/1101644034.db2.gz OWLJTKICPGZVPA-YWEYNIOJSA-N 0 0 349.390 2.922 10 10 EFCERN COC(=O)/C=C\[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001653870445 1101656904 /nfs/dbraw/zinc/65/69/04/1101656904.db2.gz OTTDNWBGVQSKOM-IWMPZKFUSA-N 0 0 340.423 2.871 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3cc(F)ccc3N)CC2)cc1 ZINC001141985252 1101665834 /nfs/dbraw/zinc/66/58/34/1101665834.db2.gz MCENRBZQBUJUKZ-UHFFFAOYSA-N 0 0 343.402 2.769 10 10 EFCERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(F)CC1 ZINC000843553567 1101723897 /nfs/dbraw/zinc/72/38/97/1101723897.db2.gz AIYIKXXBSKSPAO-NSHDSACASA-N 0 0 328.334 2.875 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)c1nn(C)cc1[N+](=O)[O-] ZINC001654918548 1101768502 /nfs/dbraw/zinc/76/85/02/1101768502.db2.gz HIEIFKDCWADYPR-UHFFFAOYSA-N 0 0 329.404 2.955 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CNC(=O)Nc2cccc(Cl)c2)c1 ZINC001167293589 1102340840 /nfs/dbraw/zinc/34/08/40/1102340840.db2.gz KJNLJBMCIVZELC-UHFFFAOYSA-N 0 0 347.802 2.792 10 10 EFCERN COC(=O)c1cc(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125535705 1102364480 /nfs/dbraw/zinc/36/44/80/1102364480.db2.gz ZVZLMIJSPXVWBQ-UHFFFAOYSA-N 0 0 344.386 2.917 10 10 EFCERN CCCC[C@@H](C(=O)OC)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001657876133 1102417076 /nfs/dbraw/zinc/41/70/76/1102417076.db2.gz PAVAGIXKUMHIMG-SFHVURJKSA-N 0 0 334.460 2.939 10 10 EFCERN C[C@@H](NC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)c1ccccc1O ZINC001648889631 1102549054 /nfs/dbraw/zinc/54/90/54/1102549054.db2.gz FUKNGULKEMWGOB-TWJWRFFLSA-N 0 0 346.427 2.825 10 10 EFCERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccccc1O ZINC001648889755 1102549474 /nfs/dbraw/zinc/54/94/74/1102549474.db2.gz KHJUARCJDJFHSC-SNVBAGLBSA-N 0 0 347.346 2.997 10 10 EFCERN C[C@H](NC(=O)c1ccc(Br)[nH]c1=O)c1ccccc1O ZINC001648894603 1102554117 /nfs/dbraw/zinc/55/41/17/1102554117.db2.gz OIWJZEJUQBTYCX-QMMMGPOBSA-N 0 0 337.173 2.746 10 10 EFCERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001648892399 1102555483 /nfs/dbraw/zinc/55/54/83/1102555483.db2.gz YYNMUGBNQJXCRR-JTQLQIEISA-N 0 0 344.323 2.578 10 10 EFCERN C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1O ZINC001648892293 1102556254 /nfs/dbraw/zinc/55/62/54/1102556254.db2.gz URBGSAYXHZWIIW-NSHDSACASA-N 0 0 332.787 2.653 10 10 EFCERN C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]c1=O)c1ccccc1O ZINC001648891926 1102556554 /nfs/dbraw/zinc/55/65/54/1102556554.db2.gz JHQYKFPEUNGVJI-SNVBAGLBSA-N 0 0 326.327 2.864 10 10 EFCERN COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977945 1102648931 /nfs/dbraw/zinc/64/89/31/1102648931.db2.gz OBEFOZDAHCNYOR-SNVBAGLBSA-N 0 0 333.812 2.523 10 10 EFCERN COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977944 1102649508 /nfs/dbraw/zinc/64/95/08/1102649508.db2.gz OBEFOZDAHCNYOR-JTQLQIEISA-N 0 0 333.812 2.523 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(C3CC3)c2N)cc1 ZINC000905456143 1103224676 /nfs/dbraw/zinc/22/46/76/1103224676.db2.gz BDHJSKXNJUUDOJ-UHFFFAOYSA-N 0 0 341.459 2.919 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@H](C[C@H]3CCCO3)C2=O)cc1Cl ZINC000905458531 1103228899 /nfs/dbraw/zinc/22/88/99/1103228899.db2.gz JEYCMRLKYTYKTQ-LDYMZIIASA-N 0 0 344.198 2.570 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000906354122 1104145974 /nfs/dbraw/zinc/14/59/74/1104145974.db2.gz XFPCMELTSYFZMN-MOPGFXCFSA-N 0 0 344.455 2.549 10 10 EFCERN O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc(N2CCSCC2)cc1 ZINC001625969997 1104373626 /nfs/dbraw/zinc/37/36/26/1104373626.db2.gz ODPZMVBOIGFCHQ-FUHWJXTLSA-N 0 0 348.512 2.797 10 10 EFCERN CC(=O)c1ccc(S(=O)(=O)NCc2cc(C)ccc2O)cc1F ZINC001665128762 1104633577 /nfs/dbraw/zinc/63/35/77/1104633577.db2.gz UOZDGRTUIBLUHS-UHFFFAOYSA-N 0 0 337.372 2.521 10 10 EFCERN Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000729703064 1104873052 /nfs/dbraw/zinc/87/30/52/1104873052.db2.gz AUWSIXVKQPDWEK-QGZVFWFLSA-N 0 0 343.427 2.759 10 10 EFCERN O=C(NCC1(CO)CC2(CCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897597251 1105840332 /nfs/dbraw/zinc/84/03/32/1105840332.db2.gz FMNQOUIWCWIPGB-UHFFFAOYSA-N 0 0 347.436 2.985 10 10 EFCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C2CC2)O1 ZINC000897613965 1105960666 /nfs/dbraw/zinc/96/06/66/1105960666.db2.gz FPPPURREAKZXJR-LKFCYVNXSA-N 0 0 333.409 2.952 10 10 EFCERN COc1cc2c(cc1F)CN(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841960415 1106049659 /nfs/dbraw/zinc/04/96/59/1106049659.db2.gz PFYLUQQBQOGANO-UHFFFAOYSA-N 0 0 343.402 2.727 10 10 EFCERN CC1(C)CCC[C@@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897849906 1106117457 /nfs/dbraw/zinc/11/74/57/1106117457.db2.gz KYZGINIGSGAALA-QGZVFWFLSA-N 0 0 335.425 2.984 10 10 EFCERN CC(=O)N(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001674021398 1106123321 /nfs/dbraw/zinc/12/33/21/1106123321.db2.gz NVOQUDJKRDHVAK-UHFFFAOYSA-N 0 0 325.368 2.923 10 10 EFCERN O=C(NCc1noc(-c2cccs2)n1)NCc1c(O)cccc1F ZINC001674030355 1106126734 /nfs/dbraw/zinc/12/67/34/1106126734.db2.gz DTZDACFZIRCULV-UHFFFAOYSA-N 0 0 348.359 2.642 10 10 EFCERN COc1cccc(CNC(=O)NCc2cccc(C(C)=O)c2)c1O ZINC001674076406 1106132703 /nfs/dbraw/zinc/13/27/03/1106132703.db2.gz XYLJNJSEUCRSJS-UHFFFAOYSA-N 0 0 328.368 2.603 10 10 EFCERN CC[C@H](C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897919019 1106150011 /nfs/dbraw/zinc/15/00/11/1106150011.db2.gz CUHJVOWGLVZYMH-NSHDSACASA-N 0 0 334.441 2.869 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3cn4c(n3)CCC4)cc2)CC1 ZINC000843791346 1106154954 /nfs/dbraw/zinc/15/49/54/1106154954.db2.gz LAOYFAILQOTKCG-UHFFFAOYSA-N 0 0 338.455 2.996 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn(C3CCC3)nn2)cc1F ZINC000843794056 1106199381 /nfs/dbraw/zinc/19/93/81/1106199381.db2.gz CNTZGURESLZXAG-UHFFFAOYSA-N 0 0 345.422 2.918 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001142533419 1106238588 /nfs/dbraw/zinc/23/85/88/1106238588.db2.gz JJNRLHISJZEAEQ-UHFFFAOYSA-N 0 0 328.280 2.682 10 10 EFCERN COC(=O)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC1CC1 ZINC000898277945 1106301956 /nfs/dbraw/zinc/30/19/56/1106301956.db2.gz YBHHZRNKKRIUTL-LLVKDONJSA-N 0 0 349.408 2.632 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC001675987941 1106461334 /nfs/dbraw/zinc/46/13/34/1106461334.db2.gz UPUKSKIJEANAIV-LLVKDONJSA-N 0 0 345.355 2.869 10 10 EFCERN COc1ccc(F)cc1CCNC(=O)NCc1c(O)cccc1F ZINC001676054949 1106477629 /nfs/dbraw/zinc/47/76/29/1106477629.db2.gz IVVPNJGBRRXDHE-UHFFFAOYSA-N 0 0 336.338 2.721 10 10 EFCERN Nc1ccc(Cc2noc(Cc3ccccc3N3CCCC3=O)n2)cc1 ZINC000904077027 1107584204 /nfs/dbraw/zinc/58/42/04/1107584204.db2.gz NGEUUNIRXHEQEM-UHFFFAOYSA-N 0 0 348.406 2.960 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cc(Cl)c(O)c(OC)c2)c1 ZINC000785416404 1107641952 /nfs/dbraw/zinc/64/19/52/1107641952.db2.gz RLDNUMUIRKOYKG-UHFFFAOYSA-N 0 0 337.759 2.698 10 10 EFCERN C[C@@H]1[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000925333193 1107680233 /nfs/dbraw/zinc/68/02/33/1107680233.db2.gz BCJOQBGFLWUSPY-PELKAZGASA-N 0 0 332.231 2.591 10 10 EFCERN CCOCCOc1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000729858669 1107826568 /nfs/dbraw/zinc/82/65/68/1107826568.db2.gz AZCCUNDXUZICCB-UHFFFAOYSA-N 0 0 345.395 2.746 10 10 EFCERN COc1cccc(CNC(=O)c2ccc3c(c2O)OC(C)(C)C3)c1O ZINC000729859658 1107843448 /nfs/dbraw/zinc/84/34/48/1107843448.db2.gz VFECFANKFQREMZ-UHFFFAOYSA-N 0 0 343.379 2.750 10 10 EFCERN Cc1ccc2c(c1)nc(CNC(=O)NCc1c(O)cccc1F)n2C ZINC001682483685 1108619365 /nfs/dbraw/zinc/61/93/65/1108619365.db2.gz JOQDRKZYTJEKSD-UHFFFAOYSA-N 0 0 342.374 2.726 10 10 EFCERN CC(C)OCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)no1 ZINC001682832583 1108649787 /nfs/dbraw/zinc/64/97/87/1108649787.db2.gz HSRXXZGJCBZCRE-NEPJUHHUSA-N 0 0 348.403 2.822 10 10 EFCERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176463047 1108685201 /nfs/dbraw/zinc/68/52/01/1108685201.db2.gz GLXVLBNFSGASIK-UHFFFAOYSA-N 0 0 339.439 2.673 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2C1 ZINC000843538242 1108776717 /nfs/dbraw/zinc/77/67/17/1108776717.db2.gz BUVDYVVTZIWODU-GFCCVEGCSA-N 0 0 330.407 2.601 10 10 EFCERN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)n1cccn1 ZINC000898927766 1109140407 /nfs/dbraw/zinc/14/04/07/1109140407.db2.gz YRMBGWUMOXUAQA-UHFFFAOYSA-N 0 0 331.397 2.674 10 10 EFCERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000899117433 1109211418 /nfs/dbraw/zinc/21/14/18/1109211418.db2.gz GIHCYWLFSOKIAA-CVEARBPZSA-N 0 0 347.459 2.626 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000899143976 1109219253 /nfs/dbraw/zinc/21/92/53/1109219253.db2.gz UNQXVGWQTBYOJX-APPDUMDISA-N 0 0 333.409 2.547 10 10 EFCERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)N1Cc2cccc(O)c2C1 ZINC000899174339 1109235150 /nfs/dbraw/zinc/23/51/50/1109235150.db2.gz VQJSFOGCYMJILF-HNNXBMFYSA-N 0 0 331.412 2.600 10 10 EFCERN O=C(C[C@H]1CCC2(CCOCC2)CO1)N1Cc2cccc(O)c2C1 ZINC000899174340 1109235264 /nfs/dbraw/zinc/23/52/64/1109235264.db2.gz VQJSFOGCYMJILF-OAHLLOKOSA-N 0 0 331.412 2.600 10 10 EFCERN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899193375 1109238984 /nfs/dbraw/zinc/23/89/84/1109238984.db2.gz SNZOBAXIJPLZCQ-LLVKDONJSA-N 0 0 349.408 2.774 10 10 EFCERN CCOC(=O)[C@H](C)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899201788 1109244851 /nfs/dbraw/zinc/24/48/51/1109244851.db2.gz QWRYZWDJABKGNW-SECBINFHSA-N 0 0 349.408 2.584 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCn2nncc2C1 ZINC000899335513 1109288881 /nfs/dbraw/zinc/28/88/81/1109288881.db2.gz CHSOINMOSZPTIG-UHFFFAOYSA-N 0 0 341.440 2.793 10 10 EFCERN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1cccc(O)c1O ZINC001649017974 1111843724 /nfs/dbraw/zinc/84/37/24/1111843724.db2.gz DKKINBYHWJZLIH-UHFFFAOYSA-N 0 0 345.351 2.924 10 10 EFCERN CCc1cnccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000182499522 1118615749 /nfs/dbraw/zinc/61/57/49/1118615749.db2.gz NPISLRBAKDQTFF-UHFFFAOYSA-N 0 0 339.439 2.753 10 10 EFCERN COc1ccc2[nH]c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2c1 ZINC000784882554 1119360960 /nfs/dbraw/zinc/36/09/60/1119360960.db2.gz ZSNHKRSFEQRTCZ-UHFFFAOYSA-N 0 0 341.319 2.627 10 10 EFCERN C[C@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000185014280 1119683891 /nfs/dbraw/zinc/68/38/91/1119683891.db2.gz WDHLEBVAAQZQJU-AWEZNQCLSA-N 0 0 338.473 2.866 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171619440 529988734 /nfs/dbraw/zinc/98/87/34/529988734.db2.gz SSKDGZBWDNETBO-KRWDZBQOSA-N 0 0 331.460 2.997 10 10 EFCERN CC(C)c1n[nH]cc1C(=O)NCc1cccc(Br)c1O ZINC000278707987 535328553 /nfs/dbraw/zinc/32/85/53/535328553.db2.gz LKUYLADGBCJXNL-UHFFFAOYSA-N 0 0 338.205 2.931 10 10 EFCERN COCCn1c(C)cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c1C ZINC000038201155 202130639 /nfs/dbraw/zinc/13/06/39/202130639.db2.gz FVGYPJJFPCJUGG-ATVHPVEESA-N 0 0 339.395 2.849 10 10 EFCERN O=C(c1cccs1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000025666398 202134813 /nfs/dbraw/zinc/13/48/13/202134813.db2.gz DZSSNBKPMXSOKY-UHFFFAOYSA-N 0 0 342.464 2.900 10 10 EFCERN CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(O)c(O)c3)n2)cc1 ZINC000031713324 202208296 /nfs/dbraw/zinc/20/82/96/202208296.db2.gz FFFIBCWNSCBPAC-UHFFFAOYSA-N 0 0 338.367 2.758 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccccc1C ZINC000177431491 239373771 /nfs/dbraw/zinc/37/37/71/239373771.db2.gz ZNEOCDULLPQMNT-OAHLLOKOSA-N 0 0 333.453 2.672 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1cc(=O)n2c(C)csc2n1 ZINC000058934360 202773871 /nfs/dbraw/zinc/77/38/71/202773871.db2.gz DQPXPVRWXJUBJY-UHFFFAOYSA-N 0 0 327.409 2.636 10 10 EFCERN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000193092459 240085292 /nfs/dbraw/zinc/08/52/92/240085292.db2.gz ZNXLUGVTTVYLQL-MEDUHNTESA-N 0 0 331.343 2.839 10 10 EFCERN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192983348 240078431 /nfs/dbraw/zinc/07/84/31/240078431.db2.gz OHFXEYVAWJWFAW-IUCAKERBSA-N 0 0 327.215 2.956 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000193073301 240082599 /nfs/dbraw/zinc/08/25/99/240082599.db2.gz QNUPTFSDUBTSOD-UHFFFAOYSA-N 0 0 331.343 2.921 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000193935986 240129723 /nfs/dbraw/zinc/12/97/23/240129723.db2.gz BMPYXCZBKGXXKY-NSHDSACASA-N 0 0 328.368 2.785 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000193945252 240133219 /nfs/dbraw/zinc/13/32/19/240133219.db2.gz HJKRKQJHFHJOLW-OAHLLOKOSA-N 0 0 348.443 2.998 10 10 EFCERN CCS(=O)(=O)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000195157658 240206642 /nfs/dbraw/zinc/20/66/42/240206642.db2.gz QQLXIUHGSGQUNU-UHFFFAOYSA-N 0 0 331.865 2.753 10 10 EFCERN CCOCCOc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000236962100 240237146 /nfs/dbraw/zinc/23/71/46/240237146.db2.gz ROSQUMVCRBQQME-UHFFFAOYSA-N 0 0 328.412 2.657 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1F ZINC000246920764 240274402 /nfs/dbraw/zinc/27/44/02/240274402.db2.gz MUBZLMLOVBWBLC-DAXOMENPSA-N 0 0 335.423 2.504 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247247948 240278710 /nfs/dbraw/zinc/27/87/10/240278710.db2.gz GAAUBRUEXICQKM-IPMKNSEASA-N 0 0 341.455 2.820 10 10 EFCERN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263569448 240384441 /nfs/dbraw/zinc/38/44/41/240384441.db2.gz HNITYWHRPMQJDS-MRXNPFEDSA-N 0 0 340.423 2.992 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)sc2nccn12 ZINC000269858704 240576426 /nfs/dbraw/zinc/57/64/26/240576426.db2.gz IPZQFOZFEASCNN-UHFFFAOYSA-N 0 0 332.404 2.839 10 10 EFCERN Cc1nc(Cl)ccc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274902394 240741243 /nfs/dbraw/zinc/74/12/43/240741243.db2.gz GSLWWBDMAIWRMR-SNVBAGLBSA-N 0 0 334.803 2.745 10 10 EFCERN C[C@@H]1COCC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277860178 240792373 /nfs/dbraw/zinc/79/23/73/240792373.db2.gz ZGQMKRGSNVOJAK-KDOFPFPSSA-N 0 0 331.460 2.852 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000281300554 240926744 /nfs/dbraw/zinc/92/67/44/240926744.db2.gz QZCDSKXUTMPEDO-FQEVSTJZSA-N 0 0 343.471 2.552 10 10 EFCERN CCc1nnc(CNCc2ccc(OCc3ccccc3)cc2O)[nH]1 ZINC000295925471 241066128 /nfs/dbraw/zinc/06/61/28/241066128.db2.gz FHONVPYUFPQVTP-UHFFFAOYSA-N 0 0 338.411 2.942 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2nccn2CC)cc1F ZINC000296646953 241094542 /nfs/dbraw/zinc/09/45/42/241094542.db2.gz NBOLKHFSVUJPME-UHFFFAOYSA-N 0 0 347.438 2.888 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCF)cc2F)C[C@H](C)O1 ZINC000297281141 241118010 /nfs/dbraw/zinc/11/80/10/241118010.db2.gz GNSWOALICDBTKH-BETUJISGSA-N 0 0 341.402 2.550 10 10 EFCERN CNC(=O)c1cccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000301382150 241187847 /nfs/dbraw/zinc/18/78/47/241187847.db2.gz ZSTNWRAIMTVOLV-UHFFFAOYSA-N 0 0 342.468 2.607 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(C)n1-c1ccccn1 ZINC000304615818 241198419 /nfs/dbraw/zinc/19/84/19/241198419.db2.gz GRNWMEHCJVHKQM-UYAOXDASSA-N 0 0 347.418 2.877 10 10 EFCERN CN(CC1CC1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297774129 241133038 /nfs/dbraw/zinc/13/30/38/241133038.db2.gz HMRZCQRSQXLDTI-UHFFFAOYSA-N 0 0 344.455 2.922 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1[O-] ZINC000187735096 299374080 /nfs/dbraw/zinc/37/40/80/299374080.db2.gz MKORIRZQMNTYED-NWDGAFQWSA-N 0 0 336.386 2.724 10 10 EFCERN O=C([C@@H]1CCCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000365952956 242338012 /nfs/dbraw/zinc/33/80/12/242338012.db2.gz VAMNXJFHOMOHHK-NVXWUHKLSA-N 0 0 333.428 2.717 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366111590 242343121 /nfs/dbraw/zinc/34/31/21/242343121.db2.gz BYNREKTUAINDPZ-HNNXBMFYSA-N 0 0 342.443 2.985 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC(O)(c3ccc(F)cc3)C2)c1O ZINC000364326725 242296592 /nfs/dbraw/zinc/29/65/92/242296592.db2.gz HMPSNIHJGZXMIS-UHFFFAOYSA-N 0 0 333.334 2.576 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862530 242309717 /nfs/dbraw/zinc/30/97/17/242309717.db2.gz QWHCCWODZPPZQO-WDEREUQCSA-N 0 0 345.798 2.727 10 10 EFCERN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862518 242309825 /nfs/dbraw/zinc/30/98/25/242309825.db2.gz QWHCCWODZPPZQO-GHMZBOCLSA-N 0 0 345.798 2.727 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000367784279 242393997 /nfs/dbraw/zinc/39/39/97/242393997.db2.gz UZSDCKRYMKBXEK-BWTSREIZSA-N 0 0 342.414 2.586 10 10 EFCERN Nc1ccc(CS(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000021012903 212199713 /nfs/dbraw/zinc/19/97/13/212199713.db2.gz AZYKUJDUGKYSCM-UHFFFAOYSA-N 0 0 341.230 2.973 10 10 EFCERN Cc1cc(C)nc(SCC(=O)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000069949441 203065098 /nfs/dbraw/zinc/06/50/98/203065098.db2.gz UCWHIOQTUQYPGI-UHFFFAOYSA-N 0 0 344.484 2.876 10 10 EFCERN COc1ccc(N2CCC[C@@]3(C2)CN(c2cccnc2)CCO3)cc1 ZINC000096074757 203825710 /nfs/dbraw/zinc/82/57/10/203825710.db2.gz LLHVSMMLLGXXBD-HXUWFJFHSA-N 0 0 339.439 2.966 10 10 EFCERN C[C@@H](OC(=O)/C=C\c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 ZINC000098055640 296204581 /nfs/dbraw/zinc/20/45/81/296204581.db2.gz DWXRJAIJWQDFQV-WKTRQSJXSA-N 0 0 342.439 2.636 10 10 EFCERN COC[C@@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000264897098 285273724 /nfs/dbraw/zinc/27/37/24/285273724.db2.gz HCWKXFXAKGPLQP-IZPAUZPXSA-N 0 0 334.372 2.644 10 10 EFCERN COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105357 533390366 /nfs/dbraw/zinc/39/03/66/533390366.db2.gz CKCAXPDKJSNNFW-NSHDSACASA-N 0 0 325.792 2.633 10 10 EFCERN COC[C@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000264897100 285447269 /nfs/dbraw/zinc/44/72/69/285447269.db2.gz HCWKXFXAKGPLQP-OWNNVSBGSA-N 0 0 334.372 2.644 10 10 EFCERN Cc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000012983235 292040443 /nfs/dbraw/zinc/04/04/43/292040443.db2.gz USGXBUQAVBCWPX-QINSGFPZSA-N 0 0 348.493 2.528 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185994520 287071655 /nfs/dbraw/zinc/07/16/55/287071655.db2.gz YMOHREVMVNYYDB-BDAKNGLRSA-N 0 0 327.215 2.956 10 10 EFCERN Cc1cccc(C(=O)NC2=N[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1 ZINC000020530771 274789091 /nfs/dbraw/zinc/78/90/91/274789091.db2.gz ZXSXFEHJTPOOEH-HNNXBMFYSA-N 0 0 341.798 2.995 10 10 EFCERN Cc1cccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)c1 ZINC000006869817 274789119 /nfs/dbraw/zinc/78/91/19/274789119.db2.gz XFYMQEZKTKRTON-OAHLLOKOSA-N 0 0 341.798 2.995 10 10 EFCERN CC1=CSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 ZINC000005035159 275918136 /nfs/dbraw/zinc/91/81/36/275918136.db2.gz CFBYWRTWYNOIMP-HGLSAHSWSA-N 0 0 337.360 2.960 10 10 EFCERN COC(=O)C1=CN(c2cccc(F)c2)c2ccccc2S1(=O)=O ZINC000064979156 277051440 /nfs/dbraw/zinc/05/14/40/277051440.db2.gz QPLJQVZFUCAPRY-UHFFFAOYSA-N 0 0 333.340 2.766 10 10 EFCERN COc1cccc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1O ZINC000185624448 278010490 /nfs/dbraw/zinc/01/04/90/278010490.db2.gz LPYFGBGNBWGYQV-QGZVFWFLSA-N 0 0 344.386 2.521 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@H]32)c1O ZINC000247297053 278243804 /nfs/dbraw/zinc/24/38/04/278243804.db2.gz ULVFZZIFYFELGJ-HUUCEWRRSA-N 0 0 341.860 2.955 10 10 EFCERN NN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S ZINC000004882766 279659769 /nfs/dbraw/zinc/65/97/69/279659769.db2.gz FQOHJXGXHDCHLP-YWEYNIOJSA-N 0 0 333.207 2.663 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272501094 295027268 /nfs/dbraw/zinc/02/72/68/295027268.db2.gz LHTDGDOERJFYTH-BXUZGUMPSA-N 0 0 338.404 2.845 10 10 EFCERN CCCn1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC000095445243 473205846 /nfs/dbraw/zinc/20/58/46/473205846.db2.gz QLVLYAQTANEISK-UHFFFAOYSA-N 0 0 331.439 2.796 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000124702160 473288564 /nfs/dbraw/zinc/28/85/64/473288564.db2.gz CNCLCOGZKNLVQO-ZDUSSCGKSA-N 0 0 329.448 2.557 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c(C)n1-c1cccc(C)c1 ZINC000112650204 473291253 /nfs/dbraw/zinc/29/12/53/473291253.db2.gz OAMCTEKBPCOINU-INIZCTEOSA-N 0 0 349.438 2.739 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(C)n1-c1cccc(C)c1 ZINC000112650203 473292134 /nfs/dbraw/zinc/29/21/34/473292134.db2.gz OAMCTEKBPCOINU-MRXNPFEDSA-N 0 0 349.438 2.739 10 10 EFCERN CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc21 ZINC000184988355 473292956 /nfs/dbraw/zinc/29/29/56/473292956.db2.gz CPOMLFKYDWSLNO-UHFFFAOYSA-N 0 0 340.379 2.958 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1O ZINC000177271949 473344653 /nfs/dbraw/zinc/34/46/53/473344653.db2.gz WBNPPARHORCNDB-UHFFFAOYSA-N 0 0 334.807 2.677 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3COc4ccccc43)CC2)cc1 ZINC000113012016 473346233 /nfs/dbraw/zinc/34/62/33/473346233.db2.gz HZBQURJLMQAING-SFHVURJKSA-N 0 0 338.407 2.520 10 10 EFCERN O=C1N=C(NC2CCCC2)SC1=Cc1nccn1CC(F)(F)F ZINC000096316206 473375655 /nfs/dbraw/zinc/37/56/55/473375655.db2.gz NGCDCSIXCLVHNJ-JXMROGBWSA-N 0 0 344.362 2.948 10 10 EFCERN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000185281493 473384526 /nfs/dbraw/zinc/38/45/26/473384526.db2.gz GMBFDGXFZOTFLN-LBPRGKRZSA-N 0 0 349.381 2.753 10 10 EFCERN COCc1cc(C)nc2sc(C(=O)c3ccc(O)c(O)c3)c(N)c21 ZINC000000189018 471332923 /nfs/dbraw/zinc/33/29/23/471332923.db2.gz SIFKSEAUSNPCNL-UHFFFAOYSA-N 0 0 344.392 2.976 10 10 EFCERN COc1ccc(N(C)S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000000213012 471336017 /nfs/dbraw/zinc/33/60/17/471336017.db2.gz ANQULAAFUGBAKI-UHFFFAOYSA-N 0 0 335.410 2.525 10 10 EFCERN CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C(=N)N12 ZINC000004635394 471471287 /nfs/dbraw/zinc/47/12/87/471471287.db2.gz YOFZLXYYBHFQJM-KRLNTZMLSA-N 0 0 345.453 2.692 10 10 EFCERN CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886347 471644986 /nfs/dbraw/zinc/64/49/86/471644986.db2.gz IVDQYWCICRLNDV-IBGZPJMESA-N 0 0 337.423 2.844 10 10 EFCERN CC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000008170980 471669296 /nfs/dbraw/zinc/66/92/96/471669296.db2.gz WNBYEJVKILQSNR-IBGZPJMESA-N 0 0 339.439 2.636 10 10 EFCERN CN(C)c1ccc(CNC(=O)CCNC(=O)Nc2ccccc2)cc1 ZINC000012596403 471784837 /nfs/dbraw/zinc/78/48/37/471784837.db2.gz YMEBXAAMPXVPEE-UHFFFAOYSA-N 0 0 340.427 2.581 10 10 EFCERN COc1ccc(N(CCOc2cccc(C)c2)CCC(N)=O)cc1 ZINC000014703189 471877485 /nfs/dbraw/zinc/87/74/85/471877485.db2.gz BNFCGFHSYNNTKI-UHFFFAOYSA-N 0 0 328.412 2.764 10 10 EFCERN COc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)cc1 ZINC000019923762 471985310 /nfs/dbraw/zinc/98/53/10/471985310.db2.gz PPUXKZQEJJNCIO-UHFFFAOYSA-N 0 0 336.439 2.904 10 10 EFCERN Cc1ccccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055106948 472140641 /nfs/dbraw/zinc/14/06/41/472140641.db2.gz WCOQRDWGZCNLBQ-GFCCVEGCSA-N 0 0 348.424 2.563 10 10 EFCERN COc1ccc(N2CCN(Cc3nc(CC(C)C)no3)CC2)cc1 ZINC000042666520 472157771 /nfs/dbraw/zinc/15/77/71/472157771.db2.gz BOHWNQCIJRZKSH-UHFFFAOYSA-N 0 0 330.432 2.599 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1CCCCC1 ZINC000055329262 472169440 /nfs/dbraw/zinc/16/94/40/472169440.db2.gz AIXVTXQXHJLRIX-UHFFFAOYSA-N 0 0 335.423 2.794 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1O ZINC000068488408 472199890 /nfs/dbraw/zinc/19/98/90/472199890.db2.gz IXZGDOHWYCWWQZ-HNNXBMFYSA-N 0 0 333.771 2.674 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCc3ccccc3O)CC2)cc1 ZINC000044716552 472335255 /nfs/dbraw/zinc/33/52/55/472335255.db2.gz VRGYKBLSGCPEIH-UHFFFAOYSA-N 0 0 340.423 2.682 10 10 EFCERN Cc1cc(C(=O)Cn2cnc(C(N)=O)c2)c(C)n1-c1ccccc1C ZINC000097001763 472406528 /nfs/dbraw/zinc/40/65/28/472406528.db2.gz NFXWUIWHLAAMLK-UHFFFAOYSA-N 0 0 336.395 2.581 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3ccnc(C)c3)CC2)cc1 ZINC000119144528 472531583 /nfs/dbraw/zinc/53/15/83/472531583.db2.gz GVRITQXXHRQGCI-UHFFFAOYSA-N 0 0 326.400 2.753 10 10 EFCERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000077824731 472624502 /nfs/dbraw/zinc/62/45/02/472624502.db2.gz BBBDDDSKHNIUIF-HOTGVXAUSA-N 0 0 333.476 2.739 10 10 EFCERN CCOc1cccc(CCNC(=O)NCc2cccc(OC)c2O)c1 ZINC000155863651 472628895 /nfs/dbraw/zinc/62/88/95/472628895.db2.gz TZVFDZGUZVLLQX-UHFFFAOYSA-N 0 0 344.411 2.841 10 10 EFCERN Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198367 472647529 /nfs/dbraw/zinc/64/75/29/472647529.db2.gz APIHDQNROAKPDW-KRWDZBQOSA-N 0 0 326.444 2.900 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)[nH]n1 ZINC000120611817 472718503 /nfs/dbraw/zinc/71/85/03/472718503.db2.gz IRYGMBOSAGIBDS-CQSZACIVSA-N 0 0 339.443 2.525 10 10 EFCERN CC1CCN(c2ccc(CNc3cncc(OCCO)n3)cc2)CC1 ZINC000132595135 472743390 /nfs/dbraw/zinc/74/33/90/472743390.db2.gz SJYCHAPMEWQEJV-UHFFFAOYSA-N 0 0 342.443 2.696 10 10 EFCERN CN(C)c1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1F ZINC000121692239 472893288 /nfs/dbraw/zinc/89/32/88/472893288.db2.gz HBDGSLIYALDEDT-LJQANCHMSA-N 0 0 341.430 2.955 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCOC3)c2C)cc1 ZINC000106844750 472897478 /nfs/dbraw/zinc/89/74/78/472897478.db2.gz MABGNQGPJYZVFT-INIZCTEOSA-N 0 0 328.412 2.964 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107675049 472972170 /nfs/dbraw/zinc/97/21/70/472972170.db2.gz KAFKEKDOTCRROR-IZPAUZPXSA-N 0 0 334.372 2.644 10 10 EFCERN CN1CCCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC000134824094 472972062 /nfs/dbraw/zinc/97/20/62/472972062.db2.gz OYPSNTAWNHPVNQ-UHFFFAOYSA-N 0 0 341.411 2.844 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000050633476 473001884 /nfs/dbraw/zinc/00/18/84/473001884.db2.gz YNPBUXWMCTYNAB-INIZCTEOSA-N 0 0 345.830 2.756 10 10 EFCERN Nc1ccc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000160392621 473117438 /nfs/dbraw/zinc/11/74/38/473117438.db2.gz HAMLEKFTNUGGSW-OAHLLOKOSA-N 0 0 329.787 2.914 10 10 EFCERN CC[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123552068 473156243 /nfs/dbraw/zinc/15/62/43/473156243.db2.gz IFNCNQZVHZKAHZ-ZDUSSCGKSA-N 0 0 333.259 2.588 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000125720818 473450414 /nfs/dbraw/zinc/45/04/14/473450414.db2.gz WYALHKZEAJPDIZ-SKDRFNHKSA-N 0 0 342.779 2.775 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)CCc3ccnn3C)cc2)CC1 ZINC000185674794 473485728 /nfs/dbraw/zinc/48/57/28/473485728.db2.gz TXOPWDAAAPCCIL-UHFFFAOYSA-N 0 0 340.471 2.905 10 10 EFCERN O=C(NCCCc1ccccn1)NCc1ccc(N2CC=CC2)cc1 ZINC000178386322 473503567 /nfs/dbraw/zinc/50/35/67/473503567.db2.gz FSDLLLAORFPFCA-UHFFFAOYSA-N 0 0 336.439 2.890 10 10 EFCERN CN(C)c1ccc(CNCc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185763595 473508799 /nfs/dbraw/zinc/50/87/99/473508799.db2.gz UIVFHRPTNLOAJT-UHFFFAOYSA-N 0 0 337.427 2.740 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000191333324 473528007 /nfs/dbraw/zinc/52/80/07/473528007.db2.gz PNNAXTJSVIGQBG-UHFFFAOYSA-N 0 0 336.798 2.687 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnn3c2CCCC3)cc1 ZINC000179074111 473622981 /nfs/dbraw/zinc/62/29/81/473622981.db2.gz VKOYMJKQNLSUKC-UHFFFAOYSA-N 0 0 326.444 2.996 10 10 EFCERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccccc1O ZINC000153900536 473648541 /nfs/dbraw/zinc/64/85/41/473648541.db2.gz SWCWBNYQGFXLRM-AWEZNQCLSA-N 0 0 343.431 2.784 10 10 EFCERN Cc1cc(CN2CCN(Cc3cc(Cl)cc(C)c3O)CC2)on1 ZINC000179633240 473701065 /nfs/dbraw/zinc/70/10/65/473701065.db2.gz YPSPSNXRJGMFCZ-UHFFFAOYSA-N 0 0 335.835 2.968 10 10 EFCERN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(CCn2cccn2)CC1 ZINC000180095671 473797157 /nfs/dbraw/zinc/79/71/57/473797157.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 0 0 348.878 2.839 10 10 EFCERN CC1CCN(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000281724878 473819171 /nfs/dbraw/zinc/81/91/71/473819171.db2.gz ITRNHKCRZSCUCX-UHFFFAOYSA-N 0 0 331.460 2.807 10 10 EFCERN COCCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000274646408 473908390 /nfs/dbraw/zinc/90/83/90/473908390.db2.gz RQAVXVIFRJDWEU-UHFFFAOYSA-N 0 0 342.505 2.719 10 10 EFCERN CCc1nc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCCC2)no1 ZINC000181157041 474011193 /nfs/dbraw/zinc/01/11/93/474011193.db2.gz VLDKDBRHZOZDFB-SOFGYWHQSA-N 0 0 343.383 2.642 10 10 EFCERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCO2)o1 ZINC000181261237 474019305 /nfs/dbraw/zinc/01/93/05/474019305.db2.gz OBOZWUBRCATWPX-BBOMDTFKSA-N 0 0 329.352 2.613 10 10 EFCERN Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000282492965 474085622 /nfs/dbraw/zinc/08/56/22/474085622.db2.gz RDGUDLPDAOFTNS-UHFFFAOYSA-N 0 0 343.427 2.766 10 10 EFCERN CCn1cc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 ZINC000182480453 474185956 /nfs/dbraw/zinc/18/59/56/474185956.db2.gz JXHLJWKSMWEXIL-UHFFFAOYSA-N 0 0 329.400 2.642 10 10 EFCERN CC(C)Oc1cccnc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188905863 474231209 /nfs/dbraw/zinc/23/12/09/474231209.db2.gz OPLQIKAWWANZJC-UHFFFAOYSA-N 0 0 341.411 2.974 10 10 EFCERN Cc1cc(C(=O)N(C)[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccccn1 ZINC000275835166 474336107 /nfs/dbraw/zinc/33/61/07/474336107.db2.gz BVXLLVJNPNDUHO-WKILWMFISA-N 0 0 327.428 2.865 10 10 EFCERN CC[C@@]1(CO)CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189377690 474378302 /nfs/dbraw/zinc/37/83/02/474378302.db2.gz CLNQTLYQJXAHNB-JHTBKMLMSA-N 0 0 348.399 2.770 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)[C@H](C)O)c2C)cc1 ZINC000271238624 474455050 /nfs/dbraw/zinc/45/50/50/474455050.db2.gz AZJPTOKJKPASJV-AWEZNQCLSA-N 0 0 330.428 2.992 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000266863424 474506864 /nfs/dbraw/zinc/50/68/64/474506864.db2.gz SLHUTDSSDFMETO-PKOBYXMFSA-N 0 0 345.487 2.883 10 10 EFCERN Oc1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271379797 474516820 /nfs/dbraw/zinc/51/68/20/474516820.db2.gz RGYKQEQXWAISSP-LRDDRELGSA-N 0 0 337.803 2.963 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420710 474538848 /nfs/dbraw/zinc/53/88/48/474538848.db2.gz ZEGZERWWGFGIEA-QZTJIDSGSA-N 0 0 330.428 2.670 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290176573 474561168 /nfs/dbraw/zinc/56/11/68/474561168.db2.gz FAXOUFZSRIMJJO-VEVIJQCQSA-N 0 0 329.396 2.952 10 10 EFCERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](c2ccccc2)O1 ZINC000276571142 474566818 /nfs/dbraw/zinc/56/68/18/474566818.db2.gz KKNYCQKUTZTKDQ-IAQYHMDHSA-N 0 0 331.343 2.839 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)NCCc3cn[nH]c3)ccc21 ZINC000290467833 474573537 /nfs/dbraw/zinc/57/35/37/474573537.db2.gz GDNJNSYVAOMFCA-UHFFFAOYSA-N 0 0 340.427 2.600 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC000267057765 474577462 /nfs/dbraw/zinc/57/74/62/474577462.db2.gz BEFYAULJFLLVBM-AWEZNQCLSA-N 0 0 344.308 2.886 10 10 EFCERN O=C(NCCCc1nccs1)NCc1ccc(N2CC=CC2)cc1 ZINC000290707319 474583634 /nfs/dbraw/zinc/58/36/34/474583634.db2.gz KPDUDCZDMRHRLL-UHFFFAOYSA-N 0 0 342.468 2.951 10 10 EFCERN COCCC1(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000291198641 474597438 /nfs/dbraw/zinc/59/74/38/474597438.db2.gz IMOYWWRRWPDCCV-UHFFFAOYSA-N 0 0 331.460 2.637 10 10 EFCERN C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000284286752 474611194 /nfs/dbraw/zinc/61/11/94/474611194.db2.gz UBZQUDFXTCCFKL-MRXNPFEDSA-N 0 0 343.471 2.552 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)cc1 ZINC000284315312 474617453 /nfs/dbraw/zinc/61/74/53/474617453.db2.gz LSIUNGAKMIDTLA-UHFFFAOYSA-N 0 0 325.412 2.863 10 10 EFCERN Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Cl)n1 ZINC000291593459 474626320 /nfs/dbraw/zinc/62/63/20/474626320.db2.gz DTDOHVZXLYWXHQ-NSHDSACASA-N 0 0 334.803 2.745 10 10 EFCERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000284481639 474649670 /nfs/dbraw/zinc/64/96/70/474649670.db2.gz FPAHVUMFORUWAP-MSOLQXFVSA-N 0 0 341.459 2.757 10 10 EFCERN COc1c(O)c(CNc2ccc(N3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278486005 474658126 /nfs/dbraw/zinc/65/81/26/474658126.db2.gz KHXQNMLYHSVFKG-UHFFFAOYSA-N 0 0 344.371 2.916 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(C)C)CC2)c1O ZINC000267409265 474668618 /nfs/dbraw/zinc/66/86/18/474668618.db2.gz RHXAKVOOIWJKGN-UHFFFAOYSA-N 0 0 338.835 2.548 10 10 EFCERN CN(C)c1ccc(CNCc2c(Br)cnn2C)cc1F ZINC000278544934 474692921 /nfs/dbraw/zinc/69/29/21/474692921.db2.gz UJHXUGXUJRSREN-UHFFFAOYSA-N 0 0 341.228 2.678 10 10 EFCERN C[C@@H](C(=O)Nc1ccc(O)c(CN2CCOCC2)c1)c1ccccc1 ZINC000252571075 474697472 /nfs/dbraw/zinc/69/74/72/474697472.db2.gz XQFTVWZPNVXQMT-OAHLLOKOSA-N 0 0 340.423 2.967 10 10 EFCERN Cc1nonc1N=NN(Cc1cccc([N+](=O)[O-])c1)c1nonc1C ZINC000252641158 474701591 /nfs/dbraw/zinc/70/15/91/474701591.db2.gz ZASAKFNXAODSFI-UHFFFAOYSA-N 0 0 344.291 2.683 10 10 EFCERN CO[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000292899205 474705497 /nfs/dbraw/zinc/70/54/97/474705497.db2.gz XGHJHPCDYOGICB-RTBURBONSA-N 0 0 346.471 2.687 10 10 EFCERN CN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000253370082 474728040 /nfs/dbraw/zinc/72/80/40/474728040.db2.gz LSYOXLAYZMJQKP-RHSMWYFYSA-N 0 0 346.814 2.926 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2nnn(C(C)C)c2C)cc1 ZINC000292001969 474796743 /nfs/dbraw/zinc/79/67/43/474796743.db2.gz BVNFDTLYKBHUHF-UHFFFAOYSA-N 0 0 329.448 2.944 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000273485471 474923360 /nfs/dbraw/zinc/92/33/60/474923360.db2.gz RJKQGWCUTXQDGS-IAGOWNOFSA-N 0 0 333.476 2.691 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279567736 474980839 /nfs/dbraw/zinc/98/08/39/474980839.db2.gz QWLONVBVADIXFW-GOSISDBHSA-N 0 0 343.452 2.508 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595045 474980923 /nfs/dbraw/zinc/98/09/23/474980923.db2.gz QEERVDDFQFGCBF-WBMJQRKESA-N 0 0 341.367 2.757 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280613468 475039100 /nfs/dbraw/zinc/03/91/00/475039100.db2.gz VZQHWCJDBVVQET-GOSISDBHSA-N 0 0 337.391 2.504 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000293744006 475049806 /nfs/dbraw/zinc/04/98/06/475049806.db2.gz XKVVRKIOSNTTMU-CZUORRHYSA-N 0 0 339.794 2.759 10 10 EFCERN COc1ccc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC000294782975 475083804 /nfs/dbraw/zinc/08/38/04/475083804.db2.gz CULRAAUQGYGFIA-JTQLQIEISA-N 0 0 349.358 2.615 10 10 EFCERN COC1CCN(c2ccc(CN(C)Cc3cnccn3)cc2)CC1 ZINC000294913367 475092121 /nfs/dbraw/zinc/09/21/21/475092121.db2.gz HZSYWKNIISOCMO-UHFFFAOYSA-N 0 0 326.444 2.724 10 10 EFCERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000294941492 475093005 /nfs/dbraw/zinc/09/30/05/475093005.db2.gz LLJUJNHWDZRGCT-BMIGLBTASA-N 0 0 349.333 2.978 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CCC(C)(C)CC2)cc1 ZINC000287348236 475107099 /nfs/dbraw/zinc/10/70/99/475107099.db2.gz XDSDMGYHXDFIGD-UHFFFAOYSA-N 0 0 345.487 2.796 10 10 EFCERN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295321357 475120168 /nfs/dbraw/zinc/12/01/68/475120168.db2.gz LJNBZQZHBRTTJW-LLVKDONJSA-N 0 0 328.815 2.923 10 10 EFCERN CC(C)(C)OC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301649582 476172694 /nfs/dbraw/zinc/17/26/94/476172694.db2.gz FWTDOCICLOZLGZ-UHFFFAOYSA-N 0 0 349.387 2.710 10 10 EFCERN C[C@H]1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000302061829 476186027 /nfs/dbraw/zinc/18/60/27/476186027.db2.gz UCJBOKUEEWQDMX-APPDUMDISA-N 0 0 331.372 2.942 10 10 EFCERN Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(C)n1-c1ccc(F)cc1 ZINC000368607009 476359283 /nfs/dbraw/zinc/35/92/83/476359283.db2.gz XHLITQUKWNZLCR-UHFFFAOYSA-N 0 0 339.374 2.522 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(O)c1 ZINC000373670540 476420092 /nfs/dbraw/zinc/42/00/92/476420092.db2.gz SKNDEXMBAFIBMC-INIZCTEOSA-N 0 0 333.771 2.674 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000369482598 476421330 /nfs/dbraw/zinc/42/13/30/476421330.db2.gz CJONRWYXONHACC-GOSISDBHSA-N 0 0 328.460 2.676 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(c3nccnc3C)CC2)c1O ZINC000374216519 476462101 /nfs/dbraw/zinc/46/21/01/476462101.db2.gz KMLOEFWBSOCSFZ-UHFFFAOYSA-N 0 0 332.835 2.775 10 10 EFCERN CCOc1ccc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369682364 476475074 /nfs/dbraw/zinc/47/50/74/476475074.db2.gz DWYOFTAUOMRODJ-UHFFFAOYSA-N 0 0 346.387 2.733 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000377766613 476569756 /nfs/dbraw/zinc/56/97/56/476569756.db2.gz CJYSTLPESUPQFL-UHFFFAOYSA-N 0 0 348.786 2.573 10 10 EFCERN Cc1nnc2ccc(N3CC=C(c4ccc(Cl)nc4)CC3)nn12 ZINC000378398396 476704789 /nfs/dbraw/zinc/70/47/89/476704789.db2.gz FKFDUVYBJOTRCN-UHFFFAOYSA-N 0 0 326.791 2.775 10 10 EFCERN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000378449754 476710593 /nfs/dbraw/zinc/71/05/93/476710593.db2.gz BBTVXMANWVVQJZ-OAHLLOKOSA-N 0 0 335.835 2.710 10 10 EFCERN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C)c1O ZINC000370367986 476776125 /nfs/dbraw/zinc/77/61/25/476776125.db2.gz RIGHXMYKPRAGHU-UONOGXRCSA-N 0 0 327.808 2.506 10 10 EFCERN CCc1ncnc(CC)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410536092 477015427 /nfs/dbraw/zinc/01/54/27/477015427.db2.gz XPTVTPIIUFYOKR-UHFFFAOYSA-N 0 0 340.427 2.707 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375874054 477058345 /nfs/dbraw/zinc/05/83/45/477058345.db2.gz LREDZBUVWXRBAQ-UHFFFAOYSA-N 0 0 348.349 2.729 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000376477931 477354434 /nfs/dbraw/zinc/35/44/34/477354434.db2.gz FJISJJVNFLHNPA-MJICGBHWSA-N 0 0 346.383 2.788 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000371734795 477469137 /nfs/dbraw/zinc/46/91/37/477469137.db2.gz PLHGKVDCWCFYBP-IZPAUZPXSA-N 0 0 334.372 2.786 10 10 EFCERN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086304 477784310 /nfs/dbraw/zinc/78/43/10/477784310.db2.gz PCFUHTDWWWOJIL-CVEARBPZSA-N 0 0 344.386 2.721 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000368253361 477793383 /nfs/dbraw/zinc/79/33/83/477793383.db2.gz LMPIDDBRNKIKIL-WLAUZSQPSA-N 0 0 343.354 2.930 10 10 EFCERN Cc1ccnc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000368314647 477798050 /nfs/dbraw/zinc/79/80/50/477798050.db2.gz AKOFZFGMTOWNAS-HWKANZROSA-N 0 0 339.395 2.616 10 10 EFCERN O=C(c1c[nH]nc1-c1cccnc1)N1CCc2cc(F)c(F)cc21 ZINC000524608782 478389834 /nfs/dbraw/zinc/38/98/34/478389834.db2.gz RDEBPOVQAURMBE-UHFFFAOYSA-N 0 0 326.306 2.953 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2C1 ZINC000581727597 478430356 /nfs/dbraw/zinc/43/03/56/478430356.db2.gz HLQOFBDFXRRCIG-ZDUSSCGKSA-N 0 0 340.427 2.571 10 10 EFCERN COc1cc(O)c(CN2CCc3nc(C(C)C)ncc3C2)cc1OC ZINC000527611954 478445870 /nfs/dbraw/zinc/44/58/70/478445870.db2.gz FQXCHACJKYNKMN-UHFFFAOYSA-N 0 0 343.427 2.881 10 10 EFCERN CCOc1cccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000527747506 478500684 /nfs/dbraw/zinc/50/06/84/478500684.db2.gz YLTBECQJJKQOGL-ZDUSSCGKSA-N 0 0 329.322 2.881 10 10 EFCERN COc1ccc(CC[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000527793587 478520986 /nfs/dbraw/zinc/52/09/86/478520986.db2.gz MUKMGQCNMRDQIM-UHFFFAOYSA-N 0 0 337.217 2.891 10 10 EFCERN Cc1oc(C2CC2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000571111719 478523429 /nfs/dbraw/zinc/52/34/29/478523429.db2.gz ASFWANSTNOCUIC-UHFFFAOYSA-N 0 0 327.384 2.966 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000566330197 479090306 /nfs/dbraw/zinc/09/03/06/479090306.db2.gz VEWVELSQOVEWLX-UHFFFAOYSA-N 0 0 346.427 2.600 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000551248300 479147658 /nfs/dbraw/zinc/14/76/58/479147658.db2.gz UBPASNRHYRPXBT-OAHLLOKOSA-N 0 0 338.407 2.914 10 10 EFCERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000615384498 479666766 /nfs/dbraw/zinc/66/67/66/479666766.db2.gz PAUXLRMBMGUDDZ-ZDUSSCGKSA-N 0 0 348.406 2.596 10 10 EFCERN COc1ncncc1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O ZINC000647600112 481005239 /nfs/dbraw/zinc/00/52/39/481005239.db2.gz YZUJZEFUYPMYTM-IZZDOVSWSA-N 0 0 340.408 2.818 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@@H](C)CO)CCCC1 ZINC000651525481 481828868 /nfs/dbraw/zinc/82/88/68/481828868.db2.gz CXBBPDLZKAXZCR-UONOGXRCSA-N 0 0 344.455 2.662 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)NCC2(C)COC2)CCCC1 ZINC000649725961 482213446 /nfs/dbraw/zinc/21/34/46/482213446.db2.gz KXADMTQFXUMGQR-UHFFFAOYSA-N 0 0 342.439 2.681 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189502157 533721215 /nfs/dbraw/zinc/72/12/15/533721215.db2.gz YCMIBSYSCKZYHD-UHFFFAOYSA-N 0 0 343.452 2.506 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3cnc(C)s3)CC2)cc1 ZINC000171985194 534003311 /nfs/dbraw/zinc/00/33/11/534003311.db2.gz BUHIHLKCKOZYHZ-BQYQJAHWSA-N 0 0 343.452 2.822 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000173617215 534010899 /nfs/dbraw/zinc/01/08/99/534010899.db2.gz ZZMSEJKQDIIIRO-HNNXBMFYSA-N 0 0 325.412 2.543 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000161247252 534200237 /nfs/dbraw/zinc/20/02/37/534200237.db2.gz SASFBNXVWJCBTG-BLLLJJGKSA-N 0 0 342.395 2.765 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000161247367 534201056 /nfs/dbraw/zinc/20/10/56/534201056.db2.gz SASFBNXVWJCBTG-MLGOLLRUSA-N 0 0 342.395 2.765 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCC[C@H](CO)C2)c(C)n1-c1ccccn1 ZINC000298285089 524151550 /nfs/dbraw/zinc/15/15/50/524151550.db2.gz MDGUUWAIAZCHRZ-HOTGVXAUSA-N 0 0 327.428 2.770 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC(Nc3cccnn3)CC2)c1O ZINC000175644650 527208835 /nfs/dbraw/zinc/20/88/35/527208835.db2.gz QCJJDNQLQQXHHU-UHFFFAOYSA-N 0 0 344.390 2.600 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000079498221 527210320 /nfs/dbraw/zinc/21/03/20/527210320.db2.gz IQDCQQZQYNMHOM-LBPRGKRZSA-N 0 0 337.391 2.898 10 10 EFCERN CCC1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000175974552 527785517 /nfs/dbraw/zinc/78/55/17/527785517.db2.gz LYBPELCSGRVCND-UHFFFAOYSA-N 0 0 349.450 2.919 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CCSc1n[nH]c(C)n1 ZINC000177137057 528146988 /nfs/dbraw/zinc/14/69/88/528146988.db2.gz DWSCBDFGLVXCLY-UHFFFAOYSA-N 0 0 334.445 2.740 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000172555727 528300874 /nfs/dbraw/zinc/30/08/74/528300874.db2.gz UJCWJBWOXBAOII-HNNXBMFYSA-N 0 0 333.476 2.835 10 10 EFCERN CCc1noc(C)c1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000297682149 535881846 /nfs/dbraw/zinc/88/18/46/535881846.db2.gz GUSWFDHYMMVPEL-UHFFFAOYSA-N 0 0 334.395 2.750 10 10 EFCERN CCc1onc(C)c1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000193518985 535937584 /nfs/dbraw/zinc/93/75/84/535937584.db2.gz DYMIPGFOHZIQLP-UHFFFAOYSA-N 0 0 343.427 2.907 10 10 EFCERN COC(=O)c1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000286322860 536660676 /nfs/dbraw/zinc/66/06/76/536660676.db2.gz HSRBHUAUOKTTOK-UHFFFAOYSA-N 0 0 346.383 2.530 10 10 EFCERN COc1cccc2c1CCN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000192594839 536941158 /nfs/dbraw/zinc/94/11/58/536941158.db2.gz SHHCPVLIKHCIMH-UHFFFAOYSA-N 0 0 327.380 2.656 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(C)(C)O)ccc21 ZINC000673689500 547935430 /nfs/dbraw/zinc/93/54/30/547935430.db2.gz APXZPXOOUWQQHN-CQSZACIVSA-N 0 0 332.444 2.794 10 10 EFCERN COc1cccc2c1C(=O)c1ccc3cc(CO)cc(O)c3c1C2=O ZINC000004654729 560199101 /nfs/dbraw/zinc/19/91/01/560199101.db2.gz IWDFTRSGZDSLDE-UHFFFAOYSA-N 0 0 334.327 2.822 10 10 in-vitro EFCERN Cc1cc(C(=O)NC2(CC(N)=O)CCC2)c(C)n1-c1cccc(C)c1 ZINC000754413855 575433282 /nfs/dbraw/zinc/43/32/82/575433282.db2.gz ZSXXOSYXMJZVOH-UHFFFAOYSA-N 0 0 339.439 2.930 10 10 EFCERN CCC(CC)C(=O)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000754725958 575477986 /nfs/dbraw/zinc/47/79/86/575477986.db2.gz IXBUEAMRMZQYQT-UHFFFAOYSA-N 0 0 334.460 2.790 10 10 EFCERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(C)n1 ZINC000755579710 575603985 /nfs/dbraw/zinc/60/39/85/575603985.db2.gz IFSCBCLPVFZGLC-INIZCTEOSA-N 0 0 341.411 2.620 10 10 EFCERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000756127072 575689578 /nfs/dbraw/zinc/68/95/78/575689578.db2.gz HENARYFSTDFLBD-SKVWCYETSA-N 0 0 334.372 2.785 10 10 EFCERN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756351637 575721587 /nfs/dbraw/zinc/72/15/87/575721587.db2.gz MMRFWQUCCJCHNG-DGCLKSJQSA-N 0 0 330.340 2.791 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000756350795 575721637 /nfs/dbraw/zinc/72/16/37/575721637.db2.gz FVSAHNZCPRKRQT-TZMCWYRMSA-N 0 0 343.379 2.669 10 10 EFCERN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756486805 575747281 /nfs/dbraw/zinc/74/72/81/575747281.db2.gz HRJVKBUTCBCANK-RKDXNWHRSA-N 0 0 343.200 2.625 10 10 EFCERN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756489580 575747590 /nfs/dbraw/zinc/74/75/90/575747590.db2.gz QBKLWNWRNRTKCD-BDAKNGLRSA-N 0 0 343.200 2.625 10 10 EFCERN COc1cccc(N2C[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])CC2=O)c1 ZINC000756515373 575752772 /nfs/dbraw/zinc/75/27/72/575752772.db2.gz MABMIPFFIKYKGR-TZMCWYRMSA-N 0 0 344.386 2.996 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756608274 575767365 /nfs/dbraw/zinc/76/73/65/575767365.db2.gz AAZOAHQEYUMNHW-GHMZBOCLSA-N 0 0 332.404 2.933 10 10 EFCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnnc2)cc1 ZINC000756747873 575783854 /nfs/dbraw/zinc/78/38/54/575783854.db2.gz ANEHBZISIQDSIN-UHFFFAOYSA-N 0 0 336.395 2.978 10 10 EFCERN Cc1cc(CCNC(=O)NC2(CO)CCC2)c(C)n1-c1ccccc1 ZINC000758318939 575866488 /nfs/dbraw/zinc/86/64/88/575866488.db2.gz LHHOAJSKNOWRPV-UHFFFAOYSA-N 0 0 341.455 2.851 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1noc(-c2ccccc2)n1 ZINC000759577580 575903778 /nfs/dbraw/zinc/90/37/78/575903778.db2.gz CATZOJNZWYSLBC-CLFYSBASSA-N 0 0 338.319 2.904 10 10 EFCERN CN(c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1)C1CC1 ZINC000759597277 575906752 /nfs/dbraw/zinc/90/67/52/575906752.db2.gz QIDKPJSMBDAVMU-CLTKARDFSA-N 0 0 346.408 2.910 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OCCOCCOc1ccccc1 ZINC000759598323 575907202 /nfs/dbraw/zinc/90/72/02/575907202.db2.gz WHDIRHHWBGYZIY-CLFYSBASSA-N 0 0 344.363 2.750 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](c2cccnc2)C2CC2)c1O ZINC000759687720 575921291 /nfs/dbraw/zinc/92/12/91/575921291.db2.gz UIBXSNLJDAXLFN-MRXNPFEDSA-N 0 0 327.384 2.746 10 10 EFCERN CC(C)Oc1ccc(N(C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000759933323 575957920 /nfs/dbraw/zinc/95/79/20/575957920.db2.gz MPIBRMZPMDUNFP-GOSISDBHSA-N 0 0 332.444 2.547 10 10 EFCERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000760955073 576093599 /nfs/dbraw/zinc/09/35/99/576093599.db2.gz NXHHKZIERABOLK-OOQRHLAZSA-N 0 0 333.428 2.805 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000761581157 576183810 /nfs/dbraw/zinc/18/38/10/576183810.db2.gz WVAPCBLFQDAVDS-IRWJRLHMSA-N 0 0 327.428 2.876 10 10 EFCERN COC(=O)c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000761622239 576188693 /nfs/dbraw/zinc/18/86/93/576188693.db2.gz FFTFBIXVPLXAJW-UHFFFAOYSA-N 0 0 344.367 2.557 10 10 EFCERN O=S1(=O)CC[C@H](c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)C1 ZINC000761626895 576189731 /nfs/dbraw/zinc/18/97/31/576189731.db2.gz NRGJIYDYHDRYSM-LBPRGKRZSA-N 0 0 347.371 2.569 10 10 EFCERN COc1cccc(-c2nc(C(=O)N(C)Cc3ccccc3O)no2)c1 ZINC000761714262 576202458 /nfs/dbraw/zinc/20/24/58/576202458.db2.gz VMPFRPIZNQFQEM-UHFFFAOYSA-N 0 0 339.351 2.723 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000761973485 576235872 /nfs/dbraw/zinc/23/58/72/576235872.db2.gz MUTSWYFKWYMXDS-UHFFFAOYSA-N 0 0 328.372 2.766 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000761981574 576237415 /nfs/dbraw/zinc/23/74/15/576237415.db2.gz HNIFDLMPZFNUFY-LLVKDONJSA-N 0 0 338.363 2.733 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2c(cc1O)CCCC2 ZINC000762263267 576282636 /nfs/dbraw/zinc/28/26/36/576282636.db2.gz DFMLUVVQLQWEPM-UHFFFAOYSA-N 0 0 327.380 2.655 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000762800487 576332484 /nfs/dbraw/zinc/33/24/84/576332484.db2.gz QTNYPOZASZRFQN-JTQLQIEISA-N 0 0 346.339 2.836 10 10 EFCERN CCCN(CC(C)(C)O)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000762953863 576350156 /nfs/dbraw/zinc/35/01/56/576350156.db2.gz QQSBFZYXHKDORM-CLFYSBASSA-N 0 0 336.388 2.768 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3ncc(C)cc3O)CC2)cc1 ZINC000763249666 576369472 /nfs/dbraw/zinc/36/94/72/576369472.db2.gz FPXOATUVSNTMOO-UHFFFAOYSA-N 0 0 341.411 2.503 10 10 EFCERN COc1cc(CN2CCN3C(=O)OCC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000763324752 576372585 /nfs/dbraw/zinc/37/25/85/576372585.db2.gz YCWMWVVPFKVCIG-AWEZNQCLSA-N 0 0 348.443 2.725 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1 ZINC000763477529 576378704 /nfs/dbraw/zinc/37/87/04/576378704.db2.gz MNUMRJIMOFJQMT-UHFFFAOYSA-N 0 0 343.431 2.793 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000763646702 576383861 /nfs/dbraw/zinc/38/38/61/576383861.db2.gz AFDSTXWCDCSBAC-WLRWDXFRSA-N 0 0 346.290 2.664 10 10 EFCERN Cc1cc(C(=O)NCc2noc(C3CC3)n2)c(C)n1-c1ccccn1 ZINC000764243671 576443802 /nfs/dbraw/zinc/44/38/02/576443802.db2.gz MRBBMOPPMXDKRI-UHFFFAOYSA-N 0 0 337.383 2.680 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000764894904 576519106 /nfs/dbraw/zinc/51/91/06/576519106.db2.gz MOECYYWEVUFHEF-GOSISDBHSA-N 0 0 345.487 2.748 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000764942058 576526963 /nfs/dbraw/zinc/52/69/63/576526963.db2.gz QPQWZXLGMGZYND-HYXAFXHYSA-N 0 0 332.356 2.540 10 10 EFCERN CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765002329 576535216 /nfs/dbraw/zinc/53/52/16/576535216.db2.gz ZWTJUDFRGPXAEX-NVXWUHKLSA-N 0 0 345.487 2.687 10 10 EFCERN CCCN(CCC)c1ccc([C@H]2NC(=O)[C@@H]3CSCCN32)cc1 ZINC000765511870 577049368 /nfs/dbraw/zinc/04/93/68/577049368.db2.gz CUMMZUNFFDJFOV-IRXDYDNUSA-N 0 0 333.501 2.859 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(O)c(F)c3)CC2)cc1 ZINC000767245075 577201561 /nfs/dbraw/zinc/20/15/61/577201561.db2.gz AIQKPQSBYWHRQN-UHFFFAOYSA-N 0 0 330.359 2.502 10 10 EFCERN Cc1cc(CCNC(=O)NCc2cccnn2)c(C)n1-c1ccccc1 ZINC000767884049 577240002 /nfs/dbraw/zinc/24/00/02/577240002.db2.gz VJXIZOXKCIIHES-UHFFFAOYSA-N 0 0 349.438 2.926 10 10 EFCERN Cc1nc(NCc2ccc(N3CCCCC3)cc2)nc(N(C)C)n1 ZINC000768525612 577280542 /nfs/dbraw/zinc/28/05/42/577280542.db2.gz KAUKQAOTAXRRID-UHFFFAOYSA-N 0 0 326.448 2.848 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000768562164 577283691 /nfs/dbraw/zinc/28/36/91/577283691.db2.gz LMOJTBIBNNMPBL-UHFFFAOYSA-N 0 0 348.349 2.747 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000768765292 577299980 /nfs/dbraw/zinc/29/99/80/577299980.db2.gz CPDBHESSMPQMSZ-SGTLLEGYSA-N 0 0 330.403 2.729 10 10 EFCERN C[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769325952 577352182 /nfs/dbraw/zinc/35/21/82/577352182.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 0 0 325.250 2.823 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)cc1 ZINC000726135011 577353300 /nfs/dbraw/zinc/35/33/00/577353300.db2.gz VQUHZVRAVBKALG-UHFFFAOYSA-N 0 0 328.334 2.686 10 10 EFCERN CCOc1ccc(CN(C)Cc2nc(-c3cccnc3)no2)c(O)c1 ZINC000769403508 577359881 /nfs/dbraw/zinc/35/98/81/577359881.db2.gz CRTIWJFEQHLNAA-UHFFFAOYSA-N 0 0 340.383 2.868 10 10 EFCERN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000769499467 577367400 /nfs/dbraw/zinc/36/74/00/577367400.db2.gz YPONLTPSSOBKBG-XJKSGUPXSA-N 0 0 344.377 2.675 10 10 EFCERN Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000769995136 577396887 /nfs/dbraw/zinc/39/68/87/577396887.db2.gz KCAHTZISANYVSX-OAHLLOKOSA-N 0 0 332.787 2.793 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CO)c1ccsc1 ZINC000770418525 577416892 /nfs/dbraw/zinc/41/68/92/577416892.db2.gz NREWPTLLXNGQEB-QGZVFWFLSA-N 0 0 343.452 2.657 10 10 EFCERN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)[nH]c1C ZINC000770680595 581125004 /nfs/dbraw/zinc/12/50/04/581125004.db2.gz MVIBRCFUUZMWGO-UHFFFAOYSA-N 0 0 342.443 2.504 10 10 EFCERN C[S@@](=O)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000771339819 581200566 /nfs/dbraw/zinc/20/05/66/581200566.db2.gz AEFMRCICGLQVCT-OAQYLSRUSA-N 0 0 340.495 2.793 10 10 EFCERN O=C(C1=CC(=O)CS1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771418022 581210078 /nfs/dbraw/zinc/21/00/78/581210078.db2.gz MWALDUBHNXOMNW-AWEZNQCLSA-N 0 0 348.468 2.709 10 10 EFCERN O=C(NCCCSc1nccs1)c1cc(-n2ccnc2)ccn1 ZINC000771508503 581219453 /nfs/dbraw/zinc/21/94/53/581219453.db2.gz HKMPIWKXJBLAKQ-UHFFFAOYSA-N 0 0 345.453 2.636 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000772454208 581324945 /nfs/dbraw/zinc/32/49/45/581324945.db2.gz UAMCPFGIGOPHMJ-FUHWJXTLSA-N 0 0 326.396 2.969 10 10 EFCERN CC(C)[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000772503395 581331339 /nfs/dbraw/zinc/33/13/39/581331339.db2.gz VYLLYRYJSNMJJA-SJORKVTESA-N 0 0 332.444 2.546 10 10 EFCERN CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000772714337 581358786 /nfs/dbraw/zinc/35/87/86/581358786.db2.gz WBTQQEBQOHIZTL-UHFFFAOYSA-N 0 0 332.444 2.535 10 10 EFCERN COc1cccc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000772768914 581365681 /nfs/dbraw/zinc/36/56/81/581365681.db2.gz LSBBNRXYUNMTHL-VURMDHGXSA-N 0 0 328.320 2.546 10 10 EFCERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021148 581388631 /nfs/dbraw/zinc/38/86/31/581388631.db2.gz ZAMVDPFTYDMHCD-LLVKDONJSA-N 0 0 328.372 2.855 10 10 EFCERN CCN1C(=O)/C(=C\c2ccc3c(c2)sc(=O)n3C)SC1=S ZINC000773126369 581398989 /nfs/dbraw/zinc/39/89/89/581398989.db2.gz SSMNIFBLCQKNLC-YRNVUSSQSA-N 0 0 336.463 2.821 10 10 EFCERN CCN1C(=O)/C(=C/c2ccc3c(c2)sc(=O)n3C)SC1=S ZINC000773126367 581399140 /nfs/dbraw/zinc/39/91/40/581399140.db2.gz SSMNIFBLCQKNLC-XFFZJAGNSA-N 0 0 336.463 2.821 10 10 EFCERN C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773621445 581451379 /nfs/dbraw/zinc/45/13/79/581451379.db2.gz YXDCICXDXJOUCO-XHDPSFHLSA-N 0 0 345.365 2.522 10 10 EFCERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773988397 581477178 /nfs/dbraw/zinc/47/71/78/581477178.db2.gz KJYWOBKAHRYNPD-WMLDXEAASA-N 0 0 348.491 2.808 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(OC)C1CC1 ZINC001709039028 1248817449 /nfs/dbraw/zinc/81/74/49/1248817449.db2.gz UGZLTEBLILZGIV-LJQANCHMSA-N 0 0 344.459 2.998 10 10 EFCERN CCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001745672125 1250019524 /nfs/dbraw/zinc/01/95/24/1250019524.db2.gz MPEQXSARNCGPMS-HNNXBMFYSA-N 0 0 330.432 2.924 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCC2(C)C)cc1 ZINC000850066129 1250256900 /nfs/dbraw/zinc/25/69/00/1250256900.db2.gz IQJOPLJVHYFPAL-MRXNPFEDSA-N 0 0 332.444 2.690 10 10 EFCERN Cc1cc(CCNC(=O)N[C@@H](CO)C(C)C)c(C)n1-c1ccccc1 ZINC001687219593 1248102376 /nfs/dbraw/zinc/10/23/76/1248102376.db2.gz VVQKKPZMOJQTKF-IBGZPJMESA-N 0 0 343.471 2.953 10 10 EFCERN COc1ccc(N2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000850345730 1250442078 /nfs/dbraw/zinc/44/20/78/1250442078.db2.gz IWKGGBCCDHOWCO-AWEZNQCLSA-N 0 0 343.383 2.678 10 10 EFCERN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1(=O)=O ZINC000850367963 1250451101 /nfs/dbraw/zinc/45/11/01/1250451101.db2.gz GCJYJIPZINVJOZ-LDYMZIIASA-N 0 0 338.256 2.754 10 10 EFCERN COc1ccc(N2CC[C@H](N[C@@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489294 1250500710 /nfs/dbraw/zinc/50/07/10/1250500710.db2.gz SMTYJAASHSSWFB-QFBILLFUSA-N 0 0 349.438 2.771 10 10 EFCERN COCc1n[nH]c(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000850514010 1250518835 /nfs/dbraw/zinc/51/88/35/1250518835.db2.gz KJWQYLBLBGGZAM-ZDUSSCGKSA-N 0 0 347.438 2.931 10 10 EFCERN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850566562 1250539118 /nfs/dbraw/zinc/53/91/18/1250539118.db2.gz NKVIIPASJCKJDR-JTQLQIEISA-N 0 0 330.331 2.891 10 10 EFCERN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CC[C@H](OC)C3)C2)cc1 ZINC000851099132 1250794804 /nfs/dbraw/zinc/79/48/04/1250794804.db2.gz OFSMIHJTCCGUPV-MPGHIAIKSA-N 0 0 333.428 2.880 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(N)ccc3C)C2)cc1 ZINC000851640342 1251160419 /nfs/dbraw/zinc/16/04/19/1251160419.db2.gz UMJGFEUVSVNHBX-OAHLLOKOSA-N 0 0 325.412 2.595 10 10 EFCERN COc1ccc2c(c1)CCCN2CC1=NS(=O)(=O)c2ccccc21 ZINC000851721838 1251222713 /nfs/dbraw/zinc/22/27/13/1251222713.db2.gz FWXUKJLQKDIILL-UHFFFAOYSA-N 0 0 342.420 2.639 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000588406755 1251534381 /nfs/dbraw/zinc/53/43/81/1251534381.db2.gz LXZPLHGKOARBGS-DOHQZPEGSA-N 0 0 325.364 2.757 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000180900950 1252559561 /nfs/dbraw/zinc/55/95/61/1252559561.db2.gz VHKGCWRUXDERES-UXBLZVDNSA-N 0 0 338.363 2.642 10 10 EFCERN COC(OC)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001626029927 1256966112 /nfs/dbraw/zinc/96/61/12/1256966112.db2.gz QHRBYLBXSSFFHI-CKDFRHGISA-N 0 0 343.379 2.587 10 10 EFCERN Cc1cccc2c1OC[C@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000922548917 1266227050 /nfs/dbraw/zinc/22/70/50/1266227050.db2.gz NXIVDTJFXYKKJC-CYBMUJFWSA-N 0 0 330.359 2.643 10 10 EFCERN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139644 1259679321 /nfs/dbraw/zinc/67/93/21/1259679321.db2.gz HHMJGXKAVKELMD-NSHDSACASA-N 0 0 333.657 2.944 10 10 EFCERN COc1cc(Cl)cc(CN2CCO[C@]3(CCSC3)C2)c1O ZINC000843418726 1260265620 /nfs/dbraw/zinc/26/56/20/1260265620.db2.gz XFIXNVSUCHLPCC-OAHLLOKOSA-N 0 0 329.849 2.762 10 10 EFCERN C[C@H]1C[C@H](C)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000791577816 1278168574 /nfs/dbraw/zinc/16/85/74/1278168574.db2.gz NEXAXDMTDKRKPT-STQMWFEESA-N 0 0 348.402 2.883 10 10 EFCERN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824653672 1278219338 /nfs/dbraw/zinc/21/93/38/1278219338.db2.gz FELPEDYFUJBDKX-MAZHCROVSA-N 0 0 325.836 2.716 10 10 EFCERN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824653671 1278220095 /nfs/dbraw/zinc/22/00/95/1278220095.db2.gz FELPEDYFUJBDKX-DAXOMENPSA-N 0 0 325.836 2.716 10 10 EFCERN CO[C@]12CCC[C@@]1(NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000922056271 1264231233 /nfs/dbraw/zinc/23/12/33/1264231233.db2.gz XLAUPAWWJMBTHB-ZMYBRWDISA-N 0 0 347.459 2.799 10 10 EFCERN CO[C@@]1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCSC1 ZINC000922056287 1264231553 /nfs/dbraw/zinc/23/15/53/1264231553.db2.gz XSTJOUMGWHYYGO-CXAGYDPISA-N 0 0 337.489 2.635 10 10 EFCERN O=C(NCCCSc1nccs1)c1cc(=O)c2ccccc2[nH]1 ZINC000733975135 1266797975 /nfs/dbraw/zinc/79/79/75/1266797975.db2.gz WNBCBNZGQJWORP-UHFFFAOYSA-N 0 0 345.449 2.897 10 10 EFCERN C[C@H]1Cn2nccc2N(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000922209937 1264931088 /nfs/dbraw/zinc/93/10/88/1264931088.db2.gz UQILNPQLAFXIFC-SECBINFHSA-N 0 0 329.381 2.806 10 10 EFCERN Cc1noc(CCNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000824682849 1278246365 /nfs/dbraw/zinc/24/63/65/1278246365.db2.gz NEYJDRZJZMMZRM-UHFFFAOYSA-N 0 0 338.411 2.687 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922695113 1266619563 /nfs/dbraw/zinc/61/95/63/1266619563.db2.gz LWDNAPKEJLYVFS-WCQYABFASA-N 0 0 334.294 2.890 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922695115 1266619906 /nfs/dbraw/zinc/61/99/06/1266619906.db2.gz LWDNAPKEJLYVFS-YPMHNXCESA-N 0 0 334.294 2.890 10 10 EFCERN CCOc1ccc(CNCc2nn(C)cc2Br)c(O)c1 ZINC000824780495 1278281064 /nfs/dbraw/zinc/28/10/64/1278281064.db2.gz QPTMINUCSCIPIN-UHFFFAOYSA-N 0 0 340.221 2.577 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000734426091 1266969470 /nfs/dbraw/zinc/96/94/70/1266969470.db2.gz JMDUIPYZQIGAGD-MRXNPFEDSA-N 0 0 339.439 2.728 10 10 EFCERN Cc1cc(C(=O)N2CC(Cc3cnn(C)c3)C2)c(C)n1-c1ccccn1 ZINC000825652025 1267127685 /nfs/dbraw/zinc/12/76/85/1267127685.db2.gz KXOXJBRBFKNWJX-UHFFFAOYSA-N 0 0 349.438 2.537 10 10 EFCERN C[C@@]1(C(=O)NCc2ccccc2O)CCCN1C(=O)c1ccccc1 ZINC000735116034 1267214267 /nfs/dbraw/zinc/21/42/67/1267214267.db2.gz YFIWAMLQGZTYNY-FQEVSTJZSA-N 0 0 338.407 2.703 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000824853298 1278314230 /nfs/dbraw/zinc/31/42/30/1278314230.db2.gz AFOSNFYTOAAXFM-YPMHNXCESA-N 0 0 342.233 2.976 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(F)ccn3)C2)cc1 ZINC000824855468 1278315153 /nfs/dbraw/zinc/31/51/53/1278315153.db2.gz KXFDGOLLWWHXNR-CYBMUJFWSA-N 0 0 330.363 2.630 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3cc(F)ccn3)C2)cc1 ZINC000824855481 1278316379 /nfs/dbraw/zinc/31/63/79/1278316379.db2.gz LIGGXFNRQPNXET-ZDUSSCGKSA-N 0 0 344.390 2.877 10 10 EFCERN Oc1cc(Br)ccc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000824855424 1278316655 /nfs/dbraw/zinc/31/66/55/1278316655.db2.gz KAWWCVMWHKRDPM-NSHDSACASA-N 0 0 340.139 2.654 10 10 EFCERN Cc1cc(Cl)cc(CN2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000824913754 1278339332 /nfs/dbraw/zinc/33/93/32/1278339332.db2.gz DSFJQTIPAJCPRG-AWEZNQCLSA-N 0 0 331.865 2.753 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1-c1ccncc1 ZINC001136972767 1278377199 /nfs/dbraw/zinc/37/71/99/1278377199.db2.gz YWLJCRAUVKZSPS-UHFFFAOYSA-N 0 0 349.394 2.577 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2[nH]cnc2c1F ZINC001136972734 1278378474 /nfs/dbraw/zinc/37/84/74/1278378474.db2.gz XUUWASJPLFMCHQ-UHFFFAOYSA-N 0 0 340.358 2.807 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3nccn3c2)c1 ZINC000738949898 1268584499 /nfs/dbraw/zinc/58/44/99/1268584499.db2.gz DHMIKRYTMJQHBU-NSHDSACASA-N 0 0 326.356 2.931 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)c1ncc2c(F)cccn21 ZINC001128607145 1268904488 /nfs/dbraw/zinc/90/44/88/1268904488.db2.gz NHGUSCMUWSHRLC-UHFFFAOYSA-N 0 0 331.694 2.915 10 10 EFCERN CCc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000740463723 1268958865 /nfs/dbraw/zinc/95/88/65/1268958865.db2.gz TVELGSVLNXUOBE-UHFFFAOYSA-N 0 0 348.378 2.534 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCOC2 ZINC000825234513 1278478755 /nfs/dbraw/zinc/47/87/55/1278478755.db2.gz RMGCMGNHPFTYEN-UHFFFAOYSA-N 0 0 328.368 2.535 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCOC2 ZINC000825234674 1278479106 /nfs/dbraw/zinc/47/91/06/1278479106.db2.gz VHFRXHUYSFTDPQ-GFCCVEGCSA-N 0 0 342.395 2.923 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC001137007213 1278479119 /nfs/dbraw/zinc/47/91/19/1278479119.db2.gz MXDSIHDAFGUDNJ-QGZVFWFLSA-N 0 0 341.407 2.706 10 10 EFCERN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000742391760 1270019496 /nfs/dbraw/zinc/01/94/96/1270019496.db2.gz MEPBVMWEZDPDSZ-DYLAAIIWSA-N 0 0 329.227 2.798 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn3c2C[C@H](C)CC3)c1 ZINC000843831760 1270052924 /nfs/dbraw/zinc/05/29/24/1270052924.db2.gz RCOMTVRGTSAVFC-VXGBXAGGSA-N 0 0 329.400 2.671 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn3c2C[C@@H](C)CC3)c1 ZINC000843831755 1270052944 /nfs/dbraw/zinc/05/29/44/1270052944.db2.gz RCOMTVRGTSAVFC-NWDGAFQWSA-N 0 0 329.400 2.671 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn3c2C[C@H](C)CC3)c1 ZINC000843831547 1270122171 /nfs/dbraw/zinc/12/21/71/1270122171.db2.gz RCOMTVRGTSAVFC-NEPJUHHUSA-N 0 0 329.400 2.671 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000825425924 1278547906 /nfs/dbraw/zinc/54/79/06/1278547906.db2.gz OWPPLQMQJXBASL-KXBFYZLASA-N 0 0 346.471 2.985 10 10 EFCERN O=C(c1cn2cccnc2n1)N(Cc1ccco1)Cc1ccccc1O ZINC000743432304 1270587730 /nfs/dbraw/zinc/58/77/30/1270587730.db2.gz IIESBLIIWXXYKH-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000843832808 1278600811 /nfs/dbraw/zinc/60/08/11/1278600811.db2.gz WWEFTFTVKOVJBK-NSHDSACASA-N 0 0 337.416 2.946 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000843852722 1278609367 /nfs/dbraw/zinc/60/93/67/1278609367.db2.gz ZTZMDGMWWSYNTH-LLVKDONJSA-N 0 0 337.416 2.513 10 10 EFCERN COc1ccc(O)c(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC000792190599 1278630038 /nfs/dbraw/zinc/63/00/38/1278630038.db2.gz XBTOKXJLOFZIGX-SFHVURJKSA-N 0 0 329.396 2.681 10 10 EFCERN Cc1cc(CCNC(=O)NC[C@@H](C)CCO)c(C)n1-c1ccccc1 ZINC000745392524 1271470089 /nfs/dbraw/zinc/47/00/89/1271470089.db2.gz WHDLTMPWAFKHMG-HNNXBMFYSA-N 0 0 343.471 2.954 10 10 EFCERN Cc1nc(S(=O)(=O)NCCCSc2nccs2)sc1C ZINC000746406466 1272187547 /nfs/dbraw/zinc/18/75/47/1272187547.db2.gz ZWWUHYWECPJWSK-UHFFFAOYSA-N 0 0 349.528 2.677 10 10 EFCERN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843936792 1278687716 /nfs/dbraw/zinc/68/77/16/1278687716.db2.gz UPGLQAXWLMBPQX-DGCLKSJQSA-N 0 0 335.400 2.538 10 10 EFCERN COC(=O)c1cc(CN2CCOc3cc(N(C)C)ccc32)cs1 ZINC001168858985 1272448995 /nfs/dbraw/zinc/44/89/95/1272448995.db2.gz IRUVSGZMUBNNDA-UHFFFAOYSA-N 0 0 332.425 3.000 10 10 EFCERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000844045702 1278731362 /nfs/dbraw/zinc/73/13/62/1278731362.db2.gz WMLUNMDJNLGMCD-UHFFFAOYSA-N 0 0 335.400 2.682 10 10 EFCERN CCCO[N-]C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000844087311 1278742506 /nfs/dbraw/zinc/74/25/06/1278742506.db2.gz LYADWKBIKLUPGI-UHFFFAOYSA-N 0 0 329.444 2.866 10 10 EFCERN C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000844212396 1278814841 /nfs/dbraw/zinc/81/48/41/1278814841.db2.gz IJNPCCKOKGCTRT-MXPWBENCSA-N 0 0 345.399 2.613 10 10 EFCERN COC(=O)c1cc(CN2CCOc3cc(N(C)C)ccc32)c(C)o1 ZINC000746493505 1273981943 /nfs/dbraw/zinc/98/19/43/1273981943.db2.gz YABWYQIDXSCDFT-UHFFFAOYSA-N 0 0 330.384 2.840 10 10 EFCERN COc1ccc(N2CCCN(c3ncc(SC)cn3)CC2)cc1 ZINC000804364513 1274002760 /nfs/dbraw/zinc/00/27/60/1274002760.db2.gz UUMDKHIHPRSUCH-UHFFFAOYSA-N 0 0 330.457 2.924 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ncccc3SC)CC2)cc1 ZINC000844283119 1278859301 /nfs/dbraw/zinc/85/93/01/1278859301.db2.gz ZPLOTOYBAVIAEW-UHFFFAOYSA-N 0 0 343.452 2.775 10 10 EFCERN CN(Cc1ccccc1O)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000785494447 1275099769 /nfs/dbraw/zinc/09/97/69/1275099769.db2.gz IQDFETMOPRLMOT-UHFFFAOYSA-N 0 0 346.330 2.627 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cc(Cc3ccccc3)n[nH]2)c1 ZINC000786410848 1275392223 /nfs/dbraw/zinc/39/22/23/1275392223.db2.gz UOJMKLMWZMHYDC-UHFFFAOYSA-N 0 0 337.379 2.645 10 10 EFCERN Cc1cc(CCNC(=O)[C@@](C)(O)C2CC2)c(C)n1-c1ccccc1 ZINC000804189768 1275469606 /nfs/dbraw/zinc/46/96/06/1275469606.db2.gz JOGMXSWSUBYAOX-FQEVSTJZSA-N 0 0 326.440 2.914 10 10 EFCERN CN1CCCc2cc(CNC(=O)C(C)(C)COCC(F)F)ccc21 ZINC000786849247 1275556306 /nfs/dbraw/zinc/55/63/06/1275556306.db2.gz TXGITKPEFMQXKR-UHFFFAOYSA-N 0 0 340.414 2.993 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000786973458 1275594647 /nfs/dbraw/zinc/59/46/47/1275594647.db2.gz NIXUVKCEROOVEY-BJWYYQGGSA-N 0 0 331.485 2.838 10 10 EFCERN C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000786944528 1275601911 /nfs/dbraw/zinc/60/19/11/1275601911.db2.gz GFALXHUXTGBCFM-MRVPVSSYSA-N 0 0 338.256 2.784 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000787064121 1275631129 /nfs/dbraw/zinc/63/11/29/1275631129.db2.gz JXZOEYGIZVMWDN-NKGKWGDASA-N 0 0 329.444 2.682 10 10 EFCERN COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])[C@@H]1C ZINC000787420958 1275771186 /nfs/dbraw/zinc/77/11/86/1275771186.db2.gz NJASYTGQRPQJRX-ZYHUDNBSSA-N 0 0 342.233 2.847 10 10 EFCERN COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])[C@H]1C ZINC000787420954 1275771368 /nfs/dbraw/zinc/77/13/68/1275771368.db2.gz NJASYTGQRPQJRX-JQWIXIFHSA-N 0 0 342.233 2.847 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](OC)c2ccc(O)cc2)c1 ZINC000787445275 1275780797 /nfs/dbraw/zinc/78/07/97/1275780797.db2.gz KQWFVRHZKLYUKY-APPDUMDISA-N 0 0 331.368 2.671 10 10 EFCERN Cn1c(=O)ccc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc21 ZINC000787622826 1275824883 /nfs/dbraw/zinc/82/48/83/1275824883.db2.gz OLSBMVUFIVJYMT-FPYGCLRLSA-N 0 0 336.347 2.602 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)cc1 ZINC000787832096 1275932445 /nfs/dbraw/zinc/93/24/45/1275932445.db2.gz HKOLQIDQMBRYQN-MRXNPFEDSA-N 0 0 334.366 2.936 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)OCc2nc(N(C)C)no2)cc1 ZINC000787982953 1276007373 /nfs/dbraw/zinc/00/73/73/1276007373.db2.gz KUSRRHKSKDXFJN-UHFFFAOYSA-N 0 0 340.383 2.900 10 10 EFCERN Cc1cc(C(=O)O[C@@H]2CCN(CCF)C2)c(C)n1-c1ccccn1 ZINC000788084562 1276034370 /nfs/dbraw/zinc/03/43/70/1276034370.db2.gz SDSODCYLFNKOFG-OAHLLOKOSA-N 0 0 331.391 2.690 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000788274772 1276123982 /nfs/dbraw/zinc/12/39/82/1276123982.db2.gz BIDQARMXWXVFCG-SJCJKPOMSA-N 0 0 330.403 2.871 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000788274774 1276124240 /nfs/dbraw/zinc/12/42/40/1276124240.db2.gz BIDQARMXWXVFCG-SJKOYZFVSA-N 0 0 330.403 2.871 10 10 EFCERN Cc1cc(CCNC(=O)N2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000788314117 1276143741 /nfs/dbraw/zinc/14/37/41/1276143741.db2.gz ZBVQHXHKYMWWGX-IFXJQAMLSA-N 0 0 341.455 2.801 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N(C)CCCCO)c2C)cc1 ZINC000788553449 1276216893 /nfs/dbraw/zinc/21/68/93/1276216893.db2.gz ZVWRINXWCSHQNH-UHFFFAOYSA-N 0 0 330.428 2.947 10 10 EFCERN C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(F)ccc1O ZINC000788611881 1276235774 /nfs/dbraw/zinc/23/57/74/1276235774.db2.gz ZMKROKBWJFDVOR-GFCCVEGCSA-N 0 0 343.402 2.548 10 10 EFCERN C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc(C(F)(F)F)c1[O-] ZINC000788768052 1276296252 /nfs/dbraw/zinc/29/62/52/1276296252.db2.gz YWELWCGJNVKMFR-MRVPVSSYSA-N 0 0 328.290 2.954 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cncc(O)c1 ZINC000922916513 1276327631 /nfs/dbraw/zinc/32/76/31/1276327631.db2.gz WASGTLNLELUIIA-AWEZNQCLSA-N 0 0 342.443 2.592 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001136025536 1276343306 /nfs/dbraw/zinc/34/33/06/1276343306.db2.gz OFOHNNRQKFSVDK-ZGKFYVQTSA-N 0 0 344.455 2.953 10 10 EFCERN CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)C1CC(C)(C)C1 ZINC000817828734 1276344327 /nfs/dbraw/zinc/34/43/27/1276344327.db2.gz NGHRBWLYDRAAQM-UHFFFAOYSA-N 0 0 345.487 2.714 10 10 EFCERN C[C@H]([NH2+]CCCNCc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940899 1276385141 /nfs/dbraw/zinc/38/51/41/1276385141.db2.gz OYHAGADDDAZAQJ-ZDUSSCGKSA-N 0 0 330.388 2.526 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C(C)(C)OC)C2)cc1 ZINC000922951476 1276394012 /nfs/dbraw/zinc/39/40/12/1276394012.db2.gz XJGHIMFPRKIUMN-HUUCEWRRSA-N 0 0 349.475 2.634 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1nccs1)C(F)(F)F ZINC000818322469 1276506594 /nfs/dbraw/zinc/50/65/94/1276506594.db2.gz OMWXNHGVYAWXIN-FXMSTWTQSA-N 0 0 344.314 2.987 10 10 EFCERN CC(C)C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(=O)[O-] ZINC000818630674 1276541110 /nfs/dbraw/zinc/54/11/10/1276541110.db2.gz ZTHNXNJAIAUWFQ-NSHDSACASA-N 0 0 330.222 2.991 10 10 EFCERN C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C(=O)[O-] ZINC000818631674 1276542050 /nfs/dbraw/zinc/54/20/50/1276542050.db2.gz MPEVWRJUQVYKSP-NOZJJQNGSA-N 0 0 328.206 2.840 10 10 EFCERN O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000819126777 1276641960 /nfs/dbraw/zinc/64/19/60/1276641960.db2.gz RTYVEZUFLGKMNB-IWAYRVGRSA-N 0 0 332.469 2.591 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCc2c1cccc2F ZINC000819164046 1276649625 /nfs/dbraw/zinc/64/96/25/1276649625.db2.gz FTUKOYMJXVKNEH-INIZCTEOSA-N 0 0 340.354 2.983 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCc2ccccc2C1 ZINC000819166074 1276650189 /nfs/dbraw/zinc/65/01/89/1276650189.db2.gz LOFKACPZHISJFG-QGZVFWFLSA-N 0 0 336.391 2.714 10 10 EFCERN O[C@H](CNc1ccccc1OCCF)COc1ccc2c(c1)OCO2 ZINC000819487787 1276792354 /nfs/dbraw/zinc/79/23/54/1276792354.db2.gz IFCKDXNTHOWALH-CYBMUJFWSA-N 0 0 349.358 2.615 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C(F)=C1CCC1 ZINC000819463093 1276800334 /nfs/dbraw/zinc/80/03/34/1276800334.db2.gz MNHKUEJKMUDWQF-UHFFFAOYSA-N 0 0 341.766 2.955 10 10 EFCERN CCc1cnccc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585563 1276828205 /nfs/dbraw/zinc/82/82/05/1276828205.db2.gz GGWGAYBLYLCUBI-HNNXBMFYSA-N 0 0 339.439 2.909 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)c3cccnc3)C2)cc1 ZINC000819584653 1276828598 /nfs/dbraw/zinc/82/85/98/1276828598.db2.gz NZSAUSOWIQVNJF-CVEARBPZSA-N 0 0 339.439 2.836 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)c3cccnc3)C2)cc1 ZINC000819584656 1276829642 /nfs/dbraw/zinc/82/96/42/1276829642.db2.gz NZSAUSOWIQVNJF-JKSUJKDBSA-N 0 0 339.439 2.836 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3cncc(Cl)c3)C2)cc1 ZINC000819588299 1276831056 /nfs/dbraw/zinc/83/10/56/1276831056.db2.gz WEMUUXLOJOPJEY-CYBMUJFWSA-N 0 0 345.830 3.000 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1ccc(C)o1 ZINC000819696439 1276877782 /nfs/dbraw/zinc/87/77/82/1276877782.db2.gz UIUZDAVFMSXNQO-UHFFFAOYSA-N 0 0 345.395 2.818 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)CC(F)(F)F ZINC000819699772 1276878858 /nfs/dbraw/zinc/87/88/58/1276878858.db2.gz KUPQUBAFGWXTEJ-LLVKDONJSA-N 0 0 347.333 2.872 10 10 EFCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000819974775 1276957378 /nfs/dbraw/zinc/95/73/78/1276957378.db2.gz RQZIQVCFXAKQKL-APWZRJJASA-N 0 0 346.471 2.687 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cnc3n2CCOC3)cc1 ZINC000819974496 1276957743 /nfs/dbraw/zinc/95/77/43/1276957743.db2.gz MWQYAICPLOLGKI-UHFFFAOYSA-N 0 0 342.443 2.532 10 10 EFCERN Cc1cc(C)c(N2CC[C@@H](NC(=O)C3=CC(=O)CS3)C2=O)c(C)c1 ZINC000789921295 1277072336 /nfs/dbraw/zinc/07/23/36/1277072336.db2.gz KZCPBYUECISEPC-CQSZACIVSA-N 0 0 344.436 2.914 10 10 EFCERN COc1ccccc1CN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001136318695 1277079237 /nfs/dbraw/zinc/07/92/37/1277079237.db2.gz NQCPVUNGLABLFM-UHFFFAOYSA-N 0 0 327.380 2.840 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C(F)(F)C2CCOCC2)cc1 ZINC000790229674 1277383939 /nfs/dbraw/zinc/38/39/39/1277383939.db2.gz ARACERXIUQBJCI-UHFFFAOYSA-N 0 0 326.387 2.773 10 10 EFCERN C[C@@H](NC(=O)c1cc(F)ccc1N)c1ccc(N2CCOCC2)cc1 ZINC001136442917 1277537915 /nfs/dbraw/zinc/53/79/15/1277537915.db2.gz JGDQXQCNYMWGBZ-CYBMUJFWSA-N 0 0 343.402 2.736 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1SC ZINC000790517408 1277626217 /nfs/dbraw/zinc/62/62/17/1277626217.db2.gz RCECFQHWYSXREG-UHFFFAOYSA-N 0 0 332.473 2.870 10 10 EFCERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000790739299 1277754054 /nfs/dbraw/zinc/75/40/54/1277754054.db2.gz YNMHOGNEIVCHTA-ZDUSSCGKSA-N 0 0 343.379 2.549 10 10 EFCERN O=C1c2ccccc2C(=O)N1CCN1CCc2c1c(F)ccc2F ZINC000815130078 1287318227 /nfs/dbraw/zinc/31/82/27/1287318227.db2.gz QUNNKICTDGCPPY-UHFFFAOYSA-N 0 0 328.318 2.624 10 10 EFCERN COc1cc(-c2noc(CNc3ccccc3NC(C)C)n2)ncn1 ZINC000871845514 1287319622 /nfs/dbraw/zinc/31/96/22/1287319622.db2.gz CZVBZKZROVTESH-UHFFFAOYSA-N 0 0 340.387 2.968 10 10 EFCERN CN(C)c1ccc(CN2CCN(C3CC3)C(=O)C2)c(C(F)(F)F)c1 ZINC000792827728 1279188064 /nfs/dbraw/zinc/18/80/64/1279188064.db2.gz QVRWDYRMYXBHIO-UHFFFAOYSA-N 0 0 341.377 2.578 10 10 EFCERN COc1ccccc1-c1ncc(C=C2SC(=S)NC2=O)cn1 ZINC000792857817 1279197434 /nfs/dbraw/zinc/19/74/34/1279197434.db2.gz GBMVXVQSTOPXSD-SDQBBNPISA-N 0 0 329.406 2.641 10 10 EFCERN Cc1cccn2cc(CNC(=O)c3ccc(N=NC(N)=O)cc3)nc12 ZINC001144179267 1279199497 /nfs/dbraw/zinc/19/94/97/1279199497.db2.gz XIZJYWIHNWNAMO-UHFFFAOYSA-N 0 0 336.355 2.735 10 10 EFCERN Cn1nccc1[C@H]1COCCN1Cc1cc2c(cc1O)CCCC2 ZINC000844757814 1279227096 /nfs/dbraw/zinc/22/70/96/1279227096.db2.gz SQSOQDMMZPDRBE-GOSISDBHSA-N 0 0 327.428 2.578 10 10 EFCERN C[C@@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC000815162841 1287335982 /nfs/dbraw/zinc/33/59/82/1287335982.db2.gz JODFICUHFFTWAL-OLZOCXBDSA-N 0 0 348.402 2.741 10 10 EFCERN COCc1ccnc(NC(=O)NCCCSc2nccs2)c1 ZINC000844837503 1279264459 /nfs/dbraw/zinc/26/44/59/1279264459.db2.gz KEUUNDPEWNXRJK-UHFFFAOYSA-N 0 0 338.458 2.988 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)n2nc(C)cc2C)cc1 ZINC000844854967 1279286391 /nfs/dbraw/zinc/28/63/91/1279286391.db2.gz WXISVKKKGFOSAG-MRXNPFEDSA-N 0 0 344.459 2.664 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cncc(Cl)c2)cc1 ZINC000844855817 1279286409 /nfs/dbraw/zinc/28/64/09/1279286409.db2.gz ANPNWNPWKMNGSM-UHFFFAOYSA-N 0 0 333.819 2.952 10 10 EFCERN COc1cccc(C[C@H](C)NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000792936742 1279289688 /nfs/dbraw/zinc/28/96/88/1279289688.db2.gz POWRGBBOJSXSKO-ZDUSSCGKSA-N 0 0 344.411 2.840 10 10 EFCERN COC[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000792970886 1279290908 /nfs/dbraw/zinc/29/09/08/1279290908.db2.gz MIVIEIUCRUUVRE-MRXNPFEDSA-N 0 0 330.384 2.588 10 10 EFCERN O=C([O-])C1CC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000871883983 1287337958 /nfs/dbraw/zinc/33/79/58/1287337958.db2.gz FMTPZUUBMPZEOL-UHFFFAOYSA-N 0 0 333.388 2.538 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000792951617 1279301800 /nfs/dbraw/zinc/30/18/00/1279301800.db2.gz CSXDSCJDPMMIHQ-ZWKOTPCHSA-N 0 0 348.406 2.933 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2nc(C)ncc2Cl)cc1 ZINC000844853703 1279311701 /nfs/dbraw/zinc/31/17/01/1279311701.db2.gz CAHFESYVVABMMI-UHFFFAOYSA-N 0 0 348.834 2.655 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844922044 1279343518 /nfs/dbraw/zinc/34/35/18/1279343518.db2.gz ZMRKKMQTINAICK-IUODEOHRSA-N 0 0 326.396 2.866 10 10 EFCERN Nc1cc(F)c(F)cc1C(=O)NCCCSc1nccs1 ZINC001144322792 1279420093 /nfs/dbraw/zinc/42/00/93/1279420093.db2.gz ZUXXVAJRWVOOAY-UHFFFAOYSA-N 0 0 329.397 2.916 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845078222 1279436448 /nfs/dbraw/zinc/43/64/48/1279436448.db2.gz RYZYZEDBWDSLES-SNVBAGLBSA-N 0 0 328.796 2.577 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000845248724 1279500600 /nfs/dbraw/zinc/50/06/00/1279500600.db2.gz QSFLFAWLKVZVIP-YJBOKZPZSA-N 0 0 331.460 2.819 10 10 EFCERN COc1cccc(CNC(=O)NCC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000845411536 1279602787 /nfs/dbraw/zinc/60/27/87/1279602787.db2.gz REEWQTAZIKJFPV-HUUCEWRRSA-N 0 0 330.787 2.905 10 10 EFCERN COc1cccc(CNC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000845411533 1279603662 /nfs/dbraw/zinc/60/36/62/1279603662.db2.gz REEWQTAZIKJFPV-GJZGRUSLSA-N 0 0 330.787 2.905 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000845833868 1279884767 /nfs/dbraw/zinc/88/47/67/1279884767.db2.gz ONXCWABWCFNNPL-OLZOCXBDSA-N 0 0 349.427 2.775 10 10 EFCERN Cc1cnc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000845924254 1279936551 /nfs/dbraw/zinc/93/65/51/1279936551.db2.gz JFLNECLTZWTUBV-CYBMUJFWSA-N 0 0 340.427 2.580 10 10 EFCERN Oc1ccccc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846017548 1279979877 /nfs/dbraw/zinc/97/98/77/1279979877.db2.gz GEUAOQXDKOIYAH-UHFFFAOYSA-N 0 0 338.386 2.729 10 10 EFCERN CCOC(=O)[C@@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000747172140 1280020682 /nfs/dbraw/zinc/02/06/82/1280020682.db2.gz HHFNCNVKVULUPD-LBPRGKRZSA-N 0 0 330.384 2.845 10 10 EFCERN CCOC(=O)[C@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000747172138 1280021039 /nfs/dbraw/zinc/02/10/39/1280021039.db2.gz HHFNCNVKVULUPD-GFCCVEGCSA-N 0 0 330.384 2.845 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2ccnn2C)cc1 ZINC000846116950 1280024350 /nfs/dbraw/zinc/02/43/50/1280024350.db2.gz ZGULBBVAERLLSV-LJQANCHMSA-N 0 0 328.460 2.840 10 10 EFCERN Nc1ccc(CCNC(=O)NCC[C@@H]2CCc3ccccc3N2)cc1 ZINC000846175201 1280058483 /nfs/dbraw/zinc/05/84/83/1280058483.db2.gz XUXGMFLTULAGFG-SFHVURJKSA-N 0 0 338.455 2.928 10 10 EFCERN C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846180569 1280060063 /nfs/dbraw/zinc/06/00/63/1280060063.db2.gz VIHYVPAAHWREHV-DJJJIMSYSA-N 0 0 342.395 2.828 10 10 EFCERN C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846180567 1280060234 /nfs/dbraw/zinc/06/02/34/1280060234.db2.gz VIHYVPAAHWREHV-BFUOFWGJSA-N 0 0 342.395 2.828 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CNc3ccccc3C2)c1 ZINC000846193951 1280065837 /nfs/dbraw/zinc/06/58/37/1280065837.db2.gz HTOZZCSKGWFZGV-JSGCOSHPSA-N 0 0 341.411 2.798 10 10 EFCERN CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252607 1280087848 /nfs/dbraw/zinc/08/78/48/1280087848.db2.gz ATKDJDHFDZGKBV-RISCZKNCSA-N 0 0 332.404 2.534 10 10 EFCERN CC(C)CCC1CC[NH+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846254538 1280088919 /nfs/dbraw/zinc/08/89/19/1280088919.db2.gz FTWPCQAJWKSESG-UHFFFAOYSA-N 0 0 346.431 2.781 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3ncccc3O)cc2)CC1 ZINC001144773387 1280108764 /nfs/dbraw/zinc/10/87/64/1280108764.db2.gz NHMXBJQKAZBAJO-UHFFFAOYSA-N 0 0 325.412 2.954 10 10 EFCERN Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000846332671 1280119613 /nfs/dbraw/zinc/11/96/13/1280119613.db2.gz USZJEYRDUSYXPD-DGCLKSJQSA-N 0 0 335.400 2.741 10 10 EFCERN Cc1cc(C(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1cccc(C)c1 ZINC000846439967 1280153314 /nfs/dbraw/zinc/15/33/14/1280153314.db2.gz BYRQEAXAAVVWEB-HXUWFJFHSA-N 0 0 342.439 2.674 10 10 EFCERN Cc1cc(C(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1ccccc1C ZINC000846439866 1280153479 /nfs/dbraw/zinc/15/34/79/1280153479.db2.gz AWLQYOOPYNXDIN-FQEVSTJZSA-N 0 0 342.439 2.674 10 10 EFCERN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476176 1280191510 /nfs/dbraw/zinc/19/15/10/1280191510.db2.gz JVYIVYIIEQFGES-INIZCTEOSA-N 0 0 328.815 2.874 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1cccc(C)c1 ZINC000846558859 1280277705 /nfs/dbraw/zinc/27/77/05/1280277705.db2.gz ILCYAYSCGAVSES-WOGXIUBCSA-N 0 0 342.464 2.748 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2C(C)C)cc1 ZINC000846659641 1280373749 /nfs/dbraw/zinc/37/37/49/1280373749.db2.gz VDZMYFBFLCFSOJ-UHFFFAOYSA-N 0 0 330.432 2.750 10 10 EFCERN C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CCCO1 ZINC000805192874 1280477282 /nfs/dbraw/zinc/47/72/82/1280477282.db2.gz NGJMSURPVMKVKR-AWEZNQCLSA-N 0 0 343.221 2.523 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001146247364 1280846562 /nfs/dbraw/zinc/84/65/62/1280846562.db2.gz LIIFSWAPSRRSRL-ACJLOTCBSA-N 0 0 342.782 2.572 10 10 EFCERN COC(=O)c1sccc1C(=O)NCc1cc(Cl)ccc1O ZINC001146246809 1280846812 /nfs/dbraw/zinc/84/68/12/1280846812.db2.gz GHVKMKMQOBXUSS-UHFFFAOYSA-N 0 0 325.773 2.824 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)cc1 ZINC001146261492 1280878649 /nfs/dbraw/zinc/87/86/49/1280878649.db2.gz KNSOHVSWDSGRDF-UHFFFAOYSA-N 0 0 340.265 2.860 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C3CCC3)CC1)cc2=O ZINC000872163068 1287455099 /nfs/dbraw/zinc/45/50/99/1287455099.db2.gz UZYYTQAYNKPKIS-ZDUSSCGKSA-N 0 0 344.415 2.535 10 10 EFCERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000806325988 1281041670 /nfs/dbraw/zinc/04/16/70/1281041670.db2.gz WSPBAOPQUBSKHK-FZMZJTMJSA-N 0 0 345.365 2.614 10 10 EFCERN CCn1nccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806389893 1281049148 /nfs/dbraw/zinc/04/91/48/1281049148.db2.gz AHWCPJZQXUIBOJ-UHFFFAOYSA-N 0 0 339.193 2.693 10 10 EFCERN Cc1nccc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806420322 1281054606 /nfs/dbraw/zinc/05/46/06/1281054606.db2.gz JKFYAZSLQUQMFH-UHFFFAOYSA-N 0 0 337.177 2.575 10 10 EFCERN CN(C)c1ccc(CN(C(=O)[C@H]2CCCC23OCCO3)C2CC2)cc1 ZINC000806423433 1281055230 /nfs/dbraw/zinc/05/52/30/1281055230.db2.gz ROPDTKAGPAIHPD-GOSISDBHSA-N 0 0 344.455 2.787 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCC1(F)F ZINC000806510856 1281074645 /nfs/dbraw/zinc/07/46/45/1281074645.db2.gz APZOAPJQMZHGQM-HNNXBMFYSA-N 0 0 339.386 2.510 10 10 EFCERN O=C(Cc1ccc(F)cn1)NCc1ccc(N2CCSCC2)cc1 ZINC000806506329 1281074706 /nfs/dbraw/zinc/07/47/06/1281074706.db2.gz PLBDJGBWHJXURG-UHFFFAOYSA-N 0 0 345.443 2.633 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1CC(F)F ZINC000806819449 1281157151 /nfs/dbraw/zinc/15/71/51/1281157151.db2.gz DBOZMNWQUUQICQ-HNNXBMFYSA-N 0 0 341.402 2.627 10 10 EFCERN C[C@](O)(C[C@H](O)CNc1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000872211135 1287478908 /nfs/dbraw/zinc/47/89/08/1287478908.db2.gz YANPQBGCZXMWOJ-ZWOKBUDYSA-N 0 0 349.471 2.958 10 10 EFCERN COC(=O)N(C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001147553345 1281201147 /nfs/dbraw/zinc/20/11/47/1281201147.db2.gz TXUPSLBQWMJHEN-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN Cc1nc(-c2ncccn2)sc1C(=O)NCc1cc(C)ccc1O ZINC001147957837 1281377696 /nfs/dbraw/zinc/37/76/96/1281377696.db2.gz YCEONZYKOVLNJE-UHFFFAOYSA-N 0 0 340.408 2.853 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc([N+](=O)[O-])c1 ZINC000808092825 1281533506 /nfs/dbraw/zinc/53/35/06/1281533506.db2.gz AJBSRUAILGAVLD-UHFFFAOYSA-N 0 0 327.358 2.778 10 10 EFCERN CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000808267042 1281635618 /nfs/dbraw/zinc/63/56/18/1281635618.db2.gz AAECQTYFKJEOHR-KRWDZBQOSA-N 0 0 339.439 2.692 10 10 EFCERN CC(=O)C(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000808499147 1281738938 /nfs/dbraw/zinc/73/89/38/1281738938.db2.gz LKEJBIPMEIEDRE-UHFFFAOYSA-N 0 0 333.167 2.854 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000808506766 1281745280 /nfs/dbraw/zinc/74/52/80/1281745280.db2.gz QTJFAHFEMHJDSU-VIFPVBQESA-N 0 0 345.214 2.631 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000808507608 1281745452 /nfs/dbraw/zinc/74/54/52/1281745452.db2.gz DPAZYSKEFUNQBQ-UHFFFAOYSA-N 0 0 330.336 2.790 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Br)cc1OC(C)C ZINC000808509298 1281747231 /nfs/dbraw/zinc/74/72/31/1281747231.db2.gz LMNXUWZFNLAVTD-UHFFFAOYSA-N 0 0 343.173 2.551 10 10 EFCERN COc1ccc(-c2ccc(C(=O)OCC(=O)C(C)=O)c(F)c2)cc1 ZINC000808515990 1281749195 /nfs/dbraw/zinc/74/91/95/1281749195.db2.gz UUBCZESETQZJTO-UHFFFAOYSA-N 0 0 330.311 2.816 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000808521399 1281751997 /nfs/dbraw/zinc/75/19/97/1281751997.db2.gz QMWLOBHYGZDWGQ-UHFFFAOYSA-N 0 0 339.775 2.640 10 10 EFCERN CC(=O)C(=O)COC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000808527283 1281753996 /nfs/dbraw/zinc/75/39/96/1281753996.db2.gz CPAYPPXGSLSOEX-IZZDOVSWSA-N 0 0 334.677 2.987 10 10 EFCERN O=C(COC(=O)c1cccc(O)c1O)c1ccnc(C(F)(F)F)c1 ZINC000808538577 1281767639 /nfs/dbraw/zinc/76/76/39/1281767639.db2.gz XPHSPXLNADMSQY-UHFFFAOYSA-N 0 0 341.241 2.551 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000808536876 1281768314 /nfs/dbraw/zinc/76/83/14/1281768314.db2.gz XOIUZHRAQPELCD-UHFFFAOYSA-N 0 0 339.391 2.634 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000808543138 1281771072 /nfs/dbraw/zinc/77/10/72/1281771072.db2.gz AMFPXCQZHXFATL-UHFFFAOYSA-N 0 0 334.331 2.612 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(F)c(Br)cc1Cl ZINC000808546176 1281772179 /nfs/dbraw/zinc/77/21/79/1281772179.db2.gz CNRKJCWJRBWZMX-UHFFFAOYSA-N 0 0 337.528 2.557 10 10 EFCERN COc1ncc(/C=C\C(=O)N(C)c2ccccc2Br)cn1 ZINC001131587715 1282072515 /nfs/dbraw/zinc/07/25/15/1282072515.db2.gz ZWIVGHZHSIPVEI-FPLPWBNLSA-N 0 0 348.200 2.924 10 10 EFCERN CCOC(=O)c1c(C)onc1CN(C)c1ccc(OC)c(OC)c1 ZINC000809936581 1282620049 /nfs/dbraw/zinc/62/00/49/1282620049.db2.gz HWBDPAJVXCSHAU-UHFFFAOYSA-N 0 0 334.372 2.813 10 10 EFCERN C[C@@H]1COCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805363421 1282944792 /nfs/dbraw/zinc/94/47/92/1282944792.db2.gz COEPDAHKHODZQQ-PELKAZGASA-N 0 0 333.215 2.923 10 10 EFCERN COc1cccc(CNC(=O)c2ccnc(-c3ccccc3)n2)c1O ZINC001150542681 1287634698 /nfs/dbraw/zinc/63/46/98/1287634698.db2.gz CPACDDYNMAWNDT-UHFFFAOYSA-N 0 0 335.363 2.788 10 10 EFCERN COc1ccc(N(CC(C)C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000747684265 1284067955 /nfs/dbraw/zinc/06/79/55/1284067955.db2.gz YIWAYAXEGHJKBJ-MJGOQNOKSA-N 0 0 337.460 2.714 10 10 EFCERN C[NH+](C)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715737472 1284321189 /nfs/dbraw/zinc/32/11/89/1284321189.db2.gz NTWCHWOVUCRLLA-UHFFFAOYSA-N 0 0 331.229 2.820 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000811487948 1284347065 /nfs/dbraw/zinc/34/70/65/1284347065.db2.gz CKXOEWDHEPPHMU-UHFFFAOYSA-N 0 0 344.323 2.747 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000715804917 1284367441 /nfs/dbraw/zinc/36/74/41/1284367441.db2.gz SJAUILZDQNDPQZ-ONGXEEELSA-N 0 0 330.197 2.762 10 10 EFCERN FC(F)(F)c1nnc(NCc2ccc(N3CCOCC3)cc2)o1 ZINC000811836473 1284666281 /nfs/dbraw/zinc/66/62/81/1284666281.db2.gz XFHALVFQHGFLPE-UHFFFAOYSA-N 0 0 328.294 2.537 10 10 EFCERN COCC[C@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000811942133 1284763774 /nfs/dbraw/zinc/76/37/74/1284763774.db2.gz SSLFLPBFVGKBAA-CQSZACIVSA-N 0 0 336.457 2.937 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000822503461 1289018075 /nfs/dbraw/zinc/01/80/75/1289018075.db2.gz SNUYBTRVBUSZHY-AWEZNQCLSA-N 0 0 326.400 2.799 10 10 EFCERN COCCn1c(CCC(C)C)nnc1N(C)Cc1ccccc1O ZINC000812100898 1284901812 /nfs/dbraw/zinc/90/18/12/1284901812.db2.gz LPUYBHPJDSQRFI-UHFFFAOYSA-N 0 0 332.448 2.855 10 10 EFCERN Oc1cc2c(cc1CN1CCn3c(cc4ccccc43)C1)[C@H](O)CO2 ZINC000812300591 1285066306 /nfs/dbraw/zinc/06/63/06/1285066306.db2.gz SKUVMXFLXVHZCY-LJQANCHMSA-N 0 0 336.391 2.789 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000812466033 1285162528 /nfs/dbraw/zinc/16/25/28/1285162528.db2.gz YEVKBQUDXIMSOQ-FPLPWBNLSA-N 0 0 349.431 2.615 10 10 EFCERN CC(=O)C(=O)COC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000812612511 1285289919 /nfs/dbraw/zinc/28/99/19/1285289919.db2.gz QHKDOWSONCLLBW-MRVPVSSYSA-N 0 0 345.164 2.783 10 10 EFCERN O=C(C[C@@H](O)Cc1ccccc1)NCCCSc1nccs1 ZINC000813450756 1285915053 /nfs/dbraw/zinc/91/50/53/1285915053.db2.gz BBVUDEATCQFCNW-AWEZNQCLSA-N 0 0 336.482 2.735 10 10 EFCERN CCC(=O)Nc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000813513594 1285956319 /nfs/dbraw/zinc/95/63/19/1285956319.db2.gz PRXSLPPKOXZJAR-GFCCVEGCSA-N 0 0 342.395 2.807 10 10 EFCERN CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000813513595 1285956881 /nfs/dbraw/zinc/95/68/81/1285956881.db2.gz PRXSLPPKOXZJAR-LBPRGKRZSA-N 0 0 342.395 2.807 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CC2CCN(OC)CC2)cc1 ZINC000822606873 1289043911 /nfs/dbraw/zinc/04/39/11/1289043911.db2.gz BJKZEAVLHLUEEG-UHFFFAOYSA-N 0 0 333.476 2.813 10 10 EFCERN COC(=O)[C@H](CF)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000813691186 1286066730 /nfs/dbraw/zinc/06/67/30/1286066730.db2.gz UWNVLIAPSYOTPZ-HNNXBMFYSA-N 0 0 332.375 2.643 10 10 EFCERN CC[C@H](C)CONC(=O)NCc1cc(Br)ccc1O ZINC000813830191 1286132022 /nfs/dbraw/zinc/13/20/22/1286132022.db2.gz CSDUHFWSXNJZRJ-VIFPVBQESA-N 0 0 331.210 2.932 10 10 EFCERN COCC(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000813839833 1286153278 /nfs/dbraw/zinc/15/32/78/1286153278.db2.gz AQTRMPJUVOHJGU-UHFFFAOYSA-N 0 0 345.237 2.627 10 10 EFCERN C/C(=C\C(=O)N1C[C@H](C)Oc2cc(F)c(F)cc21)c1cnccn1 ZINC001134155043 1286384811 /nfs/dbraw/zinc/38/48/11/1286384811.db2.gz RUYOEYCXVYCJLG-UAWPZABVSA-N 0 0 331.322 2.972 10 10 EFCERN COC[C@@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001134212733 1286450231 /nfs/dbraw/zinc/45/02/31/1286450231.db2.gz AXJUBZDLJRPHHF-LJQANCHMSA-N 0 0 342.439 2.510 10 10 EFCERN C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822688161 1289081981 /nfs/dbraw/zinc/08/19/81/1289081981.db2.gz LLOCIVJJHXSRPE-AWEZNQCLSA-N 0 0 346.402 2.750 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@](C)(c2noc(C)n2)C2CC2)c1O ZINC000814670991 1286912349 /nfs/dbraw/zinc/91/23/49/1286912349.db2.gz NOKODIJSFIYSLE-KRWDZBQOSA-N 0 0 333.363 2.840 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCc3cccc(O)c32)cc1F ZINC000814671610 1286913065 /nfs/dbraw/zinc/91/30/65/1286913065.db2.gz BOTUOERLAKAPCP-AWEZNQCLSA-N 0 0 328.387 2.944 10 10 EFCERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819747 1289122431 /nfs/dbraw/zinc/12/24/31/1289122431.db2.gz ZKHCSXWTUDELSQ-PKOBYXMFSA-N 0 0 346.471 2.735 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCc1cncc(C)n1 ZINC000822830185 1289126829 /nfs/dbraw/zinc/12/68/29/1289126829.db2.gz DSZIMPGNYCJSON-UHFFFAOYSA-N 0 0 328.416 2.655 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000816028635 1287961179 /nfs/dbraw/zinc/96/11/79/1287961179.db2.gz KRCUGGDBNOWJLQ-FZMZJTMJSA-N 0 0 327.380 2.581 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cscc1Br ZINC001176576603 1288045310 /nfs/dbraw/zinc/04/53/10/1288045310.db2.gz PCPVAGPNCSBDEL-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](OC)C3CCCC3)CC2)cc1 ZINC000822919295 1289153982 /nfs/dbraw/zinc/15/39/82/1289153982.db2.gz ILCPBKRBIROLHU-LJQANCHMSA-N 0 0 346.471 2.939 10 10 EFCERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1cc(O)ccc1O ZINC001176754939 1288120470 /nfs/dbraw/zinc/12/04/70/1288120470.db2.gz JCTMKNCXVZVXIT-SNVBAGLBSA-N 0 0 331.393 2.611 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001176756061 1288120969 /nfs/dbraw/zinc/12/09/69/1288120969.db2.gz WAWMEXPOIROULF-JKSUJKDBSA-N 0 0 329.421 2.861 10 10 EFCERN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573713 1288212815 /nfs/dbraw/zinc/21/28/15/1288212815.db2.gz IRGQLRAMRPTBBY-NEPJUHHUSA-N 0 0 345.798 2.727 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)cc1 ZINC000816822346 1288289408 /nfs/dbraw/zinc/28/94/08/1288289408.db2.gz HZPQCVMIPGCQGH-UHFFFAOYSA-N 0 0 337.427 2.753 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001135800200 1288391610 /nfs/dbraw/zinc/39/16/10/1288391610.db2.gz AZJBLTGMVRVVER-DLBZAZTESA-N 0 0 343.471 2.537 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](O)CC12CCC2 ZINC000817154857 1288444726 /nfs/dbraw/zinc/44/47/26/1288444726.db2.gz PQQXNZBEFMSUKM-SFHVURJKSA-N 0 0 343.471 2.876 10 10 EFCERN Cc1cc(CNC(=O)c2cc(=O)[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC001170858132 1288509895 /nfs/dbraw/zinc/50/98/95/1288509895.db2.gz NLDIOVMDFUEGPJ-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN Cc1cc(C(=O)N2CC[C@H](c3ncon3)C2)c(C)n1-c1ccccn1 ZINC001177654354 1288512501 /nfs/dbraw/zinc/51/25/01/1288512501.db2.gz RALJGDPCKOGGQR-AWEZNQCLSA-N 0 0 337.383 2.502 10 10 EFCERN Cn1cc(Cl)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000817274402 1288520048 /nfs/dbraw/zinc/52/00/48/1288520048.db2.gz CTYYTOYTMNMCCC-AWEZNQCLSA-N 0 0 335.835 2.960 10 10 EFCERN CCOCCNC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381266 1288568702 /nfs/dbraw/zinc/56/87/02/1288568702.db2.gz FMXYNGLUQCXTMO-UHFFFAOYSA-N 0 0 340.851 2.862 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(OC)CC3)C2)cc1 ZINC000852378177 1299682067 /nfs/dbraw/zinc/68/20/67/1299682067.db2.gz JAGYHRCDPOMDCK-ISXOHVOVSA-N 0 0 347.459 2.531 10 10 EFCERN COC[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001178585912 1288817270 /nfs/dbraw/zinc/81/72/70/1288817270.db2.gz LEEJTEATLGGMNV-KRWDZBQOSA-N 0 0 342.439 2.890 10 10 EFCERN CCCc1c(C(=O)NCc2c(O)cccc2O)[nH]c(C)c1C(C)=O ZINC001178912743 1288979876 /nfs/dbraw/zinc/97/98/76/1288979876.db2.gz XEFVHEBPQXWAOW-UHFFFAOYSA-N 0 0 330.384 2.819 10 10 EFCERN Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1C ZINC001178912894 1288980321 /nfs/dbraw/zinc/98/03/21/1288980321.db2.gz XXVWNEZMRBGYOS-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCSc1nccs1 ZINC001136661841 1289185546 /nfs/dbraw/zinc/18/55/46/1289185546.db2.gz RJCVVQDONCTBGJ-UHFFFAOYSA-N 0 0 338.414 2.546 10 10 EFCERN CCCNC(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823068151 1289202697 /nfs/dbraw/zinc/20/26/97/1289202697.db2.gz OIIOPHDKTJRARB-UHFFFAOYSA-N 0 0 341.455 2.669 10 10 EFCERN COc1cnc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000823234063 1289236626 /nfs/dbraw/zinc/23/66/26/1289236626.db2.gz LYOLDYBMECLGLP-LLVKDONJSA-N 0 0 348.428 2.561 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nccn1C ZINC000823816432 1289452113 /nfs/dbraw/zinc/45/21/13/1289452113.db2.gz SVXLFJJBQVGHET-AWEZNQCLSA-N 0 0 329.448 2.779 10 10 EFCERN CO[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000823835402 1289463685 /nfs/dbraw/zinc/46/36/85/1289463685.db2.gz YVLGYYUKHDJCOV-RDTXWAMCSA-N 0 0 332.444 2.516 10 10 EFCERN Cc1cnn(C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000824381158 1289635402 /nfs/dbraw/zinc/63/54/02/1289635402.db2.gz UDIXRDRWYBJKFR-HNNXBMFYSA-N 0 0 344.415 2.647 10 10 EFCERN Cc1cnn(C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824381160 1289635628 /nfs/dbraw/zinc/63/56/28/1289635628.db2.gz UDIXRDRWYBJKFR-OAHLLOKOSA-N 0 0 344.415 2.647 10 10 EFCERN COc1ccc(N2CCC(NC(=O)Nc3c(C)cnn3C)CC2)cc1 ZINC000824386243 1289636015 /nfs/dbraw/zinc/63/60/15/1289636015.db2.gz CUNGSRCDHMKANP-UHFFFAOYSA-N 0 0 343.431 2.528 10 10 EFCERN O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000824516177 1289679019 /nfs/dbraw/zinc/67/90/19/1289679019.db2.gz KAFZHVJLZHJPKX-LBPRGKRZSA-N 0 0 337.828 2.706 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636063 1289733090 /nfs/dbraw/zinc/73/30/90/1289733090.db2.gz LPESJDWLUZFDOM-MJGOQNOKSA-N 0 0 331.387 2.701 10 10 EFCERN COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637211 1289734063 /nfs/dbraw/zinc/73/40/63/1289734063.db2.gz WSJPWRWUZAZYSJ-LPHOPBHVSA-N 0 0 331.387 2.701 10 10 EFCERN CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H](O)C(F)F ZINC000824637516 1289734224 /nfs/dbraw/zinc/73/42/24/1289734224.db2.gz XOEGMXRIHFXPBZ-JQWIXIFHSA-N 0 0 338.192 2.957 10 10 EFCERN CCOc1ccc(NC(=O)NCc2cccc(OC)c2O)nc1C ZINC000825892910 1290985303 /nfs/dbraw/zinc/98/53/03/1290985303.db2.gz JXPSJWYMTZFIRU-UHFFFAOYSA-N 0 0 331.372 2.825 10 10 EFCERN Oc1ccc(Br)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000093611448 1291179877 /nfs/dbraw/zinc/17/98/77/1291179877.db2.gz AWQPXLSBRJVQAC-LLVKDONJSA-N 0 0 340.139 2.654 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](N)C(F)(F)F ZINC000826035956 1291623414 /nfs/dbraw/zinc/62/34/14/1291623414.db2.gz QGAYJBSNMIODRE-AWEZNQCLSA-N 0 0 329.366 2.525 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000826036088 1291640172 /nfs/dbraw/zinc/64/01/72/1291640172.db2.gz WIICTTROGNENFY-NVXWUHKLSA-N 0 0 327.384 2.507 10 10 EFCERN CCc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000775390750 1292186653 /nfs/dbraw/zinc/18/66/53/1292186653.db2.gz UWFSDSFEPUEVQB-UHFFFAOYSA-N 0 0 328.416 2.798 10 10 EFCERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403065 1292258173 /nfs/dbraw/zinc/25/81/73/1292258173.db2.gz FXNODOHIQBIZCH-LSDHHAIUSA-N 0 0 342.439 2.890 10 10 EFCERN C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)c1ccccc1O ZINC001151891856 1292306359 /nfs/dbraw/zinc/30/63/59/1292306359.db2.gz BRHMQRLCEWIMGT-QWRGUYRKSA-N 0 0 326.352 2.603 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000880047590 1292346494 /nfs/dbraw/zinc/34/64/94/1292346494.db2.gz VDXZAQVFYGWNGC-ZDUSSCGKSA-N 0 0 335.297 2.887 10 10 EFCERN COc1nscc1CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001192108026 1292776999 /nfs/dbraw/zinc/77/69/99/1292776999.db2.gz OMVZWOKIMQJDBN-UHFFFAOYSA-N 0 0 337.420 2.622 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000796303697 1292820662 /nfs/dbraw/zinc/82/06/62/1292820662.db2.gz CSFPPNKRSWLFOG-OQPBUACISA-N 0 0 335.297 2.886 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccn(Cc2ccccc2)n1 ZINC000803665874 1312959676 /nfs/dbraw/zinc/95/96/76/1312959676.db2.gz RBUJNJNLDJTDES-VQHVLOKHSA-N 0 0 349.390 2.672 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000883694552 1293678823 /nfs/dbraw/zinc/67/88/23/1293678823.db2.gz GPJZAJSAVMFTHA-RKVPGOIHSA-N 0 0 333.476 2.547 10 10 EFCERN O=C(NCCCC1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000133191485 1293790459 /nfs/dbraw/zinc/79/04/59/1293790459.db2.gz MIEFTPOMBRFBRG-UHFFFAOYSA-N 0 0 345.487 2.885 10 10 EFCERN CCOC(=O)c1cc(CN2CCCc3cc(OC)cc(OC)c32)on1 ZINC001195176727 1293839987 /nfs/dbraw/zinc/83/99/87/1293839987.db2.gz CIRWVASAJQKJMD-UHFFFAOYSA-N 0 0 346.383 2.821 10 10 EFCERN C[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000867124411 1294005845 /nfs/dbraw/zinc/00/58/45/1294005845.db2.gz ASGOWDPARYEQBL-DGCLKSJQSA-N 0 0 332.416 2.778 10 10 EFCERN COCCc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775678280 1294103857 /nfs/dbraw/zinc/10/38/57/1294103857.db2.gz NYAXDVSDKQHZPJ-ZDUSSCGKSA-N 0 0 345.447 2.558 10 10 EFCERN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000884982874 1294297131 /nfs/dbraw/zinc/29/71/31/1294297131.db2.gz LEHJFPOEXOKRBG-UHFFFAOYSA-N 0 0 337.470 2.612 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Br)ccc1C1CC1 ZINC000885199137 1294356546 /nfs/dbraw/zinc/35/65/46/1294356546.db2.gz PCPKYOSJZIPHAY-UHFFFAOYSA-N 0 0 325.158 2.641 10 10 EFCERN CCOC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(N(C)C)cc2)C1 ZINC000096623771 1294501699 /nfs/dbraw/zinc/50/16/99/1294501699.db2.gz LVLDAVSFKOKDAR-CKDIWJPDSA-N 0 0 330.428 2.568 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2coc(COC)n2)cc1F ZINC000775843720 1295026971 /nfs/dbraw/zinc/02/69/71/1295026971.db2.gz VWCHFNRNPCCETN-UHFFFAOYSA-N 0 0 335.379 2.736 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)n(C)n2)cc1F ZINC000775907897 1295292683 /nfs/dbraw/zinc/29/26/83/1295292683.db2.gz UDBAFJFOPWIPIT-UHFFFAOYSA-N 0 0 349.410 2.736 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000867301581 1295416812 /nfs/dbraw/zinc/41/68/12/1295416812.db2.gz ATYOZUSEHHRTMH-SLHHOWHOSA-N 0 0 345.439 2.931 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000826692171 1295951525 /nfs/dbraw/zinc/95/15/25/1295951525.db2.gz BUDIESUQKVMVHZ-DBWMJRBXSA-N 0 0 346.383 2.786 10 10 EFCERN Cc1cc(/C=C\C(=O)NCC[S@@](C)=O)c(C)n1-c1ccc(C)cc1 ZINC000098010303 1296285216 /nfs/dbraw/zinc/28/52/16/1296285216.db2.gz WVVFJKUSFFPWKQ-DUFUGNAASA-N 0 0 344.480 2.910 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000925118717 1296800413 /nfs/dbraw/zinc/80/04/13/1296800413.db2.gz AXSTWVJRMIYEGF-CZUORRHYSA-N 0 0 346.358 2.672 10 10 EFCERN CCC1(CC)CN(Cc2cc(C)c(C)cc2O)CCS1(=O)=O ZINC000777579716 1296885415 /nfs/dbraw/zinc/88/54/15/1296885415.db2.gz GGNFVYKTXHWDJW-UHFFFAOYSA-N 0 0 325.474 2.798 10 10 EFCERN CCn1cc(C(=O)NCc2c(O)cccc2F)c(C(F)(F)F)n1 ZINC000928708534 1297126533 /nfs/dbraw/zinc/12/65/33/1297126533.db2.gz NTQVGIJSCPAQDE-UHFFFAOYSA-N 0 0 331.269 2.697 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3ncccc3C)CC2)cc1 ZINC000145247101 1297233199 /nfs/dbraw/zinc/23/31/99/1297233199.db2.gz FLXJDUIONRWZHW-UHFFFAOYSA-N 0 0 326.400 2.753 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000776251656 1297261777 /nfs/dbraw/zinc/26/17/77/1297261777.db2.gz QTLMPARJNXTJER-CQSZACIVSA-N 0 0 330.340 2.620 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000776248306 1297272741 /nfs/dbraw/zinc/27/27/41/1297272741.db2.gz XTNCHXONVOWIRJ-JQFCIGGWSA-N 0 0 346.475 2.547 10 10 EFCERN O=C(Nc1cccc(C2OCCO2)c1)N1Cc2cccc(O)c2C1 ZINC000931097894 1297312403 /nfs/dbraw/zinc/31/24/03/1297312403.db2.gz AQIQMMNGZUPELT-UHFFFAOYSA-N 0 0 326.352 2.985 10 10 EFCERN Cc1ccccc1NC(=S)NNc1cccc(S(C)(=O)=O)c1 ZINC000776267633 1297316629 /nfs/dbraw/zinc/31/66/29/1297316629.db2.gz LONJSBBHLCAMJE-UHFFFAOYSA-N 0 0 335.454 2.712 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000778017317 1297360190 /nfs/dbraw/zinc/36/01/90/1297360190.db2.gz FOPKFBOISZZNMS-IRLXHUAMSA-N 0 0 348.399 2.768 10 10 EFCERN O=C(N[C@@H](CO)c1cccc(Br)c1)C1=CC(=O)CS1 ZINC000778510229 1297684511 /nfs/dbraw/zinc/68/45/11/1297684511.db2.gz DLSNKFZXHFBRMB-NSHDSACASA-N 0 0 342.214 2.680 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000779490494 1298322099 /nfs/dbraw/zinc/32/20/99/1298322099.db2.gz ABCQAILQWZIGEA-WAPJZHGLSA-N 0 0 340.379 2.586 10 10 EFCERN CCOC(=O)CCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779533763 1298328285 /nfs/dbraw/zinc/32/82/85/1298328285.db2.gz IUCSSHADOUPMAZ-QPJJXVBHSA-N 0 0 347.411 2.693 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3cn4cccnc4n3)cc2)CC1 ZINC000108295498 1298532548 /nfs/dbraw/zinc/53/25/48/1298532548.db2.gz STHBIGPYRPPEMJ-UHFFFAOYSA-N 0 0 349.438 2.896 10 10 EFCERN [NH3+][C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000903983548 1313535268 /nfs/dbraw/zinc/53/52/68/1313535268.db2.gz INKOQNRGTHWCJG-PSASIEDQSA-N 0 0 326.721 2.896 10 10 EFCERN COc1ccc(N2CCC(NC(=O)Nc3ccnnc3C)CC2)cc1 ZINC000776495031 1299315191 /nfs/dbraw/zinc/31/51/91/1299315191.db2.gz KEBYZHHGSZXWCG-UHFFFAOYSA-N 0 0 341.415 2.584 10 10 EFCERN COc1cc(N(C)CC[C@@H]2COC(C)(C)O2)cc(OC)c1OC ZINC000851782576 1299392493 /nfs/dbraw/zinc/39/24/93/1299392493.db2.gz AZNQKCMPNZVPHF-CYBMUJFWSA-N 0 0 325.405 2.690 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)Cc3ccco3)C2)cc1 ZINC000851954878 1299483465 /nfs/dbraw/zinc/48/34/65/1299483465.db2.gz QFYLRQCLNDEFBD-LSDHHAIUSA-N 0 0 343.427 2.797 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccoc3C)C2)cc1 ZINC000851998636 1299497984 /nfs/dbraw/zinc/49/79/84/1299497984.db2.gz IQEZTHKKURGVTE-HNNXBMFYSA-N 0 0 329.400 2.675 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCOCCC(C)C)C2)cc1 ZINC000852021523 1299509854 /nfs/dbraw/zinc/50/98/54/1299509854.db2.gz ITEFLJUPFFVFHX-INIZCTEOSA-N 0 0 349.475 2.636 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ncc(C)s3)C2)cc1 ZINC000852146949 1299566099 /nfs/dbraw/zinc/56/60/99/1299566099.db2.gz WXHKTBLRIXTPMC-ZDUSSCGKSA-N 0 0 346.456 2.538 10 10 EFCERN CC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000852178525 1299580797 /nfs/dbraw/zinc/58/07/97/1299580797.db2.gz WPKMACNFNTVDAP-UHFFFAOYSA-N 0 0 331.460 2.637 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852235446 1299609935 /nfs/dbraw/zinc/60/99/35/1299609935.db2.gz QGGUWJPJFGLUCN-QKPAOTATSA-N 0 0 347.459 2.529 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(F)(F)F)C2)cc1 ZINC000852255382 1299618942 /nfs/dbraw/zinc/61/89/42/1299618942.db2.gz XGWSMRQTYQPZLO-NWDGAFQWSA-N 0 0 345.365 2.914 10 10 EFCERN COC(=O)C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852260903 1299620854 /nfs/dbraw/zinc/62/08/54/1299620854.db2.gz GHHSWFQDCHGHTI-CZUORRHYSA-N 0 0 347.459 2.702 10 10 EFCERN CCOC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852273942 1299626742 /nfs/dbraw/zinc/62/67/42/1299626742.db2.gz AJALUHIYTXRTSJ-CRAIPNDOSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3occc3C)C2)cc1 ZINC000852353699 1299672497 /nfs/dbraw/zinc/67/24/97/1299672497.db2.gz MURGZSMXEZNYMF-CQSZACIVSA-N 0 0 329.400 2.675 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](CC(C)C)OC)C2)cc1 ZINC000852384594 1299684171 /nfs/dbraw/zinc/68/41/71/1299684171.db2.gz FGIPMPLWAQJTMN-CRAIPNDOSA-N 0 0 349.475 2.634 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000852384217 1299684182 /nfs/dbraw/zinc/68/41/82/1299684182.db2.gz AJUPZEOFRAAINS-JQHSSLGASA-N 0 0 345.487 2.670 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1nccn1C ZINC000852384638 1299684202 /nfs/dbraw/zinc/68/42/02/1299684202.db2.gz FSCYOHGSSUVQCY-CABCVRRESA-N 0 0 343.475 2.786 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)c1nccn1C ZINC000852384645 1299684331 /nfs/dbraw/zinc/68/43/31/1299684331.db2.gz FSCYOHGSSUVQCY-LSDHHAIUSA-N 0 0 343.475 2.786 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCCc3ccco3)C2)cc1 ZINC000852450811 1299709665 /nfs/dbraw/zinc/70/96/65/1299709665.db2.gz WRMXFTVFPCYDPL-OAHLLOKOSA-N 0 0 343.427 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)S[C@@H](C)C3)C2)cc1 ZINC000852455063 1299710137 /nfs/dbraw/zinc/71/01/37/1299710137.db2.gz RYDASGJEFCBRQR-ZNMIVQPWSA-N 0 0 349.500 2.809 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3ccoc3)C2)cc1 ZINC000852454447 1299710392 /nfs/dbraw/zinc/71/03/92/1299710392.db2.gz PMGVOSIYCPQFQP-OAHLLOKOSA-N 0 0 329.400 2.709 10 10 EFCERN CC[C@@H](COCC1CC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852466785 1299715099 /nfs/dbraw/zinc/71/50/99/1299715099.db2.gz VWCIFUOBUCECNL-JSGCOSHPSA-N 0 0 336.432 2.966 10 10 EFCERN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000852582015 1299768843 /nfs/dbraw/zinc/76/88/43/1299768843.db2.gz YFYUCMBWDOLVGN-RHSMWYFYSA-N 0 0 331.460 2.826 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](CC(F)(F)F)C2)c1O ZINC000852740470 1299850504 /nfs/dbraw/zinc/85/05/04/1299850504.db2.gz BVQFKZLLWMCNRC-GFCCVEGCSA-N 0 0 335.297 2.887 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000853244240 1300064260 /nfs/dbraw/zinc/06/42/60/1300064260.db2.gz IMVRHKQURQRUMJ-MSOLQXFVSA-N 0 0 325.412 2.730 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1 ZINC000853456092 1300121024 /nfs/dbraw/zinc/12/10/24/1300121024.db2.gz DYLTVMJLSMROAX-HWWDLCQESA-N 0 0 333.476 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cc1 ZINC000853456090 1300121113 /nfs/dbraw/zinc/12/11/13/1300121113.db2.gz DYLTVMJLSMROAX-HUUCEWRRSA-N 0 0 333.476 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1 ZINC000853456089 1300121154 /nfs/dbraw/zinc/12/11/54/1300121154.db2.gz DYLTVMJLSMROAX-GJZGRUSLSA-N 0 0 333.476 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000853456214 1300121470 /nfs/dbraw/zinc/12/14/70/1300121470.db2.gz HBXLVDFRUXZYPA-IRXDYDNUSA-N 0 0 331.460 2.636 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000779982236 1300134653 /nfs/dbraw/zinc/13/46/53/1300134653.db2.gz UXXFWRSZNGQRGF-MJEQTWJJSA-N 0 0 334.379 2.760 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000853565863 1300170771 /nfs/dbraw/zinc/17/07/71/1300170771.db2.gz BRJACSDLWPMCMB-SJLPKXTDSA-N 0 0 345.370 2.531 10 10 EFCERN CC(C)(C)c1nnc2n1CCN(Cc1cc3c(cc1O)CCC3)C2 ZINC000853615296 1300195490 /nfs/dbraw/zinc/19/54/90/1300195490.db2.gz DNSJOODWXWAGRL-UHFFFAOYSA-N 0 0 326.444 2.786 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2ccc(F)nc2C)c2ccccc21 ZINC000780004084 1300198800 /nfs/dbraw/zinc/19/88/00/1300198800.db2.gz COCGESZODXPNNF-XNTDXEJSSA-N 0 0 340.354 2.979 10 10 EFCERN CN(C)c1ccc(OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000853693720 1300233544 /nfs/dbraw/zinc/23/35/44/1300233544.db2.gz SYKBHVMGJYVEFP-MRXNPFEDSA-N 0 0 336.432 2.767 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC(CCOC)C2)cc1F ZINC000853706782 1300238798 /nfs/dbraw/zinc/23/87/98/1300238798.db2.gz QCXXXXPERRTUFK-UHFFFAOYSA-N 0 0 337.439 2.850 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000853749367 1300257219 /nfs/dbraw/zinc/25/72/19/1300257219.db2.gz QKFUBIUVBQMGHC-KXBFYZLASA-N 0 0 341.455 2.982 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nccc(N4CCCC4)n3)C2)cc1 ZINC000853758889 1300261722 /nfs/dbraw/zinc/26/17/22/1300261722.db2.gz MDIDNVBUVMONTJ-OAHLLOKOSA-N 0 0 339.443 2.776 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000853759244 1300262103 /nfs/dbraw/zinc/26/21/03/1300262103.db2.gz QBKWHSXCRPXITP-HNNXBMFYSA-N 0 0 339.443 2.776 10 10 EFCERN CCc1nn(C)c(N[C@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-] ZINC000853759595 1300262352 /nfs/dbraw/zinc/26/23/52/1300262352.db2.gz XLAPGLNQSAXNKS-LBPRGKRZSA-N 0 0 345.403 2.590 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccncc3Br)C2)cc1 ZINC000853758929 1300262587 /nfs/dbraw/zinc/26/25/87/1300262587.db2.gz NHBICAXUCIGBDG-LBPRGKRZSA-N 0 0 348.244 2.965 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nccnc3OC(F)F)C2)cc1 ZINC000853761966 1300265493 /nfs/dbraw/zinc/26/54/93/1300265493.db2.gz XDVAKVYKMZOSAG-LLVKDONJSA-N 0 0 336.342 2.777 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000853803296 1300283445 /nfs/dbraw/zinc/28/34/45/1300283445.db2.gz CQIJOWOUEHHCLC-ICGPHACGSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(C)n3)C2)cc1 ZINC000853818623 1300292426 /nfs/dbraw/zinc/29/24/26/1300292426.db2.gz XLVJKNZGGDDVNK-CQSZACIVSA-N 0 0 326.400 2.799 10 10 EFCERN Cc1ccncc1CCNC(=O)NCCCSc1nccs1 ZINC000853856199 1300310920 /nfs/dbraw/zinc/31/09/20/1300310920.db2.gz SXJLNEFBVVEPCM-UHFFFAOYSA-N 0 0 336.486 2.871 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853872228 1300323266 /nfs/dbraw/zinc/32/32/66/1300323266.db2.gz OPYGQHPJZJESGN-XHSUHYBKSA-N 0 0 334.372 2.785 10 10 EFCERN CCOCC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853933376 1300349106 /nfs/dbraw/zinc/34/91/06/1300349106.db2.gz BXTPNXPULSXJJU-UHFFFAOYSA-N 0 0 329.396 2.785 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC(c3ccon3)CC2)cc1OC ZINC000853943788 1300356039 /nfs/dbraw/zinc/35/60/39/1300356039.db2.gz YMQGSXZNTFRAGU-UHFFFAOYSA-N 0 0 333.344 2.984 10 10 EFCERN OC1CCN(c2ccc(CNc3ccnc4cccnc43)cc2)CC1 ZINC000853955403 1300361861 /nfs/dbraw/zinc/36/18/61/1300361861.db2.gz NKAMRAXEPFBCNM-UHFFFAOYSA-N 0 0 334.423 2.625 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnn(C(C)C)c3)C2)cc1 ZINC000854227957 1300479246 /nfs/dbraw/zinc/47/92/46/1300479246.db2.gz XKJSERSBUJOLLH-CQSZACIVSA-N 0 0 343.431 2.873 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000854289023 1300503695 /nfs/dbraw/zinc/50/36/95/1300503695.db2.gz HHRIUQAQDOFUGR-UHFFFAOYSA-N 0 0 340.305 2.543 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(CC(C)(C)C)OC)C2)cc1 ZINC000854298076 1300505366 /nfs/dbraw/zinc/50/53/66/1300505366.db2.gz VMHLOTVKAQTCOF-CQSZACIVSA-N 0 0 335.448 2.893 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)CCOC(C)(C)C)C2)cc1 ZINC000854300614 1300505682 /nfs/dbraw/zinc/50/56/82/1300505682.db2.gz WVNOWGBZXUSWQE-OAHLLOKOSA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000854303179 1300506604 /nfs/dbraw/zinc/50/66/04/1300506604.db2.gz SYGDKYUOAPIEFC-OWCLPIDISA-N 0 0 331.460 2.961 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3ccccn3)C2)cc1 ZINC000854301225 1300506666 /nfs/dbraw/zinc/50/66/66/1300506666.db2.gz LILQLRPHHQDUFS-MRXNPFEDSA-N 0 0 340.427 2.511 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cccc(Cn3ccnn3)c2)cc1 ZINC000854324836 1300520706 /nfs/dbraw/zinc/52/07/06/1300520706.db2.gz QMWPBVBDNDSKTQ-UHFFFAOYSA-N 0 0 349.438 2.665 10 10 EFCERN CCOC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000854441927 1300568686 /nfs/dbraw/zinc/56/86/86/1300568686.db2.gz AIASCEOOIOKMLQ-UHFFFAOYSA-N 0 0 328.206 2.730 10 10 EFCERN Cc1cc(CC(=O)N2C[C@H](C)C[C@H](O)C2)c(C)n1-c1ccccc1 ZINC000854895296 1300725911 /nfs/dbraw/zinc/72/59/11/1300725911.db2.gz REORUTPTZWUXOQ-KUHUBIRLSA-N 0 0 326.440 2.866 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000854947628 1300745721 /nfs/dbraw/zinc/74/57/21/1300745721.db2.gz BZEYCNJGFDXOJG-GOEBONIOSA-N 0 0 340.471 2.636 10 10 EFCERN COc1cc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000854949925 1300747323 /nfs/dbraw/zinc/74/73/23/1300747323.db2.gz ZNTHSHYHIBYRKF-HNNXBMFYSA-N 0 0 341.455 2.755 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)n1cccn1 ZINC000854948959 1300747703 /nfs/dbraw/zinc/74/77/03/1300747703.db2.gz QPQSISLSRAADNR-OAHLLOKOSA-N 0 0 328.460 2.740 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000855020439 1300766657 /nfs/dbraw/zinc/76/66/57/1300766657.db2.gz PKKKXYPLGVYVMB-QAPCUYQASA-N 0 0 334.460 2.795 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)n2ccc(C)n2)cc1 ZINC000855020887 1300767002 /nfs/dbraw/zinc/76/70/02/1300767002.db2.gz WYCUNASRBRIXBZ-INIZCTEOSA-N 0 0 344.459 2.746 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4cccnc43)C2)cc1 ZINC000855223053 1300844719 /nfs/dbraw/zinc/84/47/19/1300844719.db2.gz BLWUNNHHFSMKKT-CRAIPNDOSA-N 0 0 337.423 2.515 10 10 EFCERN CCOC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855223320 1300844820 /nfs/dbraw/zinc/84/48/20/1300844820.db2.gz FLNVUGJZGVIPFB-OAHLLOKOSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3coc(C4CCC4)n3)C2)cc1 ZINC000855222992 1300845974 /nfs/dbraw/zinc/84/59/74/1300845974.db2.gz AKSXEOQSVMGFNT-CQSZACIVSA-N 0 0 341.411 2.959 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](F)Cc3ccccc3)C2)cc1 ZINC000855223649 1300846346 /nfs/dbraw/zinc/84/63/46/1300846346.db2.gz BXFRZDBTWMSQIY-VQIMIIECSA-N 0 0 342.414 2.971 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCCC(=O)C3)C2)cc1 ZINC000855224021 1300846367 /nfs/dbraw/zinc/84/63/67/1300846367.db2.gz DOMTVFFPWXCSGX-JKSUJKDBSA-N 0 0 344.455 2.930 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000855224375 1300846507 /nfs/dbraw/zinc/84/65/07/1300846507.db2.gz FSRXZDPIAZOJBM-ZLKJLUDKSA-N 0 0 328.334 2.589 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3[nH]ccc3C3CC3)C2)cc1 ZINC000855227261 1300848349 /nfs/dbraw/zinc/84/83/49/1300848349.db2.gz WUQYERKPSFIWME-AWEZNQCLSA-N 0 0 325.412 2.909 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3nc(C)cs3)C2)cc1 ZINC000855227666 1300848765 /nfs/dbraw/zinc/84/87/65/1300848765.db2.gz ZYMURKCTLXYDDB-UONOGXRCSA-N 0 0 345.468 2.959 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)cc1 ZINC000855226969 1300848778 /nfs/dbraw/zinc/84/87/78/1300848778.db2.gz RRDKIRPESGQXNS-MGPUTAFESA-N 0 0 346.471 2.721 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3conc3C3CC3)C2)cc1 ZINC000855226634 1300848887 /nfs/dbraw/zinc/84/88/87/1300848887.db2.gz RNEJEBQJHJKCRF-CYBMUJFWSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccsc3)C2)cc1 ZINC000855226951 1300848991 /nfs/dbraw/zinc/84/89/91/1300848991.db2.gz VCKSXPZAVKEGTD-CYBMUJFWSA-N 0 0 332.425 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccc(F)cc43)C2)cc1 ZINC000855227429 1300849410 /nfs/dbraw/zinc/84/94/10/1300849410.db2.gz YOXFOIGPAVFUIE-HNAYVOBHSA-N 0 0 340.398 2.869 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3conc3C3CC3)C2)cc1 ZINC000855226636 1300849493 /nfs/dbraw/zinc/84/94/93/1300849493.db2.gz RNEJEBQJHJKCRF-ZDUSSCGKSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3c(C)noc3C)C2)cc1 ZINC000855229652 1300850629 /nfs/dbraw/zinc/85/06/29/1300850629.db2.gz LDXNQLXZDVSHGR-DOMZBBRYSA-N 0 0 343.427 2.799 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3c(C)noc3C)C2)cc1 ZINC000855230075 1300850922 /nfs/dbraw/zinc/85/09/22/1300850922.db2.gz SDNLRUSPXHKWLE-OAHLLOKOSA-N 0 0 343.427 2.628 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC000855232428 1300852219 /nfs/dbraw/zinc/85/22/19/1300852219.db2.gz TZIIFXPPIROGRR-MAUKXSAKSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000855232199 1300852279 /nfs/dbraw/zinc/85/22/79/1300852279.db2.gz QSRWWILWMVBKNA-SWLSCSKDSA-N 0 0 342.443 2.534 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000855231420 1300852383 /nfs/dbraw/zinc/85/23/83/1300852383.db2.gz MCNBXUCEYVYISW-CQSZACIVSA-N 0 0 344.436 2.968 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000855231676 1300852394 /nfs/dbraw/zinc/85/23/94/1300852394.db2.gz KRCSTZGKYYSYMP-AWEZNQCLSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)c3O)C2)cc1 ZINC000855232586 1300853121 /nfs/dbraw/zinc/85/31/21/1300853121.db2.gz SGAWLNLVPSVYPH-AWEZNQCLSA-N 0 0 326.396 2.718 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3ccccc3)C2)cc1 ZINC000855234693 1300854625 /nfs/dbraw/zinc/85/46/25/1300854625.db2.gz KCCPMAGMUJZRGG-HOTGVXAUSA-N 0 0 340.423 2.858 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000855235160 1300854669 /nfs/dbraw/zinc/85/46/69/1300854669.db2.gz ZRTSLDLROAWCHX-CQSZACIVSA-N 0 0 341.367 2.612 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000855237598 1300854703 /nfs/dbraw/zinc/85/47/03/1300854703.db2.gz JCJJFRJEFAKSOQ-QGZVFWFLSA-N 0 0 349.438 2.848 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nc4ccccc43)C2)cc1 ZINC000855234940 1300854796 /nfs/dbraw/zinc/85/47/96/1300854796.db2.gz RJBIYGFKFWQSOR-CYBMUJFWSA-N 0 0 336.395 2.580 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccn1 ZINC000855325237 1300914559 /nfs/dbraw/zinc/91/45/59/1300914559.db2.gz IHUAQUNAAVKVEQ-IUODEOHRSA-N 0 0 336.399 2.516 10 10 EFCERN CO[C@@]1(CO)CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000855442469 1300958239 /nfs/dbraw/zinc/95/82/39/1300958239.db2.gz UTABXZAENTYPHB-SFHVURJKSA-N 0 0 348.468 2.769 10 10 EFCERN Cc1cc(CC(=O)N[C@H](C)C2(CO)CC2)c(C)n1-c1ccccc1 ZINC000855481065 1300972362 /nfs/dbraw/zinc/97/23/62/1300972362.db2.gz LEKPKVVGDZDLNM-MRXNPFEDSA-N 0 0 326.440 2.914 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)c(C)n1-c1ccccn1 ZINC000855926891 1301176993 /nfs/dbraw/zinc/17/69/93/1301176993.db2.gz YEPJWUTZTSFKNE-HZPDHXFCSA-N 0 0 325.412 2.522 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCCOC2)c1 ZINC000859253528 1301410343 /nfs/dbraw/zinc/41/03/43/1301410343.db2.gz YAIISOXHBVJYSJ-KRWDZBQOSA-N 0 0 326.396 2.815 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)[C@H]1CCOC1 ZINC000859263567 1301415090 /nfs/dbraw/zinc/41/50/90/1301415090.db2.gz JLRLLAILZCGZNY-INIZCTEOSA-N 0 0 326.396 2.768 10 10 EFCERN Cc1cc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000859362828 1301444893 /nfs/dbraw/zinc/44/48/93/1301444893.db2.gz MTKBUCABVVVJQT-QAPCUYQASA-N 0 0 348.468 2.691 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@]1(C)Br ZINC000859420896 1301458692 /nfs/dbraw/zinc/45/86/92/1301458692.db2.gz CSRGFWUOQFUUCL-ZFWWWQNUSA-N 0 0 325.250 2.851 10 10 EFCERN O=C(COCC(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000860048405 1301684999 /nfs/dbraw/zinc/68/49/99/1301684999.db2.gz UQQKSZJLIPACRC-UHFFFAOYSA-N 0 0 325.311 2.796 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860234255 1301749712 /nfs/dbraw/zinc/74/97/12/1301749712.db2.gz DCPGJVDGIHUYQQ-FHLIZLRMSA-N 0 0 343.810 2.996 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Nc2ccn(C3CCOCC3)n2)c1 ZINC000861213496 1302042775 /nfs/dbraw/zinc/04/27/75/1302042775.db2.gz PGZICIANXOJBNX-UHFFFAOYSA-N 0 0 330.388 2.570 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc(OC)c(OC)c2)c1 ZINC000861417489 1302128293 /nfs/dbraw/zinc/12/82/93/1302128293.db2.gz ZXYFGMIHHLWYOW-JTQLQIEISA-N 0 0 347.371 2.696 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)cnc2F)c1 ZINC000861590293 1302161772 /nfs/dbraw/zinc/16/17/72/1302161772.db2.gz SLABDKQJDFAETR-VIFPVBQESA-N 0 0 335.335 2.826 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C2)cc1 ZINC000862159726 1302301282 /nfs/dbraw/zinc/30/12/82/1302301282.db2.gz WBYSEGFANLTDBH-NEPJUHHUSA-N 0 0 330.350 2.979 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)cc1 ZINC000862158424 1302301416 /nfs/dbraw/zinc/30/14/16/1302301416.db2.gz HCMORNZEMKNTST-JWOSDPRPSA-N 0 0 348.446 2.976 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1ccc(N(C)C)cc1 ZINC000862473927 1302393088 /nfs/dbraw/zinc/39/30/88/1302393088.db2.gz CRHYQMMFECQXBM-LJQANCHMSA-N 0 0 342.439 2.635 10 10 EFCERN Cc1cc(C(=O)N[C@]23C[C@H]2COC3(C)C)c(C)n1-c1ccccn1 ZINC000862684015 1302439084 /nfs/dbraw/zinc/43/90/84/1302439084.db2.gz CUUWNTUKVMYQCY-IFXJQAMLSA-N 0 0 325.412 2.786 10 10 EFCERN Cc1cc(CNC(=O)[C@@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000863163874 1302544683 /nfs/dbraw/zinc/54/46/83/1302544683.db2.gz RVZVQBGJXIWOCQ-INIZCTEOSA-N 0 0 339.439 2.627 10 10 EFCERN CCOC(=O)c1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)n1 ZINC000863180317 1302549674 /nfs/dbraw/zinc/54/96/74/1302549674.db2.gz KPQBUTCYPFICES-KAMYIIQDSA-N 0 0 345.424 2.715 10 10 EFCERN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](CCF)C2)c1O ZINC000863317735 1302585728 /nfs/dbraw/zinc/58/57/28/1302585728.db2.gz PBAQDVSQELIBFN-CQSZACIVSA-N 0 0 347.386 2.892 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1C ZINC000863765149 1302710275 /nfs/dbraw/zinc/71/02/75/1302710275.db2.gz BZBPIQCTFZCRHD-NVXWUHKLSA-N 0 0 338.407 2.648 10 10 EFCERN CCOC1CC2(C[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000864470854 1302944033 /nfs/dbraw/zinc/94/40/33/1302944033.db2.gz ROHLOMKCJPEUHZ-QPIRBTGLSA-N 0 0 344.455 2.549 10 10 EFCERN CCOCCCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000864471184 1302944040 /nfs/dbraw/zinc/94/40/40/1302944040.db2.gz YPCZIAPGHDSEED-UHFFFAOYSA-N 0 0 334.460 2.941 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000864470783 1302944370 /nfs/dbraw/zinc/94/43/70/1302944370.db2.gz PWHAKSLFBQFVMZ-HNNXBMFYSA-N 0 0 325.412 2.543 10 10 EFCERN C[C@@H]1C[C@]1(C(=O)NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000864574046 1302983495 /nfs/dbraw/zinc/98/34/95/1302983495.db2.gz XERYXOODILTMQS-YJYMSZOUSA-N 0 0 332.444 2.737 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)O1 ZINC000864919224 1303082524 /nfs/dbraw/zinc/08/25/24/1303082524.db2.gz RNGQJNFIRHGUSX-CKEIUWERSA-N 0 0 334.485 2.670 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@]12CCC[C@H]1OCC2 ZINC000864918062 1303082583 /nfs/dbraw/zinc/08/25/83/1303082583.db2.gz DLQZZMOZLNSKDX-MJGOQNOKSA-N 0 0 346.496 2.815 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000864919226 1303082755 /nfs/dbraw/zinc/08/27/55/1303082755.db2.gz RNGQJNFIRHGUSX-JKIFEVAISA-N 0 0 334.485 2.670 10 10 EFCERN CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000864950577 1303097473 /nfs/dbraw/zinc/09/74/73/1303097473.db2.gz WZVMIZFDCHCQIH-PKOBYXMFSA-N 0 0 348.487 2.931 10 10 EFCERN CCOCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000864984505 1303110993 /nfs/dbraw/zinc/11/09/93/1303110993.db2.gz UWHFJXOWXDBTMP-UHFFFAOYSA-N 0 0 334.460 2.736 10 10 EFCERN CCO[C@H]1COCC[C@@H]1CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027138 1303126206 /nfs/dbraw/zinc/12/62/06/1303126206.db2.gz IEOYELKSIRSGOH-MJGOQNOKSA-N 0 0 348.487 2.933 10 10 EFCERN Cn1cnc2cncc(C(=O)NCc3ccc(N4CCCCC4)cc3)c21 ZINC000865032090 1303128636 /nfs/dbraw/zinc/12/86/36/1303128636.db2.gz RRDXALBRBZZFSN-UHFFFAOYSA-N 0 0 349.438 2.889 10 10 EFCERN Oc1c(Br)cccc1CNc1ncc2c(n1)CCOC2 ZINC000865295040 1303210464 /nfs/dbraw/zinc/21/04/64/1303210464.db2.gz WZDLQYYNKIQTFS-UHFFFAOYSA-N 0 0 336.189 2.630 10 10 EFCERN COc1ccc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)cc1 ZINC000865402971 1303238309 /nfs/dbraw/zinc/23/83/09/1303238309.db2.gz KIAUMIVRMNEMAJ-UHFFFAOYSA-N 0 0 349.438 2.942 10 10 EFCERN CC(=O)c1cccc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000865452874 1303264063 /nfs/dbraw/zinc/26/40/63/1303264063.db2.gz RBAMCIVDLLGLDE-UHFFFAOYSA-N 0 0 329.375 2.872 10 10 EFCERN Cn1nccc1-c1ccnc(NCCCSc2nccs2)n1 ZINC000865536526 1303300215 /nfs/dbraw/zinc/30/02/15/1303300215.db2.gz BHLHZGZYRGCGPB-UHFFFAOYSA-N 0 0 332.458 2.928 10 10 EFCERN CCOC(=O)CCc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC000865646815 1303349464 /nfs/dbraw/zinc/34/94/64/1303349464.db2.gz FSZHUJJCJIRPQK-UHFFFAOYSA-N 0 0 329.400 2.623 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000865686836 1303365818 /nfs/dbraw/zinc/36/58/18/1303365818.db2.gz TVFUWGMJLAMQIY-ARJAWSKDSA-N 0 0 341.459 2.568 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)C(F)(F)F ZINC000748411778 1313912559 /nfs/dbraw/zinc/91/25/59/1313912559.db2.gz FWPFVFZJBRZSKZ-NSHDSACASA-N 0 0 332.347 2.809 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000865931814 1303459958 /nfs/dbraw/zinc/45/99/58/1303459958.db2.gz JPXUPLFZFZUUDF-LBPRGKRZSA-N 0 0 332.335 2.828 10 10 EFCERN CC(C)(C)S(=O)(=O)c1ccc(N2Cc3cccc(O)c3C2)cn1 ZINC000866117241 1303533056 /nfs/dbraw/zinc/53/30/56/1303533056.db2.gz IZDMWAWOMXRMFJ-UHFFFAOYSA-N 0 0 332.425 2.880 10 10 EFCERN CCOC(=O)CCc1cc(N2Cc3cccc(O)c3C2)nc(C)n1 ZINC000866117658 1303533086 /nfs/dbraw/zinc/53/30/86/1303533086.db2.gz QSFXITDAXHDMCX-UHFFFAOYSA-N 0 0 327.384 2.507 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000866129026 1303537023 /nfs/dbraw/zinc/53/70/23/1303537023.db2.gz BWPUHTVYARGWDN-FUHWJXTLSA-N 0 0 331.460 2.757 10 10 EFCERN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866442485 1303641775 /nfs/dbraw/zinc/64/17/75/1303641775.db2.gz MWTLDOASQRAKMJ-QUBYGPBYSA-N 0 0 342.155 2.961 10 10 EFCERN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1[O-] ZINC000866531344 1303674937 /nfs/dbraw/zinc/67/49/37/1303674937.db2.gz GWZYXRDDINGTED-DGCLKSJQSA-N 0 0 327.371 2.907 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC000866598683 1303705135 /nfs/dbraw/zinc/70/51/35/1303705135.db2.gz MEUKFFDFINATEK-HNNXBMFYSA-N 0 0 343.427 2.602 10 10 EFCERN COc1cccc(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c1O ZINC000866764082 1303783502 /nfs/dbraw/zinc/78/35/02/1303783502.db2.gz QKRBYZUTVBJHFP-NNQSOWQGSA-N 0 0 331.412 2.803 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(F)(F)F)ncn2)c1 ZINC000866765418 1303783997 /nfs/dbraw/zinc/78/39/97/1303783997.db2.gz VDQIKUWEKMRYDT-MRVPVSSYSA-N 0 0 341.289 2.701 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC000866767023 1303784649 /nfs/dbraw/zinc/78/46/49/1303784649.db2.gz HLXYEYYQYXGJBI-MJGOQNOKSA-N 0 0 341.407 2.807 10 10 EFCERN O=C(/C=C\COC1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000866771008 1303786305 /nfs/dbraw/zinc/78/63/05/1303786305.db2.gz KPDNOOACSQRTIA-UTCJRWHESA-N 0 0 345.439 2.639 10 10 EFCERN CN(C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1 ZINC000867486692 1303830928 /nfs/dbraw/zinc/83/09/28/1303830928.db2.gz VXSLNIFSWKCWPD-MYSGNRETSA-N 0 0 348.447 2.586 10 10 EFCERN CN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1 ZINC000867486691 1303831268 /nfs/dbraw/zinc/83/12/68/1303831268.db2.gz VXSLNIFSWKCWPD-CKXPSTMWSA-N 0 0 348.447 2.586 10 10 EFCERN C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000867502951 1303836525 /nfs/dbraw/zinc/83/65/25/1303836525.db2.gz GADCXYWDOSEKTJ-BLLLJJGKSA-N 0 0 328.416 2.818 10 10 EFCERN CCCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867689833 1303911750 /nfs/dbraw/zinc/91/17/50/1303911750.db2.gz PCKHVFXSRAQYOM-UHFFFAOYSA-N 0 0 333.409 2.886 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2O)[C@@H](C)O1 ZINC000867830528 1303975831 /nfs/dbraw/zinc/97/58/31/1303975831.db2.gz BHVYIKVJGOKXRA-FXPVBKGRSA-N 0 0 328.206 2.584 10 10 EFCERN C[C@@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccccc1O ZINC000867835301 1303978155 /nfs/dbraw/zinc/97/81/55/1303978155.db2.gz WHFGPSWXAMOQOT-NWDGAFQWSA-N 0 0 335.429 2.526 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(N)ccc3Cl)C2)cc1 ZINC000867983486 1304058168 /nfs/dbraw/zinc/05/81/68/1304058168.db2.gz FNWYFWVXZNFHGK-CYBMUJFWSA-N 0 0 345.830 2.940 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000748503709 1313957913 /nfs/dbraw/zinc/95/79/13/1313957913.db2.gz GNLMDVYIBBGPBK-UHFFFAOYSA-N 0 0 337.423 2.541 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000868113204 1304133129 /nfs/dbraw/zinc/13/31/29/1304133129.db2.gz VRPXYAVJDJVSLC-BSWVEEBUSA-N 0 0 341.455 2.509 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868113210 1304133734 /nfs/dbraw/zinc/13/37/34/1304133734.db2.gz VRPXYAVJDJVSLC-WAARBJQMSA-N 0 0 341.455 2.509 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCC12CC2 ZINC000868129833 1304143376 /nfs/dbraw/zinc/14/33/76/1304143376.db2.gz GVOUHBDSLAUYGV-KRWDZBQOSA-N 0 0 329.444 2.655 10 10 EFCERN C[C@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000868213389 1304191657 /nfs/dbraw/zinc/19/16/57/1304191657.db2.gz KJGJYKXRXJIKOF-LBPRGKRZSA-N 0 0 337.420 2.619 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@]12CCC[C@H]1OCC2 ZINC000868307337 1304234519 /nfs/dbraw/zinc/23/45/19/1304234519.db2.gz YNKYJLZSKXMRHD-HIFRSBDPSA-N 0 0 340.217 2.730 10 10 EFCERN COC(=O)C1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCC1 ZINC000868496477 1304325547 /nfs/dbraw/zinc/32/55/47/1304325547.db2.gz IDCCFOBGLRNXFZ-ZDUSSCGKSA-N 0 0 334.416 2.876 10 10 EFCERN Cc1ccc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)c(O)c1O ZINC000868499973 1304326408 /nfs/dbraw/zinc/32/64/08/1304326408.db2.gz OJYHHIJQVLQPCB-INIZCTEOSA-N 0 0 325.364 2.953 10 10 EFCERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868513577 1304334182 /nfs/dbraw/zinc/33/41/82/1304334182.db2.gz HGJKCPCUSIUZCB-IHRRRGAJSA-N 0 0 349.431 2.619 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000868514419 1304334250 /nfs/dbraw/zinc/33/42/50/1304334250.db2.gz BZXOBWGJMYCHSA-XJKSGUPXSA-N 0 0 327.432 2.844 10 10 EFCERN CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccnn1C ZINC000868530716 1304342237 /nfs/dbraw/zinc/34/22/37/1304342237.db2.gz PJDZNSLAUAVCDJ-DZGCQCFKSA-N 0 0 330.432 2.926 10 10 EFCERN C[C@H](NC(=O)NCc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000868705028 1304431558 /nfs/dbraw/zinc/43/15/58/1304431558.db2.gz OPCIVPGGBBTGMK-VIFPVBQESA-N 0 0 340.305 2.761 10 10 EFCERN COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868757012 1304458102 /nfs/dbraw/zinc/45/81/02/1304458102.db2.gz NFLAWHWNZXHXEP-ZDUSSCGKSA-N 0 0 342.395 2.668 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCC[C@@H]3F)C2)cc1 ZINC000868761447 1304460210 /nfs/dbraw/zinc/46/02/10/1304460210.db2.gz CNNYXAYUDCVXDQ-XOKHGSTOSA-N 0 0 335.423 2.854 10 10 EFCERN C[C@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1O ZINC000868775055 1304468487 /nfs/dbraw/zinc/46/84/87/1304468487.db2.gz VGPCARXZWMAOTN-ZBINZKHDSA-N 0 0 326.343 2.567 10 10 EFCERN CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000868891049 1304521690 /nfs/dbraw/zinc/52/16/90/1304521690.db2.gz ZSTOXAXUZRTBQJ-IEZWGBDMSA-N 0 0 348.487 2.550 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN(CC(F)F)C1 ZINC000868936377 1304540988 /nfs/dbraw/zinc/54/09/88/1304540988.db2.gz AXIGFADSTPFCNP-AWEZNQCLSA-N 0 0 349.381 2.534 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000868966266 1304552452 /nfs/dbraw/zinc/55/24/52/1304552452.db2.gz MMXQSDDEQZODHV-LCGIIJARSA-N 0 0 331.412 2.576 10 10 EFCERN C[C@H](NC(=O)NC[C@@H]1CC(=O)c2ccccc2O1)c1ccccc1O ZINC000869089321 1304608416 /nfs/dbraw/zinc/60/84/16/1304608416.db2.gz IRCTUQWOHOMXIP-STQMWFEESA-N 0 0 340.379 2.786 10 10 EFCERN C[C@@H](NC(=O)NCCc1cn(C)c2ncccc12)c1ccccc1O ZINC000869125144 1304624430 /nfs/dbraw/zinc/62/44/30/1304624430.db2.gz RXBPJJGWANUGGZ-CYBMUJFWSA-N 0 0 338.411 2.882 10 10 EFCERN CCOC1CC2(C[C@H]2C(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000869142988 1304631166 /nfs/dbraw/zinc/63/11/66/1304631166.db2.gz SEFGEQXYIRVEDT-FDYSRKEFSA-N 0 0 346.471 2.795 10 10 EFCERN O=C(CCc1nnc(C(F)F)o1)NCc1cc(Cl)ccc1O ZINC000869146690 1304631970 /nfs/dbraw/zinc/63/19/70/1304631970.db2.gz KPTDIUGFBROLCT-UHFFFAOYSA-N 0 0 331.706 2.615 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]cnc3C(C)(C)C)C2)cc1 ZINC000869229531 1304670700 /nfs/dbraw/zinc/67/07/00/1304670700.db2.gz XWLUJQBQTUHHET-CYBMUJFWSA-N 0 0 342.443 2.725 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C=O)s3)C2)cc1 ZINC000869229550 1304670721 /nfs/dbraw/zinc/67/07/21/1304670721.db2.gz YFTVGKSJACFRTC-LBPRGKRZSA-N 0 0 330.409 2.578 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000869706908 1304924655 /nfs/dbraw/zinc/92/46/55/1304924655.db2.gz KAMNBTYFLPGBMN-OXQOHEQNSA-N 0 0 344.455 2.835 10 10 EFCERN C[NH+]1CCC(CNC(=O)C2=CC(=O)CS2)(c2ccccc2)CC1 ZINC000870187929 1305196556 /nfs/dbraw/zinc/19/65/56/1305196556.db2.gz JKRFTKOAEZLJBB-UHFFFAOYSA-N 0 0 330.453 2.847 10 10 EFCERN CSCCCNC(=S)NCc1cc(Br)ccc1O ZINC000795156349 1305768026 /nfs/dbraw/zinc/76/80/26/1305768026.db2.gz UCDSBRAUKBLZNL-UHFFFAOYSA-N 0 0 349.319 2.872 10 10 EFCERN O=C(c1cccnc1OCC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871198741 1305884115 /nfs/dbraw/zinc/88/41/15/1305884115.db2.gz OEKOXXCNHFSIBZ-UHFFFAOYSA-N 0 0 338.285 2.884 10 10 EFCERN O=C(CCCNC(=O)NC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871199439 1305885965 /nfs/dbraw/zinc/88/59/65/1305885965.db2.gz XLIFBWNRSNZESH-UHFFFAOYSA-N 0 0 345.443 2.647 10 10 EFCERN COC(=O)c1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202322 1305889959 /nfs/dbraw/zinc/88/99/59/1305889959.db2.gz DNAIXWRFEOLNAI-UHFFFAOYSA-N 0 0 325.364 2.654 10 10 EFCERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203267 1305890042 /nfs/dbraw/zinc/89/00/42/1305890042.db2.gz VRPGDYUFVXGHQR-UHFFFAOYSA-N 0 0 327.409 2.813 10 10 EFCERN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205477 1305890611 /nfs/dbraw/zinc/89/06/11/1305890611.db2.gz UEHMJGBMGNJRDU-HNNXBMFYSA-N 0 0 332.444 2.811 10 10 EFCERN CCc1n[nH]c(C(=O)N2Cc3cccc(O)c3C2)c1Br ZINC000871205104 1305890680 /nfs/dbraw/zinc/89/06/80/1305890680.db2.gz WMLASVMZCIHIOE-UHFFFAOYSA-N 0 0 336.189 2.596 10 10 EFCERN C/C=C\[C@@H](O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000900129901 1307695561 /nfs/dbraw/zinc/69/55/61/1307695561.db2.gz PCHZSKSIZPMCFE-WLPBJKJWSA-N 0 0 328.412 2.811 10 10 EFCERN C/C=C\[C@H](O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000900129900 1307695683 /nfs/dbraw/zinc/69/56/83/1307695683.db2.gz PCHZSKSIZPMCFE-SUZKBHRPSA-N 0 0 328.412 2.811 10 10 EFCERN O=C(COc1ccsc1)NCc1cccc(Br)c1O ZINC000800554838 1308116287 /nfs/dbraw/zinc/11/62/87/1308116287.db2.gz FMALUCRUZMEPIC-UHFFFAOYSA-N 0 0 342.214 2.911 10 10 EFCERN CCOC(=O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000900510248 1308235031 /nfs/dbraw/zinc/23/50/31/1308235031.db2.gz YOMYUEBDUJJAPK-UHFFFAOYSA-N 0 0 337.397 2.726 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC(C4CCOCC4)C3)ccc21 ZINC000800703141 1308271363 /nfs/dbraw/zinc/27/13/63/1308271363.db2.gz OUQDCDVXTZNEER-UHFFFAOYSA-N 0 0 343.471 2.637 10 10 EFCERN COC(=O)CCC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900682038 1308520176 /nfs/dbraw/zinc/52/01/76/1308520176.db2.gz OUEXEKCJXDHHHT-UHFFFAOYSA-N 0 0 337.397 2.774 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000800894663 1308632288 /nfs/dbraw/zinc/63/22/88/1308632288.db2.gz FRHXCTRMJCKZEB-UHFFFAOYSA-N 0 0 348.468 2.857 10 10 EFCERN COC[C@@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000800901087 1308645734 /nfs/dbraw/zinc/64/57/34/1308645734.db2.gz NFDYJKDFKJUDHE-MRXNPFEDSA-N 0 0 331.460 2.805 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCc1cc(C)no1 ZINC000801082979 1309054377 /nfs/dbraw/zinc/05/43/77/1309054377.db2.gz AEIHNTCHFRNDOC-UHFFFAOYSA-N 0 0 331.416 2.614 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)COCc2cc(C)no2)cc1F ZINC000801153355 1309252746 /nfs/dbraw/zinc/25/27/46/1309252746.db2.gz DISHKIHEPPYZGN-UHFFFAOYSA-N 0 0 349.406 2.801 10 10 EFCERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCC(CO)CC1 ZINC000901037512 1309256499 /nfs/dbraw/zinc/25/64/99/1309256499.db2.gz DAFMDVDNHYVQNZ-UHFFFAOYSA-N 0 0 335.425 2.936 10 10 EFCERN COC(=O)c1sccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000901436106 1310477487 /nfs/dbraw/zinc/47/74/87/1310477487.db2.gz MIXFSOOEDJHIFH-LUAWRHEFSA-N 0 0 336.438 2.991 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2cncn2C(C)C)c2ccccc21 ZINC000901486546 1310559028 /nfs/dbraw/zinc/55/90/28/1310559028.db2.gz LLXZUUUVOADOOE-SXGWCWSVSA-N 0 0 339.395 2.914 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@H]3CSC3(C)C)CC2)cc1 ZINC000801795671 1310927360 /nfs/dbraw/zinc/92/73/60/1310927360.db2.gz AENVRKFDEPLFOB-INIZCTEOSA-N 0 0 349.500 2.857 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc2cnccc12 ZINC000782886758 1311369317 /nfs/dbraw/zinc/36/93/17/1311369317.db2.gz HBVBKTDSKKMXOM-XNTDXEJSSA-N 0 0 325.393 2.537 10 10 EFCERN Cn1ccnc1[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC001158733221 1311376185 /nfs/dbraw/zinc/37/61/85/1311376185.db2.gz XUBNCHURZNUCBH-AWEZNQCLSA-N 0 0 349.362 2.985 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](OC(F)F)C1 ZINC000802173141 1311422776 /nfs/dbraw/zinc/42/27/76/1311422776.db2.gz RFRJALHVPLZTOQ-AWEZNQCLSA-N 0 0 327.375 2.584 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cc(C(F)(F)F)ncn1 ZINC001159041245 1311439788 /nfs/dbraw/zinc/43/97/88/1311439788.db2.gz FVZUWQLYFMWQHO-UHFFFAOYSA-N 0 0 331.681 2.784 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC001224930291 1311450891 /nfs/dbraw/zinc/45/08/91/1311450891.db2.gz YRIJABDDQJFWEA-DOPJRALCSA-N 0 0 345.487 2.928 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000802312205 1311552520 /nfs/dbraw/zinc/55/25/20/1311552520.db2.gz FFHIYPBOCBCZJG-PRXAMGSTSA-N 0 0 341.398 2.889 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000802312204 1311552666 /nfs/dbraw/zinc/55/26/66/1311552666.db2.gz FFHIYPBOCBCZJG-NVGCLXPQSA-N 0 0 341.398 2.889 10 10 EFCERN Cn1cc(C=O)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160562326 1311737281 /nfs/dbraw/zinc/73/72/81/1311737281.db2.gz BVSADNLGCJODRQ-UHFFFAOYSA-N 0 0 345.362 2.800 10 10 EFCERN C[C@@H](CO)N(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000802628969 1311857485 /nfs/dbraw/zinc/85/74/85/1311857485.db2.gz WRMWHWRFDQCZLH-ZDUSSCGKSA-N 0 0 340.383 2.880 10 10 EFCERN Cc1cc(Br)cc(CN2CCO[C@@H](C(F)F)C2)c1O ZINC000802653485 1311887329 /nfs/dbraw/zinc/88/73/29/1311887329.db2.gz MZHIXGKPBLVNKZ-LLVKDONJSA-N 0 0 336.176 2.929 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000802659908 1311894869 /nfs/dbraw/zinc/89/48/69/1311894869.db2.gz PGUHHKIOLMJBLN-BZNIZROVSA-N 0 0 343.826 2.842 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@H](C)Cn2ncc3ccccc32)c1 ZINC000802783711 1312018831 /nfs/dbraw/zinc/01/88/31/1312018831.db2.gz BDMCEESGUKMPSB-CYBMUJFWSA-N 0 0 339.395 2.703 10 10 EFCERN O=C(Cc1csc(-c2ccoc2)n1)NCc1ccc(O)cc1O ZINC001162278271 1312079247 /nfs/dbraw/zinc/07/92/47/1312079247.db2.gz GERQGKDQEYTMFS-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001162278784 1312079330 /nfs/dbraw/zinc/07/93/30/1312079330.db2.gz MPWGGSCGAQYRAC-NWDGAFQWSA-N 0 0 337.297 2.935 10 10 EFCERN O=C(Cc1coc(-c2cccs2)n1)NCc1ccc(O)cc1O ZINC001162279164 1312079486 /nfs/dbraw/zinc/07/94/86/1312079486.db2.gz TWUSIJUGOMFSIQ-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN O=C(CCn1cnc2ccccc21)NCc1ccc2cccnc2c1O ZINC001162607928 1312134346 /nfs/dbraw/zinc/13/43/46/1312134346.db2.gz ZVOLLLKTBGNGPR-UHFFFAOYSA-N 0 0 346.390 2.997 10 10 EFCERN Cc1nc(CC(=O)NCc2ccc3cccnc3c2O)c(C)s1 ZINC001162612052 1312135957 /nfs/dbraw/zinc/13/59/57/1312135957.db2.gz BBKKSHKGGLTHHC-UHFFFAOYSA-N 0 0 327.409 2.873 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000902874335 1312170834 /nfs/dbraw/zinc/17/08/34/1312170834.db2.gz DWVUTBNQLOJMLT-KBPBESRZSA-N 0 0 345.365 2.662 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000902911667 1312203786 /nfs/dbraw/zinc/20/37/86/1312203786.db2.gz AGVGGNXIKLHFPI-INIZCTEOSA-N 0 0 341.459 2.575 10 10 EFCERN COC(=O)c1cnc(Sc2ncc(C(=O)OC)cc2Cl)s1 ZINC001163383503 1312300793 /nfs/dbraw/zinc/30/07/93/1312300793.db2.gz HIEIDEGIWHFTHE-UHFFFAOYSA-N 0 0 344.801 2.916 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000803151853 1312307324 /nfs/dbraw/zinc/30/73/24/1312307324.db2.gz JUSPMFQOEATKFT-UHFFFAOYSA-N 0 0 349.793 2.845 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2c[nH]nc2Br)cc1 ZINC001163454644 1312316030 /nfs/dbraw/zinc/31/60/30/1312316030.db2.gz JXRIYBHGMRWTTF-UHFFFAOYSA-N 0 0 337.137 2.587 10 10 EFCERN CC(C)c1nc([C@@H](CO)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC001163857004 1312396524 /nfs/dbraw/zinc/39/65/24/1312396524.db2.gz NQUZMEXJCDTYEO-FVOPLDGLSA-N 0 0 348.424 2.541 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC001164110853 1312449482 /nfs/dbraw/zinc/44/94/82/1312449482.db2.gz SBOBGPSOSDPUDW-CABCVRRESA-N 0 0 330.388 2.927 10 10 EFCERN C[C@@H](O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1F ZINC001164553644 1312538201 /nfs/dbraw/zinc/53/82/01/1312538201.db2.gz DVAZOLFRHZRDPI-MEBBXXQBSA-N 0 0 344.346 2.840 10 10 EFCERN C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000903347427 1312586452 /nfs/dbraw/zinc/58/64/52/1312586452.db2.gz OHEPPDXOUMFBHH-LLVKDONJSA-N 0 0 327.371 2.643 10 10 EFCERN Cc1cc(Cn2nnn(-c3ccccc3)c2=O)ccc1N1CCCCC1 ZINC001165334272 1312610823 /nfs/dbraw/zinc/61/08/23/1312610823.db2.gz ZDLVPJDSHPRHJP-UHFFFAOYSA-N 0 0 349.438 2.776 10 10 EFCERN O=Cc1cccc(OCCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165498767 1312638518 /nfs/dbraw/zinc/63/85/18/1312638518.db2.gz RBPAKKFRKJUFMQ-UHFFFAOYSA-N 0 0 333.771 2.943 10 10 EFCERN C=C1c2ccccc2C(=O)N1CC(=O)NCc1cc(Cl)ccc1O ZINC001165498759 1312638707 /nfs/dbraw/zinc/63/87/07/1312638707.db2.gz QSBDRVOJXZMOAO-UHFFFAOYSA-N 0 0 342.782 2.789 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001165507145 1312639798 /nfs/dbraw/zinc/63/97/98/1312639798.db2.gz ATHPUGUDEOLOOC-ZDUSSCGKSA-N 0 0 348.761 2.612 10 10 EFCERN COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC001165618125 1312654007 /nfs/dbraw/zinc/65/40/07/1312654007.db2.gz MWYAXJKSZFUVCA-GQSKFBFOSA-N 0 0 343.379 2.624 10 10 EFCERN COC(=O)c1ccccc1CN1CCN(c2ccc(OC)cc2)CC1 ZINC000179891406 1314718585 /nfs/dbraw/zinc/71/85/85/1314718585.db2.gz RBOPGUNEZITDOX-UHFFFAOYSA-N 0 0 340.423 2.804 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NC[Si](C)(C)c2ccccc2)c1 ZINC001248656232 1314951255 /nfs/dbraw/zinc/95/12/55/1314951255.db2.gz LAVNENJGIMLBLC-UHFFFAOYSA-N 0 0 328.488 2.655 10 10 EFCERN CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000191258790 1315343308 /nfs/dbraw/zinc/34/33/08/1315343308.db2.gz NJGAKJVLICGBSJ-NVXWUHKLSA-N 0 0 349.500 2.607 10 10 EFCERN Cc1cc(CCNC(=O)N2CC[C@H](O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001253808007 1315640461 /nfs/dbraw/zinc/64/04/61/1315640461.db2.gz LXGCVNAGECNRFX-LPHOPBHVSA-N 0 0 341.455 2.801 10 10 EFCERN Cc1nnc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC001256503265 1315949892 /nfs/dbraw/zinc/94/98/92/1315949892.db2.gz DEFGGDKVHLDJIK-JTQLQIEISA-N 0 0 330.388 2.523 10 10 EFCERN COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C)c1O ZINC000827487964 1315988767 /nfs/dbraw/zinc/98/87/67/1315988767.db2.gz AUPLOJSSFSCEKL-INIZCTEOSA-N 0 0 327.808 2.508 10 10 EFCERN COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000827488205 1315988923 /nfs/dbraw/zinc/98/89/23/1315988923.db2.gz DOVJYFDOIQGQRO-HXUWFJFHSA-N 0 0 346.471 2.831 10 10 EFCERN CCOc1ccccc1C(F)(F)C(=O)NCc1ccc(O)cc1O ZINC001299573936 1316230410 /nfs/dbraw/zinc/23/04/10/1316230410.db2.gz LPYGXRACZCMZES-UHFFFAOYSA-N 0 0 337.322 2.905 10 10 EFCERN CC[C@](O)(C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001299574983 1316231286 /nfs/dbraw/zinc/23/12/86/1316231286.db2.gz VUTGVERVEKBLFN-QGZVFWFLSA-N 0 0 335.787 2.665 10 10 EFCERN O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccc2cccnc2c1O ZINC001299721279 1316377524 /nfs/dbraw/zinc/37/75/24/1316377524.db2.gz FGOMLXRFLRJHLJ-MRXNPFEDSA-N 0 0 340.354 2.819 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1-c1ccco1 ZINC001299724542 1316379647 /nfs/dbraw/zinc/37/96/47/1316379647.db2.gz DYBSYBXKQIIFAM-UHFFFAOYSA-N 0 0 334.335 2.854 10 10 EFCERN C[C@H]1C[C@H](CNC(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1 ZINC001261672542 1316424697 /nfs/dbraw/zinc/42/46/97/1316424697.db2.gz WKJHVZKEGGJNOU-FICVDOATSA-N 0 0 332.444 2.539 10 10 EFCERN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCCC1=O ZINC001264287143 1316602737 /nfs/dbraw/zinc/60/27/37/1316602737.db2.gz LORKZTFYOIGPQO-SFHVURJKSA-N 0 0 343.471 2.646 10 10 EFCERN Cc1cc(=O)c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c[nH]1 ZINC001264287451 1316602851 /nfs/dbraw/zinc/60/28/51/1316602851.db2.gz YKGWRVZVAYPJPM-UHFFFAOYSA-N 0 0 325.412 2.556 10 10 EFCERN COC(=O)C(C)(C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001266150917 1317101452 /nfs/dbraw/zinc/10/14/52/1317101452.db2.gz QMBWPKCRMNDGDB-UHFFFAOYSA-N 0 0 342.439 2.952 10 10 EFCERN Cc1nc(CC(=O)N2CCOc3cc(N(C)C)ccc32)sc1C ZINC001318868407 1328727442 /nfs/dbraw/zinc/72/74/42/1328727442.db2.gz IWEOAURJWYWQNN-UHFFFAOYSA-N 0 0 331.441 2.794 10 10 EFCERN CCCCCC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285740550 1321062406 /nfs/dbraw/zinc/06/24/06/1321062406.db2.gz DIIVHICKROONDO-LBPRGKRZSA-N 0 0 347.419 2.664 10 10 EFCERN Cn1nc2c(c1NC(=O)c1ccc(C3=S=CC=C3)o1)CCCC2 ZINC001287333343 1321450413 /nfs/dbraw/zinc/45/04/13/1321450413.db2.gz ZPBHFMDXZYDBGH-UHFFFAOYSA-N 0 0 327.409 2.770 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001290719737 1321944724 /nfs/dbraw/zinc/94/47/24/1321944724.db2.gz YGSAPTZUTHHLOG-SJLPKXTDSA-N 0 0 344.459 2.990 10 10 EFCERN CCOCCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001291611175 1321988102 /nfs/dbraw/zinc/98/81/02/1321988102.db2.gz FVWYURRXGPXVJN-UHFFFAOYSA-N 0 0 348.403 2.507 10 10 EFCERN C[C@H](COc1ccc(F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001291927505 1322023346 /nfs/dbraw/zinc/02/33/46/1322023346.db2.gz BESWLTOLEJTZGB-KNVNGTOESA-N 0 0 331.343 2.834 10 10 EFCERN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001293568907 1322286478 /nfs/dbraw/zinc/28/64/78/1322286478.db2.gz RAMNVTZRTFALAA-ZDUSSCGKSA-N 0 0 332.425 2.941 10 10 EFCERN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001294202416 1322430050 /nfs/dbraw/zinc/43/00/50/1322430050.db2.gz SCUYCNNBABGFIO-GOSISDBHSA-N 0 0 327.380 2.549 10 10 EFCERN CC(=O)N/C(=C\c1cccs1)C(=O)N(C)Cc1ccccc1O ZINC001294673357 1322541679 /nfs/dbraw/zinc/54/16/79/1322541679.db2.gz FJFAVBFHPRCISK-GDNBJRDFSA-N 0 0 330.409 2.589 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cnc(SC)[nH]c1=O ZINC001294681314 1322542517 /nfs/dbraw/zinc/54/25/17/1322542517.db2.gz DDIFHUSIAVEUBD-UHFFFAOYSA-N 0 0 333.413 2.662 10 10 EFCERN Nc1c(Cl)ccc(C(=O)NCc2ccc(O)c(O)c2)c1Cl ZINC001294871584 1322586798 /nfs/dbraw/zinc/58/67/98/1322586798.db2.gz RPBAWMFREATZQH-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)c1O ZINC001294924698 1322599911 /nfs/dbraw/zinc/59/99/11/1322599911.db2.gz HIOWJNIWHDNMKG-AWEZNQCLSA-N 0 0 342.420 2.579 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3cnn(C)c3)o2)c1 ZINC001294937337 1322603434 /nfs/dbraw/zinc/60/34/34/1322603434.db2.gz NLOYKGIVWGACLU-NSHDSACASA-N 0 0 341.367 2.885 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC001295274955 1322669952 /nfs/dbraw/zinc/66/99/52/1322669952.db2.gz AWVHKWYVLJGFAM-GOSISDBHSA-N 0 0 346.471 2.939 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CSC(C)C ZINC001295591148 1322729874 /nfs/dbraw/zinc/72/98/74/1322729874.db2.gz VFDXDROXIZJEIA-UHFFFAOYSA-N 0 0 345.848 2.689 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001295793196 1322781322 /nfs/dbraw/zinc/78/13/22/1322781322.db2.gz KKIWNVIULULWGA-YJYMSZOUSA-N 0 0 340.423 2.750 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)cc1 ZINC001295892148 1322800299 /nfs/dbraw/zinc/80/02/99/1322800299.db2.gz ONUREFOQMSDNSD-KGLIPLIRSA-N 0 0 328.372 2.823 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001296754264 1323003430 /nfs/dbraw/zinc/00/34/30/1323003430.db2.gz UBULLUPUESGNAQ-QAPCUYQASA-N 0 0 327.380 2.677 10 10 EFCERN Cc1ccc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001297058260 1323078917 /nfs/dbraw/zinc/07/89/17/1323078917.db2.gz YAHNNPCTQUVIGM-OAHLLOKOSA-N 0 0 326.356 2.621 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C2OCCO2)c1 ZINC001297463849 1323225789 /nfs/dbraw/zinc/22/57/89/1323225789.db2.gz HJCUZHHZIOCTHO-FNORWQNLSA-N 0 0 327.336 2.795 10 10 EFCERN Cc1cc(CCNC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1ccccc1 ZINC000746425113 1324061994 /nfs/dbraw/zinc/06/19/94/1324061994.db2.gz FPBYOENKHOLOQO-UHFFFAOYSA-N 0 0 335.407 2.700 10 10 EFCERN Cc1cc(CNC(=O)Cn2ccc(C)cc2=O)c(C)n1-c1ccccc1 ZINC001302267050 1324570356 /nfs/dbraw/zinc/57/03/56/1324570356.db2.gz IRRPEZNNIHPAJD-UHFFFAOYSA-N 0 0 349.434 2.881 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cccc(F)c1Br ZINC001303195311 1324596677 /nfs/dbraw/zinc/59/66/77/1324596677.db2.gz TWTNBPBIXZANOU-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001303849387 1324623138 /nfs/dbraw/zinc/62/31/38/1324623138.db2.gz RYISNROFKBNASO-LLVKDONJSA-N 0 0 348.403 2.947 10 10 EFCERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1c(O)cccc1F ZINC001303879329 1324624821 /nfs/dbraw/zinc/62/48/21/1324624821.db2.gz YCGBLNJWJSIHNT-UHFFFAOYSA-N 0 0 336.344 2.848 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(Br)ccc1F ZINC001304050163 1324633914 /nfs/dbraw/zinc/63/39/14/1324633914.db2.gz JKEXMQGHQAYGNT-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc2c(Cl)cccc2c1O ZINC001304053936 1324634785 /nfs/dbraw/zinc/63/47/85/1324634785.db2.gz WUQOQLSQFASFCH-UHFFFAOYSA-N 0 0 344.754 2.523 10 10 EFCERN Cc1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001304237812 1324646825 /nfs/dbraw/zinc/64/68/25/1324646825.db2.gz DEHRSRSBWJPZRZ-AWEZNQCLSA-N 0 0 345.516 2.951 10 10 EFCERN CC[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001305828659 1324691917 /nfs/dbraw/zinc/69/19/17/1324691917.db2.gz OSSYWYCWBIBCOK-HNNXBMFYSA-N 0 0 330.432 2.923 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)C(C)C)c2C)cc1 ZINC001305992093 1324695379 /nfs/dbraw/zinc/69/53/79/1324695379.db2.gz UPFPFXTXKVZCKQ-SFHVURJKSA-N 0 0 330.428 2.849 10 10 EFCERN COc1ccc(Cl)cc1CNC(=O)c1c(F)ccc(O)c1O ZINC001306462257 1324709597 /nfs/dbraw/zinc/70/95/97/1324709597.db2.gz RMAUEAVJSGTKEV-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN CC[C@@H](C)C[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)[O-] ZINC000901676065 1324753380 /nfs/dbraw/zinc/75/33/80/1324753380.db2.gz VOXVZQHOSNDSJY-PBHICJAKSA-N 0 0 345.443 2.919 10 10 EFCERN CCN(CC)c1ccc(C[N@@H+]2CCSC[C@H](C(=O)[O-])C2)cc1F ZINC000901892633 1324759008 /nfs/dbraw/zinc/75/90/08/1324759008.db2.gz YZVWHWMIMHZJRE-CQSZACIVSA-N 0 0 340.464 2.922 10 10 EFCERN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752601712 1324760821 /nfs/dbraw/zinc/76/08/21/1324760821.db2.gz VNIXHDTUOCAQSI-DHZHZOJOSA-N 0 0 328.324 2.726 10 10 EFCERN COc1ccc(C[NH2+][C@@](C)(CC(=O)[O-])C2CC2)cc1Cn1cccn1 ZINC000901949531 1324762282 /nfs/dbraw/zinc/76/22/82/1324762282.db2.gz GLDBAGKAMZBJTR-IBGZPJMESA-N 0 0 343.427 2.673 10 10 EFCERN COC(=O)c1cc(OCc2cn3ccccc3n2)ccc1N(C)C ZINC001307389535 1324765693 /nfs/dbraw/zinc/76/56/93/1324765693.db2.gz QXSXWSZVWSQKEQ-UHFFFAOYSA-N 0 0 325.368 2.766 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000904002217 1324859787 /nfs/dbraw/zinc/85/97/87/1324859787.db2.gz QASVLBRXFXUXEV-FYCOFBDGSA-N 0 0 348.443 2.540 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000904002218 1324860321 /nfs/dbraw/zinc/86/03/21/1324860321.db2.gz QASVLBRXFXUXEV-MWWKQMNYSA-N 0 0 348.443 2.540 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+]CCc2cccc(C(=O)[O-])n2)cc1 ZINC000904016007 1324860367 /nfs/dbraw/zinc/86/03/67/1324860367.db2.gz ASVRDXQKMRCMLT-PLNGDYQASA-N 0 0 325.412 2.691 10 10 EFCERN CO[C@H](C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-])C1CC1 ZINC000904023850 1324861039 /nfs/dbraw/zinc/86/10/39/1324861039.db2.gz KYFUVKLRBXQELQ-JTDRTSHGSA-N 0 0 332.444 2.624 10 10 EFCERN CO[C@H](C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-])C1CC1 ZINC000904023849 1324861113 /nfs/dbraw/zinc/86/11/13/1324861113.db2.gz KYFUVKLRBXQELQ-IFOCYFHOSA-N 0 0 332.444 2.624 10 10 EFCERN Cc1nc(C)c(/C=C2\OCCn3c(C=O)c(Br)nc32)o1 ZINC000905086813 1324906221 /nfs/dbraw/zinc/90/62/21/1324906221.db2.gz ZLEIKLPDRQETDG-WZUFQYTHSA-N 0 0 338.161 2.591 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1C1CC1 ZINC001314753368 1325042904 /nfs/dbraw/zinc/04/29/04/1325042904.db2.gz NRKYVAZIXSKEDM-UHFFFAOYSA-N 0 0 335.411 2.941 10 10 EFCERN CO[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)C1CC1 ZINC001315210454 1325050408 /nfs/dbraw/zinc/05/04/08/1325050408.db2.gz PNGSZNNYLIPNOO-QGZVFWFLSA-N 0 0 342.443 2.923 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC(C)(C)O3)CC2)cc1 ZINC001321359107 1329376912 /nfs/dbraw/zinc/37/69/12/1329376912.db2.gz JWCFBRLQNFNNKN-KRWDZBQOSA-N 0 0 332.444 2.692 10 10 EFCERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001323417517 1329541889 /nfs/dbraw/zinc/54/18/89/1329541889.db2.gz HFALJGVMORYFBA-UHFFFAOYSA-N 0 0 333.691 2.740 10 10 EFCERN CC1CCC(C)(CNC(=O)C(=O)N(C)Cc2ccccc2O)CC1 ZINC001325461009 1329689758 /nfs/dbraw/zinc/68/97/58/1329689758.db2.gz IRTBMUGXRBIXRM-UHFFFAOYSA-N 0 0 332.444 2.683 10 10 EFCERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001327901910 1330528169 /nfs/dbraw/zinc/52/81/69/1330528169.db2.gz JOVBQSVEZDUBRB-OAHLLOKOSA-N 0 0 345.487 2.844 10 10 EFCERN COc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)nc1 ZINC001328129913 1330561231 /nfs/dbraw/zinc/56/12/31/1330561231.db2.gz PYILGHZVONCWCE-UHFFFAOYSA-N 0 0 330.407 2.593 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001328296109 1330583302 /nfs/dbraw/zinc/58/33/02/1330583302.db2.gz TXWGJGCJKRXKPD-SFHVURJKSA-N 0 0 345.487 2.652 10 10 EFCERN CN1CCN(c2ccc(CNc3ccnc(F)c3F)cc2F)CC1 ZINC001328570129 1330603455 /nfs/dbraw/zinc/60/34/55/1330603455.db2.gz LJNOUAXDJUERLI-UHFFFAOYSA-N 0 0 336.361 2.863 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC001329721210 1330730579 /nfs/dbraw/zinc/73/05/79/1330730579.db2.gz BZZVSJQVWCCLHT-FUHWJXTLSA-N 0 0 331.460 2.900 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CCF)C2)cc1 ZINC001329723169 1330731209 /nfs/dbraw/zinc/73/12/09/1330731209.db2.gz ROESQFCEOMDDEI-KRWDZBQOSA-N 0 0 337.439 2.803 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnoc3C3CC3)C2)cc1 ZINC001331228531 1330807901 /nfs/dbraw/zinc/80/79/01/1330807901.db2.gz FJOJDQVRJODRFA-ZDUSSCGKSA-N 0 0 327.384 2.569 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](CCF)C1 ZINC001331270277 1330812960 /nfs/dbraw/zinc/81/29/60/1330812960.db2.gz FFCVIVAETGJIQT-KRWDZBQOSA-N 0 0 335.423 2.557 10 10 EFCERN CC[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC001332644130 1330995050 /nfs/dbraw/zinc/99/50/50/1330995050.db2.gz ZLYHTEFGILQKMD-INIZCTEOSA-N 0 0 344.386 2.757 10 10 EFCERN Cc1oc(C=O)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001332931518 1331049260 /nfs/dbraw/zinc/04/92/60/1331049260.db2.gz IMIQGAJMAZYWAA-UHFFFAOYSA-N 0 0 344.436 2.884 10 10 EFCERN CCc1cc(CC(=O)NCc2ccc(N(CC)CC)cc2)n(C)n1 ZINC001333430273 1331141650 /nfs/dbraw/zinc/14/16/50/1331141650.db2.gz SNRUCMTZQMSBDJ-UHFFFAOYSA-N 0 0 328.460 2.688 10 10 EFCERN C[C@H](NC(=O)C(=O)N1CCC[C@@H](CCF)C1)c1ccc(N(C)C)cc1 ZINC001334123850 1331251630 /nfs/dbraw/zinc/25/16/30/1331251630.db2.gz VKPMPAWCSCRXBJ-GJZGRUSLSA-N 0 0 349.450 2.528 10 10 EFCERN COc1cc(N(C)Cc2cc(Cl)n(C)n2)cc(OC)c1OC ZINC001334973798 1331332601 /nfs/dbraw/zinc/33/26/01/1331332601.db2.gz YVLYBBPXRGRHBE-UHFFFAOYSA-N 0 0 325.796 2.736 10 10 EFCERN O=C(C(=O)N1CCC[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001335548545 1331371628 /nfs/dbraw/zinc/37/16/28/1331371628.db2.gz UBWGKXFIMNHSMO-QGZVFWFLSA-N 0 0 336.391 2.598 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOCCCO ZINC001346082594 1332597777 /nfs/dbraw/zinc/59/77/77/1332597777.db2.gz IQJDMEZMXNBACV-UHFFFAOYSA-N 0 0 330.428 2.531 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@@H]1Cc2cccnc2C1 ZINC001346912690 1332702788 /nfs/dbraw/zinc/70/27/88/1332702788.db2.gz HOCUWMDCCHTEDK-GFCCVEGCSA-N 0 0 347.212 2.581 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2O)[C@H]2C[C@H]21 ZINC001346919590 1332703586 /nfs/dbraw/zinc/70/35/86/1332703586.db2.gz DIRTVSNSUXPCQR-LJISPDSOSA-N 0 0 346.427 2.558 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001347205994 1332724159 /nfs/dbraw/zinc/72/41/59/1332724159.db2.gz RVNPZAZWUYWIGL-DOTOQJQBSA-N 0 0 339.819 2.780 10 10 EFCERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cccc(O)c2O)c1 ZINC001347234394 1332726504 /nfs/dbraw/zinc/72/65/04/1332726504.db2.gz NTMRZGNBSGXBGP-ZFWWWQNUSA-N 0 0 343.379 2.535 10 10 EFCERN CC(C)(C)Oc1cccc(CCC(=O)NCc2cccc(O)c2O)n1 ZINC001347542523 1332754206 /nfs/dbraw/zinc/75/42/06/1332754206.db2.gz NCTNQCPEINSZRP-UHFFFAOYSA-N 0 0 344.411 2.919 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc[n+]([O-])c2)cc1 ZINC001347837047 1332777126 /nfs/dbraw/zinc/77/71/26/1332777126.db2.gz JHHDQVOTQNDHLF-UHFFFAOYSA-N 0 0 328.416 2.830 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)c(O)c1O ZINC001347867740 1332779474 /nfs/dbraw/zinc/77/94/74/1332779474.db2.gz ILTXGRGOXDHRFQ-HZPDHXFCSA-N 0 0 329.396 2.894 10 10 EFCERN COc1ccc(C(=O)NCc2cccc(O)c2O)c(OCC2CC2)c1 ZINC001348048374 1332795228 /nfs/dbraw/zinc/79/52/28/1332795228.db2.gz SPWYSBYVXZBBRG-UHFFFAOYSA-N 0 0 343.379 2.825 10 10 EFCERN COC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC001348044739 1332795312 /nfs/dbraw/zinc/79/53/12/1332795312.db2.gz JUSIBAJYEDZELC-INIZCTEOSA-N 0 0 330.359 2.944 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1C1CCOCC1 ZINC001348098967 1332799994 /nfs/dbraw/zinc/79/99/94/1332799994.db2.gz BFZJHNQDWHROSI-UHFFFAOYSA-N 0 0 342.443 2.539 10 10 EFCERN CCCN(CC)c1ccc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001349079771 1332903309 /nfs/dbraw/zinc/90/33/09/1332903309.db2.gz QGAPRTCLCPGSLT-UHFFFAOYSA-N 0 0 329.400 2.659 10 10 EFCERN CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001349119896 1332907173 /nfs/dbraw/zinc/90/71/73/1332907173.db2.gz VYUXRRZMYPHOGE-HKUYNNGSSA-N 0 0 346.471 2.687 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC2CC3(CC3(F)F)C2)c1 ZINC001350394016 1333073975 /nfs/dbraw/zinc/07/39/75/1333073975.db2.gz GZXGADPFZAMOPL-SBTGLGLWSA-N 0 0 326.343 2.949 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC001350715364 1333119775 /nfs/dbraw/zinc/11/97/75/1333119775.db2.gz GYFKYVULVAEKIA-YJBOKZPZSA-N 0 0 332.444 2.549 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC001350715362 1333120113 /nfs/dbraw/zinc/12/01/13/1333120113.db2.gz GYFKYVULVAEKIA-QAPCUYQASA-N 0 0 332.444 2.549 10 10 EFCERN CCn1cccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001350841974 1333140208 /nfs/dbraw/zinc/14/02/08/1333140208.db2.gz LCFJRARUDHSINV-UHFFFAOYSA-N 0 0 327.428 2.617 10 10 EFCERN CC(C)[C@H](O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001351099647 1333180088 /nfs/dbraw/zinc/18/00/88/1333180088.db2.gz QYVHDBPYDQSHMG-ARWBIZCKSA-N 0 0 341.407 2.985 10 10 EFCERN Cc1ccc(-c2nn(C)cc2C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001351330291 1333213066 /nfs/dbraw/zinc/21/30/66/1333213066.db2.gz MWZHMEARGGLVPQ-UHFFFAOYSA-N 0 0 338.411 2.985 10 10 EFCERN CN1CCN(c2ccc(Cn3cnc4c3CCCC4)cc2F)CC1 ZINC001351627945 1333259674 /nfs/dbraw/zinc/25/96/74/1333259674.db2.gz MANUSMIBSJCCES-UHFFFAOYSA-N 0 0 328.435 2.701 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn2cccnc12 ZINC001351674687 1333266708 /nfs/dbraw/zinc/26/67/08/1333266708.db2.gz XMSFYQDDAKMBNK-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001351672818 1333266923 /nfs/dbraw/zinc/26/69/23/1333266923.db2.gz HJAHOFONCIXDCK-RBUKOAKNSA-N 0 0 338.455 2.782 10 10 EFCERN Cn1ncc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1C1CC1 ZINC001351767152 1333283896 /nfs/dbraw/zinc/28/38/96/1333283896.db2.gz HWTUFXVQMFHFKG-UHFFFAOYSA-N 0 0 343.450 2.801 10 10 EFCERN c1cnc(C2(NCc3ccc(N4CCCC4)cc3)CCOCC2)nc1 ZINC001352033704 1333360923 /nfs/dbraw/zinc/36/09/23/1333360923.db2.gz IVUWVLYYSMAHMJ-UHFFFAOYSA-N 0 0 338.455 2.872 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000847278048 1333472114 /nfs/dbraw/zinc/47/21/14/1333472114.db2.gz XIZJPQDPTKMEKO-ROUUACIJSA-N 0 0 331.460 2.900 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000847278049 1333472228 /nfs/dbraw/zinc/47/22/28/1333472228.db2.gz XIZJPQDPTKMEKO-ZWKOTPCHSA-N 0 0 331.460 2.900 10 10 EFCERN CCNc1cccnc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001352423837 1333528525 /nfs/dbraw/zinc/52/85/25/1333528525.db2.gz OJOJUDMESCEAAU-CQSZACIVSA-N 0 0 340.427 2.531 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000847316763 1333536837 /nfs/dbraw/zinc/53/68/37/1333536837.db2.gz LAXOHNRPTITKFH-HNNXBMFYSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)c1 ZINC000847316765 1333537184 /nfs/dbraw/zinc/53/71/84/1333537184.db2.gz LAXOHNRPTITKFH-OAHLLOKOSA-N 0 0 334.416 2.692 10 10 EFCERN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847382248 1333634107 /nfs/dbraw/zinc/63/41/07/1333634107.db2.gz ZFZHDURUSXGLDA-JQIJEIRASA-N 0 0 337.423 2.638 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)NC(N)=O ZINC000847398822 1333659729 /nfs/dbraw/zinc/65/97/29/1333659729.db2.gz LADALWDNGMBEDA-AWEZNQCLSA-N 0 0 346.475 2.519 10 10 EFCERN COCCCOc1cccc(C(=O)NCc2cccc(O)c2O)c1C ZINC001352668767 1333661309 /nfs/dbraw/zinc/66/13/09/1333661309.db2.gz DLFVLFGHAWAZII-UHFFFAOYSA-N 0 0 345.395 2.752 10 10 EFCERN CCCCN(Cc1ccccc1O)c1nnnn1Cc1cc(C)on1 ZINC001354341725 1334241239 /nfs/dbraw/zinc/24/12/39/1334241239.db2.gz SODBDJUCWFKQFC-UHFFFAOYSA-N 0 0 342.403 2.530 10 10 EFCERN C/C(=C\C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1)c1cnccn1 ZINC001354919119 1334593184 /nfs/dbraw/zinc/59/31/84/1334593184.db2.gz NROSKCUEESPKEO-UKTHLTGXSA-N 0 0 337.358 2.976 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848347407 1334680841 /nfs/dbraw/zinc/68/08/41/1334680841.db2.gz QELAAYJXJRSYRU-IRMMPQFQSA-N 0 0 345.317 2.727 10 10 EFCERN Nc1ccc(CCNC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC000848394691 1334705694 /nfs/dbraw/zinc/70/56/94/1334705694.db2.gz OKPQAMUDNQLRLE-UHFFFAOYSA-N 0 0 328.290 2.775 10 10 EFCERN C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000848559798 1334795217 /nfs/dbraw/zinc/79/52/17/1334795217.db2.gz ZVPVMLAYISORER-WUHRBBMRSA-N 0 0 328.403 2.819 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848561998 1334796352 /nfs/dbraw/zinc/79/63/52/1334796352.db2.gz GQSTZGACPBKDOZ-LLCTXKFZSA-N 0 0 327.432 2.525 10 10 EFCERN COc1ccc(N2CC[C@H](CNc3ncnc(C)c3OC)C2)cc1 ZINC000848727838 1334864026 /nfs/dbraw/zinc/86/40/26/1334864026.db2.gz JQWGKPXMRRVKAN-CQSZACIVSA-N 0 0 328.416 2.741 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000848777151 1334891694 /nfs/dbraw/zinc/89/16/94/1334891694.db2.gz NXHVUMYFHQXZJQ-PCGIRMHASA-N 0 0 346.343 2.670 10 10 EFCERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cccc(CC)c1O ZINC000848905564 1334976468 /nfs/dbraw/zinc/97/64/68/1334976468.db2.gz JTWSTJJELIWKNG-KRWDZBQOSA-N 0 0 328.412 2.614 10 10 EFCERN CCc1cccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O ZINC000848914750 1334983325 /nfs/dbraw/zinc/98/33/25/1334983325.db2.gz SDHUGPKGVYAUFI-KSSFIOAISA-N 0 0 343.423 2.537 10 10 EFCERN COc1cc(O)c(CN[C@@H](C)C(=O)OCc2ccccc2)cc1OC ZINC000848921276 1334987796 /nfs/dbraw/zinc/98/77/96/1334987796.db2.gz QSYOGJLRFNDKQL-ZDUSSCGKSA-N 0 0 345.395 2.631 10 10 EFCERN CN(Cc1cccs1)c1ccc(CN2CCn3nncc3C2)cc1 ZINC000848922267 1334989140 /nfs/dbraw/zinc/98/91/40/1334989140.db2.gz PNPHUPCMZKWMPA-UHFFFAOYSA-N 0 0 339.468 2.992 10 10 EFCERN COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000848926750 1334991792 /nfs/dbraw/zinc/99/17/92/1334991792.db2.gz XXQLFEIGQLKAEM-GFCCVEGCSA-N 0 0 326.393 2.850 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C=O)ccc1OC ZINC000935943589 1335463765 /nfs/dbraw/zinc/46/37/65/1335463765.db2.gz AFGUQKJSTITLDS-UHFFFAOYSA-N 0 0 334.368 2.629 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccncc2)on1 ZINC000935946225 1335464574 /nfs/dbraw/zinc/46/45/74/1335464574.db2.gz BXUNNFCKJBIBCS-UHFFFAOYSA-N 0 0 344.367 2.858 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000935946444 1335464671 /nfs/dbraw/zinc/46/46/71/1335464671.db2.gz HNQICKSGNXGMEW-INIZCTEOSA-N 0 0 346.379 2.796 10 10 EFCERN COc1cc(C)c(C)cc1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849234635 1335573400 /nfs/dbraw/zinc/57/34/00/1335573400.db2.gz JCIIVHFHSMZKRU-UHFFFAOYSA-N 0 0 340.379 2.986 10 10 EFCERN CC[C@H](C)C[C@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358102 1335598023 /nfs/dbraw/zinc/59/80/23/1335598023.db2.gz SKOCKJHPMIVFOL-JLJPHGGASA-N 0 0 345.443 2.631 10 10 EFCERN C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1(F)F ZINC000849363154 1335598777 /nfs/dbraw/zinc/59/87/77/1335598777.db2.gz FCZUTBIIWFSZNA-CQSZACIVSA-N 0 0 344.745 2.855 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2cccnc2n1 ZINC001360848373 1335948363 /nfs/dbraw/zinc/94/83/63/1335948363.db2.gz SACGNTNKVDRQMW-UHFFFAOYSA-N 0 0 334.379 2.735 10 10 EFCERN Cc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492792443 1353636707 /nfs/dbraw/zinc/63/67/07/1353636707.db2.gz XWBIJGNKPFJZCJ-STQMWFEESA-N 0 0 331.439 2.932 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncc(Cl)cn1 ZINC001436844507 1387334139 /nfs/dbraw/zinc/33/41/39/1387334139.db2.gz CVJLEWWVNYHLQA-LBPRGKRZSA-N 0 0 332.835 2.865 10 10 EFCERN CC[C@@H](NC(C)=O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438303227 1388495068 /nfs/dbraw/zinc/49/50/68/1388495068.db2.gz NYDRUUSUNNHDSG-LJQANCHMSA-N 0 0 341.455 2.933 10 10 EFCERN Cn1cnc(/C=C\C(=O)N2CCc3cccc(Br)c32)c1 ZINC001438599498 1388690389 /nfs/dbraw/zinc/69/03/89/1388690389.db2.gz IKKKWYFRDVXGJV-WAYWQWQTSA-N 0 0 332.201 2.785 10 10 EFCERN Cc1ncsc1/C=C/C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001439441767 1389282479 /nfs/dbraw/zinc/28/24/79/1389282479.db2.gz KFAHCDBZZFVAPM-NSCUHMNNSA-N 0 0 335.335 2.728 10 10 EFCERN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001440650011 1389798122 /nfs/dbraw/zinc/79/81/22/1389798122.db2.gz YXWBMTAWISBBMS-BOPFTXTBSA-N 0 0 343.452 2.608 10 10 EFCERN Cc1cc(C=O)c(O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001440663493 1389806713 /nfs/dbraw/zinc/80/67/13/1389806713.db2.gz PXLFKSLOJWJIAW-UHFFFAOYSA-N 0 0 326.396 2.851 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001440712091 1389832416 /nfs/dbraw/zinc/83/24/16/1389832416.db2.gz JWFVEMQAUZOVSR-GOSISDBHSA-N 0 0 343.471 2.504 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1 ZINC001441182300 1391164624 /nfs/dbraw/zinc/16/46/24/1391164624.db2.gz APBXDQIQXRJLJA-UHFFFAOYSA-N 0 0 338.411 2.570 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)nc[nH]c3=O)c1 ZINC001445963156 1391545348 /nfs/dbraw/zinc/54/53/48/1391545348.db2.gz AVXACPNYICVGRN-SNVBAGLBSA-N 0 0 339.351 2.541 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001455350585 1394592640 /nfs/dbraw/zinc/59/26/40/1394592640.db2.gz SZIFQNDHJMFBCX-KRWDZBQOSA-N 0 0 343.379 2.586 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456308260 1394663087 /nfs/dbraw/zinc/66/30/87/1394663087.db2.gz HOSQTBNYKQGMNY-LSDHHAIUSA-N 0 0 327.380 2.751 10 10 EFCERN CC(C)(C)N1C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CC1=O ZINC001456313485 1394665578 /nfs/dbraw/zinc/66/55/78/1394665578.db2.gz XUQHUNUOTBZEDZ-CQSZACIVSA-N 0 0 340.423 2.809 10 10 EFCERN O=C(c1cccc(O)c1O)N(Cc1cncs1)Cc1cncs1 ZINC001456433980 1394691642 /nfs/dbraw/zinc/69/16/42/1394691642.db2.gz GOTDTUQDVXUREK-UHFFFAOYSA-N 0 0 347.421 2.853 10 10 EFCERN C[S@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001457098622 1394969315 /nfs/dbraw/zinc/96/93/15/1394969315.db2.gz WAWKCXRSGSHVLN-JOCHJYFZSA-N 0 0 339.800 2.977 10 10 EFCERN O=C(NCc1c(F)cccc1OC(F)F)c1c(F)ccc(O)c1O ZINC001457783269 1395327972 /nfs/dbraw/zinc/32/79/72/1395327972.db2.gz SWMTZTUIZIKKJP-UHFFFAOYSA-N 0 0 345.248 2.907 10 10 EFCERN O=C(Nc1nc(CCO)cs1)c1cc2cc(O)c(O)cc2s1 ZINC001457827981 1395350491 /nfs/dbraw/zinc/35/04/91/1395350491.db2.gz YRGICAPTBUVFDJ-UHFFFAOYSA-N 0 0 336.394 2.556 10 10 EFCERN CN(C)c1ccc(CNc2ccc3nnc(Br)n3n2)cc1 ZINC001458075055 1395403153 /nfs/dbraw/zinc/40/31/53/1395403153.db2.gz JHNCMFWXRDQKAB-UHFFFAOYSA-N 0 0 347.220 2.565 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccco3)C2)cc1OC ZINC001458236880 1395429293 /nfs/dbraw/zinc/42/92/93/1395429293.db2.gz JZFUIUWFHRKLFI-INIZCTEOSA-N 0 0 334.328 2.783 10 10 EFCERN Cn1c(=O)c([N+](=O)[O-])c(NCc2c(O)cccc2F)c2ccccc21 ZINC001458615445 1395522685 /nfs/dbraw/zinc/52/26/85/1395522685.db2.gz DLFKBEQSNSPTSY-UHFFFAOYSA-N 0 0 343.314 2.904 10 10 EFCERN CNC(=O)c1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC001462887153 1396458453 /nfs/dbraw/zinc/45/84/53/1396458453.db2.gz RFASUTVLYNPCFU-ZHACJKMWSA-N 0 0 346.390 2.666 10 10 EFCERN CCOc1ncccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001464003433 1396538282 /nfs/dbraw/zinc/53/82/82/1396538282.db2.gz FYKNBYAZTJCCEB-UHFFFAOYSA-N 0 0 327.344 2.573 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001464471906 1396579684 /nfs/dbraw/zinc/57/96/84/1396579684.db2.gz YCCKAQBYGYRWLD-OXJNMPFZSA-N 0 0 341.407 2.924 10 10 EFCERN CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001464656085 1396594362 /nfs/dbraw/zinc/59/43/62/1396594362.db2.gz IMAWQMUIKDYOSA-HNNXBMFYSA-N 0 0 327.380 2.843 10 10 EFCERN O=C(NCCCSc1nccs1)c1cccc2[nH]c(=O)[nH]c21 ZINC001464902387 1396628684 /nfs/dbraw/zinc/62/86/84/1396628684.db2.gz QQHADVPHPCIRFZ-UHFFFAOYSA-N 0 0 334.426 2.637 10 10 EFCERN Cc1nc[nH]c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001464962934 1396635059 /nfs/dbraw/zinc/63/50/59/1396635059.db2.gz SKLANOGJKALEGE-UHFFFAOYSA-N 0 0 326.444 2.813 10 10 EFCERN Cc1c(F)ccc(N)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001465409711 1396678554 /nfs/dbraw/zinc/67/85/54/1396678554.db2.gz DZWPSPGDLNSIMX-UHFFFAOYSA-N 0 0 329.375 2.822 10 10 EFCERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465712346 1396704997 /nfs/dbraw/zinc/70/49/97/1396704997.db2.gz HOJVXKLOOQWEBX-OIRASMEMSA-N 0 0 347.436 2.597 10 10 EFCERN Cn1ccc(Nc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)n1 ZINC001465955584 1396725983 /nfs/dbraw/zinc/72/59/83/1396725983.db2.gz ZFDWKGBZJSCAQL-UHFFFAOYSA-N 0 0 338.367 2.505 10 10 EFCERN O=C(NCc1ccccc1O)c1cccn2cc(C(F)(F)F)nc12 ZINC001465990168 1396728455 /nfs/dbraw/zinc/72/84/55/1396728455.db2.gz DTYYJUYWAPOWQK-UHFFFAOYSA-N 0 0 335.285 2.989 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncc3c(F)cccn32)c1 ZINC001465991923 1396729224 /nfs/dbraw/zinc/72/92/24/1396729224.db2.gz HEYHVQUGGMSCMB-SNVBAGLBSA-N 0 0 329.331 2.679 10 10 EFCERN CCc1ncc(Cl)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC001465993733 1396729502 /nfs/dbraw/zinc/72/95/02/1396729502.db2.gz VZNKHIQENODDPG-SECBINFHSA-N 0 0 335.791 2.898 10 10 EFCERN C[S@](=O)Cc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001466747124 1396778954 /nfs/dbraw/zinc/77/89/54/1396778954.db2.gz OHGVQGGVHRQCJJ-LSYMRDCYSA-N 0 0 331.393 2.628 10 10 EFCERN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cc2cc(O)c(O)cc2s1 ZINC001467450254 1396857381 /nfs/dbraw/zinc/85/73/81/1396857381.db2.gz YYOCHFXASFMYGS-NEPJUHHUSA-N 0 0 326.377 2.993 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cccnn2)cc1 ZINC001467532406 1396865727 /nfs/dbraw/zinc/86/57/27/1396865727.db2.gz SRVMHUQEWHFZDP-UHFFFAOYSA-N 0 0 348.406 2.556 10 10 EFCERN Cc1cccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001467741609 1396890710 /nfs/dbraw/zinc/89/07/10/1396890710.db2.gz DXOXWTHMQPJLKM-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CC(=O)OC)c1 ZINC001467839790 1396902898 /nfs/dbraw/zinc/90/28/98/1396902898.db2.gz DOLBNZJHLIQRKL-UHFFFAOYSA-N 0 0 348.395 2.523 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(=O)OC(C)(C)C ZINC001467840765 1396903725 /nfs/dbraw/zinc/90/37/25/1396903725.db2.gz QJTBECSJJXAJIP-UHFFFAOYSA-N 0 0 328.405 2.616 10 10 EFCERN CCOC1CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC001468442322 1396957455 /nfs/dbraw/zinc/95/74/55/1396957455.db2.gz KJMZIVDCFHABKC-UHFFFAOYSA-N 0 0 342.439 2.776 10 10 EFCERN Cc1nc([C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)no1 ZINC001468438499 1396957939 /nfs/dbraw/zinc/95/79/39/1396957939.db2.gz AGCAPYXLPPRZJI-INIZCTEOSA-N 0 0 342.359 2.596 10 10 EFCERN COc1ccc(/C=C(/C)C(=O)NCc2ccc(O)cc2O)cc1F ZINC001469160846 1397006867 /nfs/dbraw/zinc/00/68/67/1397006867.db2.gz VBRASYIVJYBJKQ-XFFZJAGNSA-N 0 0 331.343 2.965 10 10 EFCERN C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001469225318 1397013078 /nfs/dbraw/zinc/01/30/78/1397013078.db2.gz STABUSMVDFDKTD-SJCJKPOMSA-N 0 0 349.427 2.609 10 10 EFCERN Cc1ncsc1CCC(=O)NCc1ccc2cccnc2c1O ZINC001469250422 1397015813 /nfs/dbraw/zinc/01/58/13/1397015813.db2.gz TYZIUXLEKALKKX-UHFFFAOYSA-N 0 0 327.409 2.954 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCCCN(C)OC)c2C)cc1 ZINC001469506719 1397034003 /nfs/dbraw/zinc/03/40/03/1397034003.db2.gz BRFNPZXUQDUYSH-UHFFFAOYSA-N 0 0 345.443 2.716 10 10 EFCERN Cc1ccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001469542206 1397035990 /nfs/dbraw/zinc/03/59/90/1397035990.db2.gz NBCNSRRCNBQNCG-AWEZNQCLSA-N 0 0 329.274 2.962 10 10 EFCERN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001469561714 1397037946 /nfs/dbraw/zinc/03/79/46/1397037946.db2.gz WZDMQLWTVZZRCK-AWEZNQCLSA-N 0 0 348.403 2.945 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cc2n(n1)CCCC2 ZINC001469625442 1397045756 /nfs/dbraw/zinc/04/57/56/1397045756.db2.gz YIHOZZXFZYBOAS-NSHDSACASA-N 0 0 340.387 2.873 10 10 EFCERN Cc1ccc(C(=O)N[C@H](C)COc2c(F)cccc2F)c(O)c1O ZINC001470011148 1397066173 /nfs/dbraw/zinc/06/61/73/1397066173.db2.gz PUFGAJVQZRJUKH-SNVBAGLBSA-N 0 0 337.322 2.882 10 10 EFCERN COc1ccccc1C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC001470014700 1397066830 /nfs/dbraw/zinc/06/68/30/1397066830.db2.gz BDPUIERGBKZTRU-ZDUSSCGKSA-N 0 0 344.411 2.840 10 10 EFCERN CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001470536325 1397097364 /nfs/dbraw/zinc/09/73/64/1397097364.db2.gz VMZUZMINYCQBSO-UHFFFAOYSA-N 0 0 339.355 2.585 10 10 EFCERN COc1ccc(F)c(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC001470878973 1397129450 /nfs/dbraw/zinc/12/94/50/1397129450.db2.gz SYWFWKUJUVIMAS-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN Cc1cc(CNC(=O)c2cc(C=O)n(C)n2)c(C)n1-c1ccccc1 ZINC001471017128 1397134341 /nfs/dbraw/zinc/13/43/41/1397134341.db2.gz FZKWERYLMOXWEW-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN C[C@@H](NC(=O)c1cccc(NC(=O)N(C)C)c1)c1ccccc1O ZINC001471195446 1397149774 /nfs/dbraw/zinc/14/97/74/1397149774.db2.gz ITFGSFTYPLVRJW-GFCCVEGCSA-N 0 0 327.384 2.977 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@]23C[C@H]2CCC3)cc1 ZINC001471416829 1397169714 /nfs/dbraw/zinc/16/97/14/1397169714.db2.gz ROECFWOGAZHDEZ-BEFAXECRSA-N 0 0 331.460 2.963 10 10 EFCERN Cc1oc(-c2cccs2)nc1CC(=O)NCc1cc(O)ccc1O ZINC001471661535 1397194569 /nfs/dbraw/zinc/19/45/69/1397194569.db2.gz RRIMZAFRMMRYQL-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN O=C(CCc1cccc(OC(F)F)c1)NCc1cc(O)ccc1O ZINC001471662149 1397194671 /nfs/dbraw/zinc/19/46/71/1397194671.db2.gz QGAWQKDKRAIXPJ-UHFFFAOYSA-N 0 0 337.322 2.948 10 10 EFCERN Cc1ccc(C2(C(=O)NCc3cc(O)ccc3O)CCOCC2)cc1 ZINC001471661707 1397194827 /nfs/dbraw/zinc/19/48/27/1397194827.db2.gz ZDUATJSXZBGHEO-UHFFFAOYSA-N 0 0 341.407 2.771 10 10 EFCERN COc1ccc([S@@](C)(=O)=NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001471989501 1397232197 /nfs/dbraw/zinc/23/21/97/1397232197.db2.gz OWVREVJOPLGLSO-RPXNDYEYSA-N 0 0 347.392 2.803 10 10 EFCERN COc1ccc(C[C@H](C)C(=O)NCc2c(O)cccc2O)cc1OC ZINC001472063837 1397242157 /nfs/dbraw/zinc/24/21/57/1397242157.db2.gz QNEUQURMVIPPJL-LBPRGKRZSA-N 0 0 345.395 2.610 10 10 EFCERN CC(=O)Nc1cccnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472084856 1397244763 /nfs/dbraw/zinc/24/47/63/1397244763.db2.gz FCMXEVGTDLZZCK-UHFFFAOYSA-N 0 0 335.363 2.829 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCc3c(O)ccc4ccccc43)no2)n1 ZINC001472085152 1397244914 /nfs/dbraw/zinc/24/49/14/1397244914.db2.gz LOSITSBZXRXBIE-UHFFFAOYSA-N 0 0 348.362 2.864 10 10 EFCERN COc1ccc(C(=O)NC(=O)CSc2ncc(Cl)s2)cc1 ZINC001473066014 1397280302 /nfs/dbraw/zinc/28/03/02/1397280302.db2.gz HONWYZGFFBAGFU-UHFFFAOYSA-N 0 0 342.829 2.854 10 10 EFCERN COC(=O)c1cc(OC[C@@H]2CCCC[C@H]2C(=O)OC)ccc1N(C)C ZINC001473077389 1397280860 /nfs/dbraw/zinc/28/08/60/1397280860.db2.gz SCYPYLJATDKVEP-DZGCQCFKSA-N 0 0 349.427 2.897 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC001473612964 1397315819 /nfs/dbraw/zinc/31/58/19/1397315819.db2.gz DKBOLTSTOHRRRR-MAUKXSAKSA-N 0 0 334.460 2.843 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCOC1 ZINC001478560177 1397584281 /nfs/dbraw/zinc/58/42/81/1397584281.db2.gz DKCFSSQMJWYHHR-QGZVFWFLSA-N 0 0 331.460 2.855 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001479123677 1397612174 /nfs/dbraw/zinc/61/21/74/1397612174.db2.gz AGTJJABESNCSDX-UHFFFAOYSA-N 0 0 329.356 2.917 10 10 EFCERN CN(C/C=C/Cl)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496844034 1401032772 /nfs/dbraw/zinc/03/27/72/1401032772.db2.gz NZFIKAXVWUGQTJ-SQDUUMJNSA-N 0 0 337.811 2.605 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCc1ccncc1 ZINC001498676050 1402237446 /nfs/dbraw/zinc/23/74/46/1402237446.db2.gz WHXCLTMCGPLBFP-UHFFFAOYSA-N 0 0 337.427 2.820 10 10 EFCERN CON(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C ZINC001505099917 1404531973 /nfs/dbraw/zinc/53/19/73/1404531973.db2.gz LCAIPXNNKVRZNR-MRXNPFEDSA-N 0 0 345.447 2.550 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001546296754 1405646740 /nfs/dbraw/zinc/64/67/40/1405646740.db2.gz WMTMEIXSOXEMSV-KUHUBIRLSA-N 0 0 326.440 2.866 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccc(O)c1 ZINC001556158019 1415056440 /nfs/dbraw/zinc/05/64/40/1415056440.db2.gz POHRPXQLGSSZNT-GFCCVEGCSA-N 0 0 329.396 2.828 10 10 EFCERN O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc2cc(O)c(O)cc2s1 ZINC001556198085 1415058302 /nfs/dbraw/zinc/05/83/02/1415058302.db2.gz UHYVXSGDMWAQDV-NSHDSACASA-N 0 0 341.388 2.915 10 10 EFCERN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@H]1O ZINC001556620272 1415080065 /nfs/dbraw/zinc/08/00/65/1415080065.db2.gz NIAFAFCXYOHGOJ-RTBURBONSA-N 0 0 342.439 2.543 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001557084762 1415103715 /nfs/dbraw/zinc/10/37/15/1415103715.db2.gz NKHMZZXQZXUDNZ-UHFFFAOYSA-N 0 0 336.347 2.587 10 10 EFCERN Cc1cc(C(=O)Nc2ccn(C)c(=O)n2)c(C)n1-c1cccc(C)c1 ZINC001557305893 1415118923 /nfs/dbraw/zinc/11/89/23/1415118923.db2.gz JAUYFLMATNGGMC-UHFFFAOYSA-N 0 0 336.395 2.583 10 10 EFCERN COc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001557462247 1415126937 /nfs/dbraw/zinc/12/69/37/1415126937.db2.gz ORGCKOYNSYMXMM-UHFFFAOYSA-N 0 0 327.344 2.525 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1 ZINC001557554461 1415131472 /nfs/dbraw/zinc/13/14/72/1415131472.db2.gz ZXACNKPYYRMCBF-AWEZNQCLSA-N 0 0 342.370 2.509 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnc(F)c(Br)c2)c1 ZINC001557552143 1415131519 /nfs/dbraw/zinc/13/15/19/1415131519.db2.gz FQSCPFAYNUEKFI-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)cc1 ZINC001557625257 1415134089 /nfs/dbraw/zinc/13/40/89/1415134089.db2.gz QLTMEBACRWILFV-UHFFFAOYSA-N 0 0 340.330 2.519 10 10 EFCERN COc1cncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001557687899 1415138046 /nfs/dbraw/zinc/13/80/46/1415138046.db2.gz CVFPZJNDIOXGMY-UHFFFAOYSA-N 0 0 330.365 2.646 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]nc3C)c2C)cc1 ZINC001557706569 1415139521 /nfs/dbraw/zinc/13/95/21/1415139521.db2.gz MWXLHNANYGZVCY-UHFFFAOYSA-N 0 0 325.372 2.782 10 10 EFCERN COC(=O)c1sc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001557720958 1415140209 /nfs/dbraw/zinc/14/02/09/1415140209.db2.gz WVMWDNGBUZOUEQ-GQCTYLIASA-N 0 0 333.365 2.906 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(c2ccccn2)C1 ZINC001557799881 1415146320 /nfs/dbraw/zinc/14/63/20/1415146320.db2.gz UQOGSMZAHALHSW-UHFFFAOYSA-N 0 0 326.377 2.947 10 10 EFCERN Cc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2)c(O)c1O ZINC001557896993 1415149955 /nfs/dbraw/zinc/14/99/55/1415149955.db2.gz RKYUQLYNJSVFPU-QGZVFWFLSA-N 0 0 349.390 2.917 10 10 EFCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1cccc(O)c1O ZINC001558162160 1415163122 /nfs/dbraw/zinc/16/31/22/1415163122.db2.gz WGSIOMKGUXBSGK-LBPRGKRZSA-N 0 0 337.379 2.536 10 10 EFCERN Cc1oc(-c2ccco2)nc1CC(=O)NCc1cccc(O)c1O ZINC001558160273 1415163364 /nfs/dbraw/zinc/16/33/64/1415163364.db2.gz VNCJAJQPWLECSN-UHFFFAOYSA-N 0 0 328.324 2.513 10 10 EFCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1cccc(O)c1O ZINC001558162159 1415163475 /nfs/dbraw/zinc/16/34/75/1415163475.db2.gz WGSIOMKGUXBSGK-GFCCVEGCSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(Cc1cccc(C(F)(F)F)c1)NCc1cc(O)ccc1O ZINC001558174708 1415164129 /nfs/dbraw/zinc/16/41/29/1415164129.db2.gz SKUORIHBPACLTQ-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN CN(C)c1cc(C(=O)NCc2cc(O)ccc2O)nc2ccccc21 ZINC001558175586 1415164629 /nfs/dbraw/zinc/16/46/29/1415164629.db2.gz WRKUWRZDDIIHIQ-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN Cc1ccc(Br)nc1C(=O)NCc1c(O)cccc1F ZINC001558454486 1415180500 /nfs/dbraw/zinc/18/05/00/1415180500.db2.gz HNSXKOGGXBNVDU-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN O=C(Cc1cccnc1Br)NCc1c(O)cccc1F ZINC001558455511 1415180759 /nfs/dbraw/zinc/18/07/59/1415180759.db2.gz VUJJWDAUKCKJMJ-UHFFFAOYSA-N 0 0 339.164 2.548 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558533877 1415186901 /nfs/dbraw/zinc/18/69/01/1415186901.db2.gz MFAYYBWPCKMZPW-SMDDNHRTSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1cc(-n2cncn2)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001558756759 1415199471 /nfs/dbraw/zinc/19/94/71/1415199471.db2.gz AFYAOEQMVFXSPR-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN COC(=O)c1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)o1 ZINC001558757986 1415199520 /nfs/dbraw/zinc/19/95/20/1415199520.db2.gz ZGPITYLNDLBASL-VURMDHGXSA-N 0 0 335.743 2.755 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3ccncn3)C2)cc1OC ZINC001559076080 1415223009 /nfs/dbraw/zinc/22/30/09/1415223009.db2.gz IWMYGJQWZGGTHN-GFCCVEGCSA-N 0 0 344.371 2.786 10 10 EFCERN c1nn(Cc2ccncc2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC001560309683 1415274828 /nfs/dbraw/zinc/27/48/28/1415274828.db2.gz OTSXLPYRZAWNHH-UHFFFAOYSA-N 0 0 349.438 2.775 10 10 EFCERN C[C@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564555117 1415379448 /nfs/dbraw/zinc/37/94/48/1415379448.db2.gz MHBSASBSRSLVGE-MAUKXSAKSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H]2COc3cccc(C)c3C2)c1 ZINC001565116272 1415390214 /nfs/dbraw/zinc/39/02/14/1415390214.db2.gz BJYWZJXOUFKGBO-OAHLLOKOSA-N 0 0 326.396 2.812 10 10 EFCERN COc1cccc(CNC(=O)NCc2cccc3[nH]ccc32)c1O ZINC001565257293 1415392281 /nfs/dbraw/zinc/39/22/81/1415392281.db2.gz TXQDDTXBKAIBBV-UHFFFAOYSA-N 0 0 325.368 2.882 10 10 EFCERN CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)c2cccnc21 ZINC001566141840 1415531789 /nfs/dbraw/zinc/53/17/89/1415531789.db2.gz HWHPWAZIWMUPQF-UHFFFAOYSA-N 0 0 341.392 2.804 10 10 EFCERN CO[C@@H](C)c1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001566205243 1415535004 /nfs/dbraw/zinc/53/50/04/1415535004.db2.gz CRLIDKHMIWOTLC-VIFPVBQESA-N 0 0 347.400 2.943 10 10 EFCERN CO[C@H](C)c1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001566205242 1415535161 /nfs/dbraw/zinc/53/51/61/1415535161.db2.gz CRLIDKHMIWOTLC-SECBINFHSA-N 0 0 347.400 2.943 10 10 EFCERN Cc1nc(Br)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC001566358741 1415542924 /nfs/dbraw/zinc/54/29/24/1415542924.db2.gz LDNQEFYUAHUJEQ-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ncoc1CCC(F)(F)F ZINC001566358795 1415543101 /nfs/dbraw/zinc/54/31/01/1415543101.db2.gz MXZCXZFFGFOLHU-UHFFFAOYSA-N 0 0 330.262 2.511 10 10 EFCERN O=C(NCc1ccccc1O)C(=O)c1ccc(Br)s1 ZINC001566373697 1415543487 /nfs/dbraw/zinc/54/34/87/1415543487.db2.gz AMYYLUYTZMWYBI-UHFFFAOYSA-N 0 0 340.198 2.715 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)c1O ZINC001566374071 1415544167 /nfs/dbraw/zinc/54/41/67/1415544167.db2.gz SGHVSEVLDNXGNX-UHFFFAOYSA-N 0 0 346.408 2.741 10 10 EFCERN COc1cccc(CNC(=O)c2c(F)cccc2-n2cccn2)c1O ZINC001566374047 1415544393 /nfs/dbraw/zinc/54/43/93/1415544393.db2.gz RMPNFMAXWHLHNZ-UHFFFAOYSA-N 0 0 341.342 2.656 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001567034311 1415908166 /nfs/dbraw/zinc/90/81/66/1415908166.db2.gz AJORBZLBPGQKNE-WMZOPIPTSA-N 0 0 342.439 2.530 10 10 EFCERN Cc1cc(CC(=O)N2CC(O)(C(C)C)C2)c(C)n1-c1ccccc1 ZINC001567554691 1416185399 /nfs/dbraw/zinc/18/53/99/1416185399.db2.gz IKLFLXHBSSQNJG-UHFFFAOYSA-N 0 0 326.440 2.866 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2nccn2-c2ccccc2)cc1 ZINC001568173259 1416433065 /nfs/dbraw/zinc/43/30/65/1416433065.db2.gz MMBCWHQTKMNYRC-UHFFFAOYSA-N 0 0 348.366 2.965 10 10 EFCERN COC[C@H]1CCCN1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001645854324 1416574855 /nfs/dbraw/zinc/57/48/55/1416574855.db2.gz HAFBYEWARQSUGI-LJQANCHMSA-N 0 0 341.455 2.779 10 10 EFCERN CCN1CCC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1=O ZINC001646133203 1416617853 /nfs/dbraw/zinc/61/78/53/1416617853.db2.gz RQFKIQDZSWCBFM-CQSZACIVSA-N 0 0 345.468 2.896 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC001683254104 1416679531 /nfs/dbraw/zinc/67/95/31/1416679531.db2.gz MWVJXQOKLGKCBF-NBQZKYEYSA-N 0 0 345.487 2.859 10 10 EFCERN CCC[C@@H](CCO)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001683424542 1416680886 /nfs/dbraw/zinc/68/08/86/1416680886.db2.gz FDLBEFLCIGFIOI-WBVHZDCISA-N 0 0 335.492 2.842 10 10 EFCERN C[C@H](COc1c(F)cccc1F)NC(=O)NCc1ccccc1O ZINC001683923684 1416688388 /nfs/dbraw/zinc/68/83/88/1416688388.db2.gz WRSQQMVNLIJKFK-LLVKDONJSA-N 0 0 336.338 2.937 10 10 EFCERN Cc1cc(CNC(=O)N(C)[C@H](C)CO)c(C)n1-c1cccc(C)c1 ZINC001684599503 1416723640 /nfs/dbraw/zinc/72/36/40/1416723640.db2.gz BJXVMMVXQCPOJS-OAHLLOKOSA-N 0 0 329.444 2.925 10 10 EFCERN O=C(NCc1nc(-c2ccncc2)cs1)NCc1ccccc1O ZINC001685012236 1416739692 /nfs/dbraw/zinc/73/96/92/1416739692.db2.gz JEIBSAFVBBXHMZ-UHFFFAOYSA-N 0 0 340.408 2.910 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC(C)(C)CO2)cc1 ZINC001685098662 1416742869 /nfs/dbraw/zinc/74/28/69/1416742869.db2.gz OZMOEZUTYGCEAM-QGZVFWFLSA-N 0 0 349.475 2.588 10 10 EFCERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001685240079 1416754678 /nfs/dbraw/zinc/75/46/78/1416754678.db2.gz WFEMXXVJENXSEJ-SNVBAGLBSA-N 0 0 333.319 3.000 10 10 EFCERN CCC(CC)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001686896203 1416813635 /nfs/dbraw/zinc/81/36/35/1416813635.db2.gz UQJCZVHKNWSMFC-UHFFFAOYSA-N 0 0 347.419 2.521 10 10 EFCERN CCOC(C)(C)Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001710393701 1418248634 /nfs/dbraw/zinc/24/86/34/1418248634.db2.gz RIHICCPRWWCQLO-UHFFFAOYSA-N 0 0 332.448 2.998 10 10 EFCERN COC[C@@H](F)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001712165363 1418273032 /nfs/dbraw/zinc/27/30/32/1418273032.db2.gz ZDUHXFUGBFHQAU-AWEZNQCLSA-N 0 0 336.411 2.728 10 10 EFCERN Cc1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001724235067 1424708967 /nfs/dbraw/zinc/70/89/67/1424708967.db2.gz GWRINOZBRKTCCT-UHFFFAOYSA-N 0 0 343.475 2.624 10 10 EFCERN CC[C@H](C)[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC ZINC001726851295 1426294720 /nfs/dbraw/zinc/29/47/20/1426294720.db2.gz RDIHOEHIYHEBKO-SUMWQHHRSA-N 0 0 332.448 2.990 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCC1CCOCC1 ZINC001727508507 1426301577 /nfs/dbraw/zinc/30/15/77/1426301577.db2.gz JRRAAOZBUCZZGY-UHFFFAOYSA-N 0 0 344.459 2.999 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H](O)C1 ZINC001727508107 1426301671 /nfs/dbraw/zinc/30/16/71/1426301671.db2.gz AISKUWVDLORSRK-HOCLYGCPSA-N 0 0 344.459 2.734 10 10 EFCERN CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001728272268 1426314026 /nfs/dbraw/zinc/31/40/26/1426314026.db2.gz BIXIXLPOWDIVET-UHFFFAOYSA-N 0 0 342.422 2.983 10 10 EFCERN COc1cc(CN2CCN(Cc3cnc(C)s3)CC2)c(O)cc1C ZINC000160171830 712909592 /nfs/dbraw/zinc/90/95/92/712909592.db2.gz RFCFBUYKNHMQSZ-UHFFFAOYSA-N 0 0 347.484 2.792 10 10 EFCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)C2CCC(C)CC2)c1 ZINC000866842214 712911503 /nfs/dbraw/zinc/91/15/03/712911503.db2.gz UUVOGPKRTWENPY-LXVYMNJGSA-N 0 0 327.446 2.960 10 10 EFCERN C[C@H](OCC1CC1)C(=O)NCc1cc(Br)ccc1O ZINC000804735416 713455284 /nfs/dbraw/zinc/45/52/84/713455284.db2.gz XVYWIRNSCAIAMF-VIFPVBQESA-N 0 0 328.206 2.586 10 10 EFCERN O=C(CC[C@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000804732846 713454554 /nfs/dbraw/zinc/45/45/54/713454554.db2.gz DLTXUSVSNCGEJH-JTQLQIEISA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1conc1C1CC1 ZINC000804733178 713454763 /nfs/dbraw/zinc/45/47/63/713454763.db2.gz LBYJQHBMXOXCRF-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN O=C(CCC1CCOCC1)NCc1cc(Br)ccc1O ZINC000804735530 713455200 /nfs/dbraw/zinc/45/52/00/713455200.db2.gz CRPZAIMXKASQSV-UHFFFAOYSA-N 0 0 342.233 2.978 10 10 EFCERN O=C(CCOCC1CC1)NCc1cc(Br)ccc1O ZINC000804735511 713455242 /nfs/dbraw/zinc/45/52/42/713455242.db2.gz BXXNBCYLFMOHRY-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc2c[nH]nc21 ZINC000804736032 713455413 /nfs/dbraw/zinc/45/54/13/713455413.db2.gz KRKCLVBPTFNSIX-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cncc(F)c1 ZINC000804735659 713455493 /nfs/dbraw/zinc/45/54/93/713455493.db2.gz CKOPNJDSKVNBIW-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1CCC(=O)CC1 ZINC000804734619 713455586 /nfs/dbraw/zinc/45/55/86/713455586.db2.gz TURSFYIAJOFMBY-UHFFFAOYSA-N 0 0 326.190 2.530 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CC1(Cl)Cl ZINC000804734710 713455638 /nfs/dbraw/zinc/45/56/38/713455638.db2.gz WVGSQFFCVDBKBU-MRVPVSSYSA-N 0 0 339.016 2.965 10 10 EFCERN O=C(C[C@H]1CCCCO1)NCc1cc(Br)ccc1O ZINC000804734571 713455730 /nfs/dbraw/zinc/45/57/30/713455730.db2.gz REJRUYQKBPQEDQ-GFCCVEGCSA-N 0 0 328.206 2.730 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cc(C2CC2)no1 ZINC000804737776 713456113 /nfs/dbraw/zinc/45/61/13/713456113.db2.gz QAVOYRMKFWSVKM-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN O=C(/C=C\C1CCOCC1)NCc1cc(Br)ccc1O ZINC000804739327 713456316 /nfs/dbraw/zinc/45/63/16/713456316.db2.gz WEVNEJKYLFZLIT-RJRFIUFISA-N 0 0 340.217 2.754 10 10 EFCERN Cc1ncc(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000804739727 713456711 /nfs/dbraw/zinc/45/67/11/713456711.db2.gz QJCWUMHDYGUFPS-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1cccnc1 ZINC000804738365 713456731 /nfs/dbraw/zinc/45/67/31/713456731.db2.gz NOBASYVXKBTSSZ-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN CC[C@@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804740448 713456919 /nfs/dbraw/zinc/45/69/19/713456919.db2.gz HHXIIJZGYICVHF-YPMHNXCESA-N 0 0 328.206 2.729 10 10 EFCERN O=C(C[C@@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000804740657 713457002 /nfs/dbraw/zinc/45/70/02/713457002.db2.gz KHSRTBNZFTZIBY-JTQLQIEISA-N 0 0 328.206 2.588 10 10 EFCERN Oc1ccc(Br)cc1CNc1cc(-n2ccnc2)ncn1 ZINC000804828773 713489016 /nfs/dbraw/zinc/48/90/16/713489016.db2.gz ZUTIGTKSMSPIMS-UHFFFAOYSA-N 0 0 346.188 2.743 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCOCC(F)(F)F ZINC000029102483 713497027 /nfs/dbraw/zinc/49/70/27/713497027.db2.gz SYBGBZFJVMOZNW-UHFFFAOYSA-N 0 0 341.289 2.559 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NCCCC2CC2)cc1F ZINC000804853308 714016256 /nfs/dbraw/zinc/01/62/56/714016256.db2.gz WPJFIKDSFVPWLR-UHFFFAOYSA-N 0 0 349.450 2.595 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1CCCCO1 ZINC000134134354 714032743 /nfs/dbraw/zinc/03/27/43/714032743.db2.gz ZEUDPWSODLCHKB-CQSZACIVSA-N 0 0 327.384 2.892 10 10 EFCERN O=C(NCCc1ccco1)NCc1cc(Br)ccc1O ZINC000804860232 714226989 /nfs/dbraw/zinc/22/69/89/714226989.db2.gz JFVIQNVRWQHLJQ-UHFFFAOYSA-N 0 0 339.189 2.790 10 10 EFCERN COCc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000177278859 717970726 /nfs/dbraw/zinc/97/07/26/717970726.db2.gz PJPLCEWOBTYKJG-UHFFFAOYSA-N 0 0 348.374 2.536 10 10 EFCERN CCc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000160687098 714416148 /nfs/dbraw/zinc/41/61/48/714416148.db2.gz NBRUHPKTONWWPF-UHFFFAOYSA-N 0 0 338.451 2.945 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000175978733 714459892 /nfs/dbraw/zinc/45/98/92/714459892.db2.gz CXPDCWNSZCHUIV-FUHWJXTLSA-N 0 0 333.476 2.883 10 10 EFCERN COc1ccc(N2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000068678577 714532109 /nfs/dbraw/zinc/53/21/09/714532109.db2.gz HQRBWCSKZDXZJU-QFBILLFUSA-N 0 0 345.487 2.512 10 10 EFCERN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000096822591 714656553 /nfs/dbraw/zinc/65/65/53/714656553.db2.gz BOSMTSXVDDBWDM-VGOFMYFVSA-N 0 0 343.379 2.744 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000089880911 715057058 /nfs/dbraw/zinc/05/70/58/715057058.db2.gz RSTPRAVFEKCMGO-GFCCVEGCSA-N 0 0 343.383 2.712 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cnc(-c2ccncc2)s1 ZINC000179091619 724418200 /nfs/dbraw/zinc/41/82/00/724418200.db2.gz NAVHZCSIAPEMRP-UHFFFAOYSA-N 0 0 341.392 2.589 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(C)C ZINC000178678901 715837980 /nfs/dbraw/zinc/83/79/80/715837980.db2.gz OCXYEYUJDCQQNY-KRWDZBQOSA-N 0 0 345.418 2.734 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000724993167 716628687 /nfs/dbraw/zinc/62/86/87/716628687.db2.gz PCMTYEFILAJYAK-NSHDSACASA-N 0 0 328.359 2.769 10 10 EFCERN C[C@@H](NC(=O)N1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000065698394 716988872 /nfs/dbraw/zinc/98/88/72/716988872.db2.gz JHNSEGFSGCGKJK-OAHLLOKOSA-N 0 0 349.500 2.733 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cc(F)cc(F)c1 ZINC000181121386 718403657 /nfs/dbraw/zinc/40/36/57/718403657.db2.gz APULNBLZNMAVOX-UHFFFAOYSA-N 0 0 347.365 2.868 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)=O)c(O)c1 ZINC000935945619 718750934 /nfs/dbraw/zinc/75/09/34/718750934.db2.gz DOLMLCKSEHFJFW-UHFFFAOYSA-N 0 0 334.368 2.716 10 10 EFCERN COC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)C[C@@H](C)O1 ZINC000784669278 719391236 /nfs/dbraw/zinc/39/12/36/719391236.db2.gz ZGMPFHHJLUBJFQ-YPMHNXCESA-N 0 0 344.249 2.699 10 10 EFCERN O=C(N[C@H](CO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897329673 724585906 /nfs/dbraw/zinc/58/59/06/724585906.db2.gz RWSQOMKLVFOQPN-GFCCVEGCSA-N 0 0 335.425 2.984 10 10 EFCERN CC(C)(C)OC(=O)C1(C(=O)NCc2c(O)cccc2F)CC=CC1 ZINC000928712577 724590435 /nfs/dbraw/zinc/59/04/35/724590435.db2.gz SDQVRIGOPBFSAA-UHFFFAOYSA-N 0 0 335.375 2.826 10 10 EFCERN C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925853377 719835076 /nfs/dbraw/zinc/83/50/76/719835076.db2.gz INZLQXKIAMCRIH-NOZJJQNGSA-N 0 0 333.310 2.636 10 10 EFCERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OCO2 ZINC000029539841 724633624 /nfs/dbraw/zinc/63/36/24/724633624.db2.gz CFRIPUDGKVNZTH-JTQLQIEISA-N 0 0 328.324 2.980 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCCOc1ccc(F)cc1F ZINC000181049835 720000557 /nfs/dbraw/zinc/00/05/57/720000557.db2.gz JSGQGWBHODCJTA-QHHAFSJGSA-N 0 0 335.306 2.584 10 10 EFCERN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000894003547 720217730 /nfs/dbraw/zinc/21/77/30/720217730.db2.gz NJAHDBSATVATNU-CYBMUJFWSA-N 0 0 343.240 2.962 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C)ccnc1N ZINC000894015099 720227884 /nfs/dbraw/zinc/22/78/84/720227884.db2.gz YHNPHNJPHURGSK-UHFFFAOYSA-N 0 0 349.818 2.506 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2cnn3ccccc23)cc1 ZINC000183227075 720230023 /nfs/dbraw/zinc/23/00/23/720230023.db2.gz HKQCNMKYJQSNQN-UHFFFAOYSA-N 0 0 325.368 2.523 10 10 EFCERN C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCO)C1=O ZINC000222274808 720310744 /nfs/dbraw/zinc/31/07/44/720310744.db2.gz SNBNMNKXZNZUNT-GMROUXNLSA-N 0 0 333.434 2.587 10 10 EFCERN CCC1(CC)CN(Cc2cc(OC)c(OC)cc2O)CC[S@@]1=O ZINC000187563524 720512361 /nfs/dbraw/zinc/51/23/61/720512361.db2.gz UNECYKUINZIGSO-QHCPKHFHSA-N 0 0 341.473 2.533 10 10 EFCERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(C)C ZINC000178699788 720540414 /nfs/dbraw/zinc/54/04/14/720540414.db2.gz QMVMEECFRFZXCQ-GOSISDBHSA-N 0 0 341.455 2.903 10 10 EFCERN COc1cc(C)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000894167838 721061673 /nfs/dbraw/zinc/06/16/73/721061673.db2.gz TYQYCCPQWRGEJC-CYBMUJFWSA-N 0 0 330.432 2.878 10 10 EFCERN COc1ccc2[nH]c(C(=O)NCc3cc(OC)ccc3O)cc2c1 ZINC000188450302 721811606 /nfs/dbraw/zinc/81/16/06/721811606.db2.gz KFHPKKBFPDHUCY-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN CCN(CCC(N)=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000928826410 724821138 /nfs/dbraw/zinc/82/11/38/724821138.db2.gz SIQKADIQBBKJNI-UHFFFAOYSA-N 0 0 331.391 2.571 10 10 EFCERN COc1cc(N2CCN(Cc3cc(C)co3)CC2)cc(OC)c1OC ZINC000894460974 722745794 /nfs/dbraw/zinc/74/57/94/722745794.db2.gz CHJQDVCNOCEMJF-UHFFFAOYSA-N 0 0 346.427 2.936 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2cncc(O)c2)cc1F ZINC000917616801 728766379 /nfs/dbraw/zinc/76/63/79/728766379.db2.gz DDTBLJOCLNIAQG-UHFFFAOYSA-N 0 0 346.406 2.772 10 10 EFCERN CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596855 722793490 /nfs/dbraw/zinc/79/34/90/722793490.db2.gz FDARZNZTUXRIHY-DHZHZOJOSA-N 0 0 343.471 2.607 10 10 EFCERN CC(=O)c1c(F)cncc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000894612468 722796456 /nfs/dbraw/zinc/79/64/56/722796456.db2.gz JAJAACBQDISYHI-UHFFFAOYSA-N 0 0 343.402 2.997 10 10 EFCERN CC(C)(CC(F)F)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925077246 722803722 /nfs/dbraw/zinc/80/37/22/722803722.db2.gz UKKLJWWRKXLIBT-UHFFFAOYSA-N 0 0 326.343 2.838 10 10 EFCERN COC(=O)c1c(CN2CC(OC(F)F)C2)c2cc(F)ccc2n1C ZINC000894979601 723042607 /nfs/dbraw/zinc/04/26/07/723042607.db2.gz UUGNOKSMIAMRNL-UHFFFAOYSA-N 0 0 342.317 2.527 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)cc1F ZINC000895979982 723081573 /nfs/dbraw/zinc/08/15/73/723081573.db2.gz CKXOSXYEUCQDBV-AWEZNQCLSA-N 0 0 349.450 2.545 10 10 EFCERN CN(CC(=O)OC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896041969 723110072 /nfs/dbraw/zinc/11/00/72/723110072.db2.gz CYKRYPHCESBBHG-UHFFFAOYSA-N 0 0 337.397 2.726 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1C1OCCO1 ZINC000896065559 723117420 /nfs/dbraw/zinc/11/74/20/723117420.db2.gz NFBIGXVSGSUNKH-LLVKDONJSA-N 0 0 349.408 2.680 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000896402696 723287280 /nfs/dbraw/zinc/28/72/80/723287280.db2.gz RHZGQJDQLQRLRD-QGZVFWFLSA-N 0 0 345.487 2.714 10 10 EFCERN CC(C)[C@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896506358 723330585 /nfs/dbraw/zinc/33/05/85/723330585.db2.gz NBZWVLYBRIEWCY-GFCCVEGCSA-N 0 0 334.441 2.725 10 10 EFCERN C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC000154627571 728829085 /nfs/dbraw/zinc/82/90/85/728829085.db2.gz XXVPQBVOMVZSAP-APPDUMDISA-N 0 0 335.359 2.968 10 10 EFCERN CN(C)c1ccc(/C=C\C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000214679192 723523556 /nfs/dbraw/zinc/52/35/56/723523556.db2.gz UOMQCLXESLTHOA-XFXZXTDPSA-N 0 0 344.436 2.808 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(F)ncc3C)CC2)cc1F ZINC000896898641 723789291 /nfs/dbraw/zinc/78/92/91/723789291.db2.gz LMBNICJZXPHYEB-UHFFFAOYSA-N 0 0 347.365 2.639 10 10 EFCERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000896983470 723932938 /nfs/dbraw/zinc/93/29/38/723932938.db2.gz RLUOUIUZXLVWMO-MISXGVKJSA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918335428 728865012 /nfs/dbraw/zinc/86/50/12/728865012.db2.gz XBMGAIYWMQLQHH-ZDUSSCGKSA-N 0 0 332.425 2.791 10 10 EFCERN O=C(N[C@H]1CCCc2c[nH]nc21)c1cc2cc(O)c(O)cc2s1 ZINC000897029560 723951441 /nfs/dbraw/zinc/95/14/41/723951441.db2.gz ANUIUQQBNATZOU-JTQLQIEISA-N 0 0 329.381 2.843 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)[nH]n1 ZINC000897055149 723970175 /nfs/dbraw/zinc/97/01/75/723970175.db2.gz NRFBZLMKBSCDNX-MRVPVSSYSA-N 0 0 331.397 2.705 10 10 EFCERN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000895351829 724062982 /nfs/dbraw/zinc/06/29/82/724062982.db2.gz YPIOMEYSHBZQDF-PWSUYJOCSA-N 0 0 346.196 2.725 10 10 EFCERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897195838 724076437 /nfs/dbraw/zinc/07/64/37/724076437.db2.gz SXJZEAIZBHUPKM-GTTSAUCSSA-N 0 0 345.420 3.000 10 10 EFCERN COCc1ncc2c(n1)CCN(Cc1cc(F)c(N(C)C)cc1F)C2 ZINC000895416746 724125114 /nfs/dbraw/zinc/12/51/14/724125114.db2.gz BMPOWPDVYAUYIS-UHFFFAOYSA-N 0 0 348.397 2.526 10 10 EFCERN Cc1cc(C)n(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000895540319 724188824 /nfs/dbraw/zinc/18/88/24/724188824.db2.gz CKDPPGIGOPUDCA-UHFFFAOYSA-N 0 0 345.424 2.946 10 10 EFCERN COc1cccc(CN2CCn3cnc(C(F)(F)F)c3C2)c1O ZINC000895562280 724196207 /nfs/dbraw/zinc/19/62/07/724196207.db2.gz NEPPYUYUNDHNMY-UHFFFAOYSA-N 0 0 327.306 2.632 10 10 EFCERN COc1cccc(O)c1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562787 724196716 /nfs/dbraw/zinc/19/67/16/724196716.db2.gz UYGQHFVKSYVLHM-UHFFFAOYSA-N 0 0 327.306 2.632 10 10 EFCERN COC(=O)[C@H](CC1CCOCC1)NCc1c([O-])ccc(Cl)c1F ZINC000895588179 724209109 /nfs/dbraw/zinc/20/91/09/724209109.db2.gz AWGABJHJPFHZAL-ZDUSSCGKSA-N 0 0 345.798 2.633 10 10 EFCERN Cn1ncc2c1CCC[C@H]2NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895670694 724252541 /nfs/dbraw/zinc/25/25/41/724252541.db2.gz OUQXOGRLGVEFPL-LLVKDONJSA-N 0 0 343.408 2.853 10 10 EFCERN O=C(NC[C@H]1COC2(CCCC2)O1)c1cc2cc(O)c(O)cc2s1 ZINC000897304470 724319080 /nfs/dbraw/zinc/31/90/80/724319080.db2.gz LFKQKSMPQSIKBA-NSHDSACASA-N 0 0 349.408 2.728 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000797903206 724877063 /nfs/dbraw/zinc/87/70/63/724877063.db2.gz PVLBLBPRDCYXRV-LJQANCHMSA-N 0 0 346.290 2.854 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCCN(c2ccccc2)C1 ZINC000918947702 728945308 /nfs/dbraw/zinc/94/53/08/728945308.db2.gz QKGAEUUADQFZQE-AWEZNQCLSA-N 0 0 343.402 3.000 10 10 EFCERN Cc1cc(Cl)cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000800535068 725471921 /nfs/dbraw/zinc/47/19/21/725471921.db2.gz ZEDROSXCBAEQCT-CQSZACIVSA-N 0 0 331.865 2.753 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C2(n3cccn3)CC2)cc1 ZINC000929537631 725545803 /nfs/dbraw/zinc/54/58/03/725545803.db2.gz QQMXVQPUSQSPOU-UHFFFAOYSA-N 0 0 326.444 2.877 10 10 EFCERN Cc1cc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000913595710 725613407 /nfs/dbraw/zinc/61/34/07/725613407.db2.gz XHZKQGOBANOBGM-LBPRGKRZSA-N 0 0 335.411 2.972 10 10 EFCERN CCc1cc(CN2CCS(=O)(=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000151582749 725783164 /nfs/dbraw/zinc/78/31/64/725783164.db2.gz WARDHBAVSOTJCG-CYBMUJFWSA-N 0 0 339.501 2.871 10 10 EFCERN COC(=O)C[C@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000913729519 725836026 /nfs/dbraw/zinc/83/60/26/725836026.db2.gz QWYIOHCWCGVFCM-KRWDZBQOSA-N 0 0 349.408 2.774 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000913927113 725953310 /nfs/dbraw/zinc/95/33/10/725953310.db2.gz VGKLONPYKCQLSL-AEFFLSMTSA-N 0 0 331.460 2.757 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(O)(C3CCC3)CC2)cc1 ZINC000913926956 725953429 /nfs/dbraw/zinc/95/34/29/725953429.db2.gz QSCMOTQUOVCANM-UHFFFAOYSA-N 0 0 331.460 2.589 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(F)CC1 ZINC000913951535 725965570 /nfs/dbraw/zinc/96/55/70/725965570.db2.gz XBTCMQIHUUZTAG-UHFFFAOYSA-N 0 0 328.453 2.795 10 10 EFCERN CN1CCCc2cc(CNS(=O)(=O)CCCC(C)(F)F)ccc21 ZINC000914014892 725984456 /nfs/dbraw/zinc/98/44/56/725984456.db2.gz PWGYMYPCJGLGBJ-UHFFFAOYSA-N 0 0 346.443 2.924 10 10 EFCERN CC(F)(F)CCCS(=O)(=O)NCCCSc1nccs1 ZINC000914105993 726046292 /nfs/dbraw/zinc/04/62/92/726046292.db2.gz UGXMLTGMWGRBHS-UHFFFAOYSA-N 0 0 344.474 2.980 10 10 EFCERN C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000914200659 726164306 /nfs/dbraw/zinc/16/43/06/726164306.db2.gz NDFHALKPMLPDKT-HNNXBMFYSA-N 0 0 349.500 2.560 10 10 EFCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729259598 726197962 /nfs/dbraw/zinc/19/79/62/726197962.db2.gz QBDBACVQJCSKNI-KRWDZBQOSA-N 0 0 341.455 2.934 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(O)(C(F)F)CC1 ZINC000897455347 726215770 /nfs/dbraw/zinc/21/57/70/726215770.db2.gz NUSPDGCKMFHERY-UHFFFAOYSA-N 0 0 343.351 2.545 10 10 EFCERN C[C@H](NS(=O)(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000914392342 726277692 /nfs/dbraw/zinc/27/76/92/726277692.db2.gz YSRBQVSHYCAOHQ-ZDUSSCGKSA-N 0 0 348.472 2.714 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC000906993816 726841923 /nfs/dbraw/zinc/84/19/23/726841923.db2.gz JNLWNJWOSWDPBT-SFHVURJKSA-N 0 0 339.395 2.719 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000907274377 726900345 /nfs/dbraw/zinc/90/03/45/726900345.db2.gz PSYPSCBGGKDYNE-XCLFUZPHSA-N 0 0 341.407 2.633 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000907276065 726900716 /nfs/dbraw/zinc/90/07/16/726900716.db2.gz YZBZPYVFPAFTOC-HIFRSBDPSA-N 0 0 333.428 2.884 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(O)(C3CCC3)CC2)cc1F ZINC000915365749 726963842 /nfs/dbraw/zinc/96/38/42/726963842.db2.gz IJKDLVCVRJLEQF-UHFFFAOYSA-N 0 0 349.450 2.728 10 10 EFCERN O=C(NCc1ccccc1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732258263 727014819 /nfs/dbraw/zinc/01/48/19/727014819.db2.gz PIKALWHVUGJPDL-UHFFFAOYSA-N 0 0 344.436 2.622 10 10 EFCERN COc1cccc(N2CC[C@H](CNC(=O)C3=CC(=O)CS3)C2)c1 ZINC000732283197 727016008 /nfs/dbraw/zinc/01/60/08/727016008.db2.gz RVRJMKQNOFIBFZ-GFCCVEGCSA-N 0 0 332.425 2.719 10 10 EFCERN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccccc1O ZINC000915525008 727087049 /nfs/dbraw/zinc/08/70/49/727087049.db2.gz KVSNYHCMGUFHQA-AAEUAGOBSA-N 0 0 332.322 2.691 10 10 EFCERN COc1cccc(CNC(=O)NCCCc2cccc(F)c2)c1O ZINC000174819245 727401880 /nfs/dbraw/zinc/40/18/80/727401880.db2.gz WBZGKYPHTJKYQG-UHFFFAOYSA-N 0 0 332.375 2.972 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc([C@H]2CCCOC2)cc1 ZINC000910950229 727472648 /nfs/dbraw/zinc/47/26/48/727472648.db2.gz STDCBXZZHUDHSH-INIZCTEOSA-N 0 0 327.380 2.922 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952231 727472749 /nfs/dbraw/zinc/47/27/49/727472749.db2.gz UCFCREDLNUDVCS-BDJLRTHQSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000910955447 727472897 /nfs/dbraw/zinc/47/28/97/727472897.db2.gz FHZAASJTAPUKCJ-AEFFLSMTSA-N 0 0 327.380 2.504 10 10 EFCERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccc(O)cc1O ZINC000910957154 727472973 /nfs/dbraw/zinc/47/29/73/727472973.db2.gz KNZSAAGWVVOPQH-SNVBAGLBSA-N 0 0 331.393 2.611 10 10 EFCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1ccc(O)cc1O ZINC000910943305 727475018 /nfs/dbraw/zinc/47/50/18/727475018.db2.gz MQLAWBXWSYHESH-GFCCVEGCSA-N 0 0 335.791 2.653 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000911312357 727527183 /nfs/dbraw/zinc/52/71/83/727527183.db2.gz ZCIVVVUMQRGBBU-HOTGVXAUSA-N 0 0 331.412 2.720 10 10 EFCERN Cc1ncccc1/C=C\C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911682507 727581654 /nfs/dbraw/zinc/58/16/54/727581654.db2.gz ALOWQTPTCZRKRC-WBTMPAOCSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ncc(/C=C/C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)s1 ZINC000911696683 727584688 /nfs/dbraw/zinc/58/46/88/727584688.db2.gz QEXQWKMMORCTNQ-FYJFLYSWSA-N 0 0 332.400 2.802 10 10 EFCERN C/C=C/[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912108747 727655134 /nfs/dbraw/zinc/65/51/34/727655134.db2.gz DBWVCSIJPUKTMK-ISZGNANSSA-N 0 0 330.350 2.581 10 10 EFCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H](O)C2CCC2)cc1 ZINC000912111685 727655483 /nfs/dbraw/zinc/65/54/83/727655483.db2.gz WTDULEBPAVSJIL-OAHLLOKOSA-N 0 0 344.377 2.805 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000912180766 727670184 /nfs/dbraw/zinc/67/01/84/727670184.db2.gz QBXJDKJJYVJSAR-IRXDYDNUSA-N 0 0 341.407 2.696 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000912180764 727670313 /nfs/dbraw/zinc/67/03/13/727670313.db2.gz QBXJDKJJYVJSAR-IAGOWNOFSA-N 0 0 341.407 2.696 10 10 EFCERN C[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1CCO ZINC000912411969 727703393 /nfs/dbraw/zinc/70/33/93/727703393.db2.gz WNLSJBGNKMQKOS-ZYHUDNBSSA-N 0 0 335.425 2.936 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccco1 ZINC000209851721 727727459 /nfs/dbraw/zinc/72/74/59/727727459.db2.gz HGGLXPIYRHIJRB-HJWRWDBZSA-N 0 0 326.396 2.788 10 10 EFCERN CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC000029570409 727819540 /nfs/dbraw/zinc/81/95/40/727819540.db2.gz LVLDAVSFKOKDAR-ONOODXEBSA-N 0 0 330.428 2.568 10 10 EFCERN O=C1N=C(N2CCCCC2)S/C1=C\c1cc2ccccc2[nH]c1=O ZINC000045111568 727973593 /nfs/dbraw/zinc/97/35/93/727973593.db2.gz WAYJYWCPKXZYOH-PTNGSMBKSA-N 0 0 339.420 2.984 10 10 EFCERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000057150261 728071138 /nfs/dbraw/zinc/07/11/38/728071138.db2.gz CUQQXUIAIZKGEP-SFHVURJKSA-N 0 0 343.471 2.550 10 10 EFCERN CCc1cnccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182496914 728190532 /nfs/dbraw/zinc/19/05/32/728190532.db2.gz TXHIMNUXXWLMSN-UHFFFAOYSA-N 0 0 325.412 2.615 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cnc(-c2ccncc2)s1 ZINC000182529245 728209688 /nfs/dbraw/zinc/20/96/88/728209688.db2.gz RKRFRNWKFSGWHT-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN CN1C(=O)C(=Cc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N(C)C1=O ZINC000171157375 728519960 /nfs/dbraw/zinc/51/99/60/728519960.db2.gz ARDFLOSFTKUKKJ-UHFFFAOYSA-N 0 0 346.692 2.793 10 10 EFCERN CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000172376874 728584400 /nfs/dbraw/zinc/58/44/00/728584400.db2.gz GXCNDFBMQINHFW-CQSZACIVSA-N 0 0 337.439 2.754 10 10 EFCERN CC(C)[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000172507452 728593988 /nfs/dbraw/zinc/59/39/88/728593988.db2.gz YSTUBBCUNQGSEK-INIZCTEOSA-N 0 0 333.476 2.957 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000173580665 728629901 /nfs/dbraw/zinc/62/99/01/728629901.db2.gz LXPCCAQSCUAAMB-UHFFFAOYSA-N 0 0 341.392 2.849 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1c1ccnn1C ZINC000919081335 728969400 /nfs/dbraw/zinc/96/94/00/728969400.db2.gz LDTAFGOXKHWTAP-SFHVURJKSA-N 0 0 341.459 2.841 10 10 EFCERN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC000919143667 728979385 /nfs/dbraw/zinc/97/93/85/728979385.db2.gz LMXSCDMMMQKJHB-HNNXBMFYSA-N 0 0 330.363 2.507 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1nnc(C2CCC2)n1C ZINC000181524914 729028651 /nfs/dbraw/zinc/02/86/51/729028651.db2.gz TZLPCJKYJVQTHY-UHFFFAOYSA-N 0 0 327.432 2.548 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@]12C[C@H]1COC21CCC1 ZINC000919919219 729112395 /nfs/dbraw/zinc/11/23/95/729112395.db2.gz XIQIELAXAPFEQZ-OXJNMPFZSA-N 0 0 339.439 2.574 10 10 EFCERN COc1ccccc1O[C@H](C)CNC(=O)NCc1c(O)cccc1F ZINC000920736109 729225543 /nfs/dbraw/zinc/22/55/43/729225543.db2.gz QRYBCNSQPYFGMB-GFCCVEGCSA-N 0 0 348.374 2.807 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(=O)n(C)c2)cc1 ZINC000920928926 729241575 /nfs/dbraw/zinc/24/15/75/729241575.db2.gz XNHRJLIQMOZSAW-UHFFFAOYSA-N 0 0 342.443 2.895 10 10 EFCERN Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000921215004 729274070 /nfs/dbraw/zinc/27/40/70/729274070.db2.gz NWXXHFCXIGJHQB-AWEZNQCLSA-N 0 0 345.370 2.996 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@H](c1ncccn1)C1CC1 ZINC000921447644 729459821 /nfs/dbraw/zinc/45/98/21/729459821.db2.gz OXHSARFVIJYYFI-LBPRGKRZSA-N 0 0 349.485 2.866 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)c1ccc(OC2CC2)cc1 ZINC000921451988 729460860 /nfs/dbraw/zinc/46/08/60/729460860.db2.gz ZYBYYXILIRFCOY-UHFFFAOYSA-N 0 0 337.372 2.551 10 10 EFCERN O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCc1c(O)cccc1F ZINC000921451614 729460885 /nfs/dbraw/zinc/46/08/85/729460885.db2.gz SQTYCSJLGKFGDU-QMMMGPOBSA-N 0 0 342.219 2.535 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000174928175 729466317 /nfs/dbraw/zinc/46/63/17/729466317.db2.gz LZEHLCVKYJOXNX-AWEZNQCLSA-N 0 0 344.411 2.805 10 10 EFCERN COc1cccc(CNC(=O)c2sc([C@H](C)OC)nc2C)c1O ZINC000175258310 729490111 /nfs/dbraw/zinc/49/01/11/729490111.db2.gz DPZCNFUNRCLNAR-JTQLQIEISA-N 0 0 336.413 2.803 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175507001 729505901 /nfs/dbraw/zinc/50/59/01/729505901.db2.gz ICMUXOCPTBRWND-JKSUJKDBSA-N 0 0 339.391 2.926 10 10 EFCERN O=C1OC(c2ccsc2)=N/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000067952221 729587983 /nfs/dbraw/zinc/58/79/83/729587983.db2.gz ZVRLZPKJRSEGEK-LFIBNONCSA-N 0 0 340.404 2.929 10 10 EFCERN Cc1cn2c(nc(C)c2CNC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC001569543178 1085358296 /nfs/dbraw/zinc/35/82/96/1085358296.db2.gz WXGHYXKACQMQLJ-XQRVVYSFSA-N 0 0 343.408 2.753 10 10 EFCERN Cc1cc(C(=O)N2CCOCCN2)c(C)n1-c1ccc(Cl)cc1 ZINC001569594235 1085418542 /nfs/dbraw/zinc/41/85/42/1085418542.db2.gz CJDKOFFHSZREDU-UHFFFAOYSA-N 0 0 333.819 2.725 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nccc(N)n2)cc1 ZINC001569594722 1085418604 /nfs/dbraw/zinc/41/86/04/1085418604.db2.gz QXPUXIBVJYXDII-AWEZNQCLSA-N 0 0 335.411 2.957 10 10 EFCERN Cc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c(C)[nH]1 ZINC001570016611 1085863809 /nfs/dbraw/zinc/86/38/09/1085863809.db2.gz ATAYTLLVABJGMT-UHFFFAOYSA-N 0 0 332.367 2.989 10 10 EFCERN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570049175 1085903204 /nfs/dbraw/zinc/90/32/04/1085903204.db2.gz CQTYXBAECQXMHH-ZDUSSCGKSA-N 0 0 344.386 2.517 10 10 EFCERN CN(C)c1cc(C(=O)NCc2ccc(O)cc2O)nc2ccccc21 ZINC001570462489 1086256683 /nfs/dbraw/zinc/25/66/83/1086256683.db2.gz VSCIAYWZVPTITM-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(O)cc1O ZINC001570462034 1086257269 /nfs/dbraw/zinc/25/72/69/1086257269.db2.gz ATDKXZOTPHIRTC-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570475476 1086262914 /nfs/dbraw/zinc/26/29/14/1086262914.db2.gz MDLJAPUMWPQICG-OCCSQVGLSA-N 0 0 349.427 2.609 10 10 EFCERN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570475472 1086263271 /nfs/dbraw/zinc/26/32/71/1086263271.db2.gz MDLJAPUMWPQICG-GXTWGEPZSA-N 0 0 349.427 2.609 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001570515068 1086301853 /nfs/dbraw/zinc/30/18/53/1086301853.db2.gz ZQPCDORLULMDKU-HUUCEWRRSA-N 0 0 333.428 2.966 10 10 EFCERN CCc1nn(C)c(Cl)c1C(=O)NCc1ccc2cccnc2c1O ZINC001570533958 1086323329 /nfs/dbraw/zinc/32/33/29/1086323329.db2.gz YLBQGUYXBSEQHK-UHFFFAOYSA-N 0 0 344.802 2.820 10 10 EFCERN COC(=O)c1sccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570533934 1086323608 /nfs/dbraw/zinc/32/36/08/1086323608.db2.gz XIYARDJVKGORGG-UHFFFAOYSA-N 0 0 342.376 2.719 10 10 EFCERN CCOC(=O)c1ccc(NC(=O)CN(C)c2ccc(OC)cc2)cc1 ZINC001646812983 1088312722 /nfs/dbraw/zinc/31/27/22/1088312722.db2.gz JDVGAZGZVIHQJT-UHFFFAOYSA-N 0 0 342.395 2.947 10 10 EFCERN O=C(CCOc1ccc(F)cc1Cl)NCc1c(O)cccc1O ZINC001647269559 1089188527 /nfs/dbraw/zinc/18/85/27/1089188527.db2.gz IGHMMLRMHCNPSQ-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN COc1ccccc1-c1cc(C(=O)NCc2c(O)cccc2O)no1 ZINC001647270357 1089188581 /nfs/dbraw/zinc/18/85/81/1089188581.db2.gz QKOGWMYNCRFIGY-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001647290141 1089216437 /nfs/dbraw/zinc/21/64/37/1089216437.db2.gz NEKAIGUARFXDJT-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN COCCCOc1cccc(C(=O)NCc2c(O)cccc2O)c1C ZINC001647290756 1089218530 /nfs/dbraw/zinc/21/85/30/1089218530.db2.gz RCYYFGOFYLGXPU-UHFFFAOYSA-N 0 0 345.395 2.752 10 10 EFCERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001647791815 1089879908 /nfs/dbraw/zinc/87/99/08/1089879908.db2.gz VQWIERYLILCILG-KBXCAEBGSA-N 0 0 329.396 2.603 10 10 EFCERN O=C(Cn1ncc2cccnc21)NCc1c(O)ccc2ccccc21 ZINC001647790894 1089880062 /nfs/dbraw/zinc/88/00/62/1089880062.db2.gz BFIQAWTVPYIOFY-UHFFFAOYSA-N 0 0 332.363 2.607 10 10 EFCERN Cc1ccc2sc(CNC(=O)Cc3ccc(O)c(O)c3)nc2c1 ZINC001648188936 1089957061 /nfs/dbraw/zinc/95/70/61/1089957061.db2.gz RBTVLAXWXBCSOH-UHFFFAOYSA-N 0 0 328.393 2.875 10 10 EFCERN C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)CCCN4C)c2C1 ZINC001583628078 1092052021 /nfs/dbraw/zinc/05/20/21/1092052021.db2.gz RKGZYXJKYDZKOV-ZDUSSCGKSA-N 0 0 338.455 2.847 10 10 EFCERN COc1ccc(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001583704985 1092058623 /nfs/dbraw/zinc/05/86/23/1092058623.db2.gz WBEYHGRRMJAMHR-UHFFFAOYSA-N 0 0 329.396 2.743 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1csc(-c2ncccn2)n1 ZINC001583816363 1092071935 /nfs/dbraw/zinc/07/19/35/1092071935.db2.gz HCUPFLTVJZYWEF-UHFFFAOYSA-N 0 0 346.799 2.889 10 10 EFCERN CN1C(=O)CCc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001583821024 1092073212 /nfs/dbraw/zinc/07/32/12/1092073212.db2.gz REFFXPPDUFBYSB-UHFFFAOYSA-N 0 0 344.798 2.885 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(Br)c1 ZINC001583842835 1092074671 /nfs/dbraw/zinc/07/46/71/1092074671.db2.gz ILZVZLGAIQHKEY-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584190140 1092125682 /nfs/dbraw/zinc/12/56/82/1092125682.db2.gz KFMXNBCITQCBSP-UHFFFAOYSA-N 0 0 340.387 2.780 10 10 EFCERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCC2 ZINC001584615938 1092219467 /nfs/dbraw/zinc/21/94/67/1092219467.db2.gz PUDKLUSCHXLFCM-JKSUJKDBSA-N 0 0 333.428 2.883 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc3c(n2)CCCN3)cc1F ZINC001648493981 1092224207 /nfs/dbraw/zinc/22/42/07/1092224207.db2.gz QNRHHCQVCGNYFW-UHFFFAOYSA-N 0 0 328.391 2.575 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)NCc2cccc(Cl)c2O)n1 ZINC001648608564 1092239337 /nfs/dbraw/zinc/23/93/37/1092239337.db2.gz IQVIBGMLGHHLGI-UHFFFAOYSA-N 0 0 329.734 2.805 10 10 EFCERN Cc1cc(CNC(=O)c2ccnc(CO)c2)c(C)n1-c1ccccc1 ZINC001648611603 1092241003 /nfs/dbraw/zinc/24/10/03/1092241003.db2.gz IWDPSSIOSOIPME-UHFFFAOYSA-N 0 0 335.407 2.911 10 10 EFCERN COc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)cn1 ZINC001584946863 1092335060 /nfs/dbraw/zinc/33/50/60/1092335060.db2.gz KCMSXAOKEKZGFG-FSIBCCDJSA-N 0 0 347.321 2.591 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnnn2-c2ccccc2Cl)c1 ZINC001584983470 1092345915 /nfs/dbraw/zinc/34/59/15/1092345915.db2.gz LPRBVFKIFATASM-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN O=C(CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)NC1CC1 ZINC001649353207 1092420679 /nfs/dbraw/zinc/42/06/79/1092420679.db2.gz SQFUIOLBUDRGOS-UHFFFAOYSA-N 0 0 339.351 2.516 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCCO2 ZINC001167508769 1092508536 /nfs/dbraw/zinc/50/85/36/1092508536.db2.gz NTHRHNIBGPRIPW-GFCCVEGCSA-N 0 0 327.380 2.843 10 10 EFCERN CN=[S@](C)(=O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001585777034 1092570776 /nfs/dbraw/zinc/57/07/76/1092570776.db2.gz SSEBURCLJJEJAF-XMMPIXPASA-N 0 0 347.484 2.860 10 10 EFCERN COc1cccc2c1nc(NC(=O)/C=C\c1ccc(O)c(O)c1)n2C ZINC000588495286 1092584239 /nfs/dbraw/zinc/58/42/39/1092584239.db2.gz KUUVDEDILFSZHQ-CLFYSBASSA-N 0 0 339.351 2.645 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC000843606917 1092659996 /nfs/dbraw/zinc/65/99/96/1092659996.db2.gz NHSLSFDBHJCGQK-AWEZNQCLSA-N 0 0 326.444 2.565 10 10 EFCERN Cc1cccc(CONC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001586074166 1092672609 /nfs/dbraw/zinc/67/26/09/1092672609.db2.gz ITRHBEXBDCFEHL-UHFFFAOYSA-N 0 0 330.365 2.878 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C2(OC)CCCCC2)cc1 ZINC001586649860 1092748354 /nfs/dbraw/zinc/74/83/54/1092748354.db2.gz RGHJKQNZDXUBBF-UHFFFAOYSA-N 0 0 334.460 2.939 10 10 EFCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)CO1 ZINC001586938267 1092770324 /nfs/dbraw/zinc/77/03/24/1092770324.db2.gz HISACPBGOGGTBL-CZUORRHYSA-N 0 0 327.380 2.629 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccon2)cc1 ZINC001587268805 1092797445 /nfs/dbraw/zinc/79/74/45/1092797445.db2.gz LKLDWFYCTOQLAM-UHFFFAOYSA-N 0 0 337.379 2.754 10 10 EFCERN C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1ccccc1O ZINC001587444487 1092813643 /nfs/dbraw/zinc/81/36/43/1092813643.db2.gz GTSNJRULWXPPGG-SNVBAGLBSA-N 0 0 343.774 2.512 10 10 EFCERN CNC(=O)c1ccccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001587882761 1092864468 /nfs/dbraw/zinc/86/44/68/1092864468.db2.gz QSCJRQVJMGCLPS-UHFFFAOYSA-N 0 0 342.376 2.924 10 10 EFCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)Cc2cncnc21 ZINC001588250001 1092908640 /nfs/dbraw/zinc/90/86/40/1092908640.db2.gz HCIOWUIIRURVAZ-SECBINFHSA-N 0 0 341.392 2.862 10 10 EFCERN CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 ZINC001650905896 1093506904 /nfs/dbraw/zinc/50/69/04/1093506904.db2.gz LHPDSRLKMTXUFM-UHFFFAOYSA-N 0 0 340.387 2.500 10 10 EFCERN O=C(NCc1ccncc1C(F)(F)F)c1c(F)ccc(O)c1O ZINC001650982569 1093516326 /nfs/dbraw/zinc/51/63/26/1093516326.db2.gz IMANIZGNEJHMBR-UHFFFAOYSA-N 0 0 330.237 2.581 10 10 EFCERN O=C(NCCOc1ccc(F)c(Cl)c1)c1c(F)ccc(O)c1O ZINC001651029339 1093519975 /nfs/dbraw/zinc/51/99/75/1093519975.db2.gz PCEXXEFSNKMAGY-UHFFFAOYSA-N 0 0 343.713 2.838 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(OCC(F)(F)F)c1 ZINC001651222480 1093540662 /nfs/dbraw/zinc/54/06/62/1093540662.db2.gz HOEZCNMVWUWFRS-UHFFFAOYSA-N 0 0 341.285 2.969 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3[nH]cnc3C23CCC3)cc1 ZINC001651216493 1093541477 /nfs/dbraw/zinc/54/14/77/1093541477.db2.gz YIRGQSSTRDMBLP-UHFFFAOYSA-N 0 0 338.371 2.650 10 10 EFCERN Cn1cc(-c2ccc(F)c(C(=O)NCc3cc(O)ccc3O)c2)cn1 ZINC001651225469 1093542138 /nfs/dbraw/zinc/54/21/38/1093542138.db2.gz KTHZNCQEIWXAMJ-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN COc1ccc(C(=O)NCc2cccc(O)c2O)c(OC(F)F)c1 ZINC001593739069 1094410027 /nfs/dbraw/zinc/41/00/27/1094410027.db2.gz FJZFKOUBHWVBKV-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN CC(C)(C)Oc1cccc(CCC(=O)NCc2cc(O)ccc2O)n1 ZINC001593872904 1094412174 /nfs/dbraw/zinc/41/21/74/1094412174.db2.gz GAJMEZNQIKSHGN-UHFFFAOYSA-N 0 0 344.411 2.919 10 10 EFCERN Cc1cc(Br)oc1C(=O)NCc1cc(O)ccc1O ZINC001593873492 1094412183 /nfs/dbraw/zinc/41/21/83/1094412183.db2.gz QTRNWPPLJQGZPG-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1c(F)cccc1Br ZINC001593872778 1094412353 /nfs/dbraw/zinc/41/23/53/1094412353.db2.gz DTYVPCCYWJZKDW-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](O)c1ccccc1F ZINC001595441538 1094468698 /nfs/dbraw/zinc/46/86/98/1094468698.db2.gz QLUWIQFDJZYZFX-WWPQMGLFSA-N 0 0 345.370 2.879 10 10 EFCERN CCNC(=O)c1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001595476799 1094472333 /nfs/dbraw/zinc/47/23/33/1094472333.db2.gz QRJOSIJBUXISEQ-UHFFFAOYSA-N 0 0 339.355 2.851 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)c2ccncc12 ZINC001595751300 1094491496 /nfs/dbraw/zinc/49/14/96/1094491496.db2.gz FTXBYPYWECNIPG-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC001595800510 1094495784 /nfs/dbraw/zinc/49/57/84/1094495784.db2.gz XQAFJUKTGZGWMG-CABCVRRESA-N 0 0 342.351 2.729 10 10 EFCERN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001596160179 1094516608 /nfs/dbraw/zinc/51/66/08/1094516608.db2.gz DCXXFABGCUTFCU-SNVBAGLBSA-N 0 0 328.328 2.833 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001596578024 1094537653 /nfs/dbraw/zinc/53/76/53/1094537653.db2.gz GEUKJCANFXQSGX-UHFFFAOYSA-N 0 0 328.412 2.803 10 10 EFCERN CCCCC[C@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733561 1094544627 /nfs/dbraw/zinc/54/46/27/1094544627.db2.gz UFAJTYUPRZRLOH-SFHVURJKSA-N 0 0 334.460 2.675 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001596916126 1094552876 /nfs/dbraw/zinc/55/28/76/1094552876.db2.gz AAGUHUIWDNEVEN-CQSZACIVSA-N 0 0 343.276 2.900 10 10 EFCERN O=C(CCc1nnc(-c2ccccc2)o1)NCc1c(O)cccc1F ZINC001596912048 1094552924 /nfs/dbraw/zinc/55/29/24/1094552924.db2.gz LAYMTNYVBUGPOW-UHFFFAOYSA-N 0 0 341.342 2.830 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1c(F)cccc1-n1cccn1 ZINC001596912025 1094553370 /nfs/dbraw/zinc/55/33/70/1094553370.db2.gz KOOVTFYMCAEJSF-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccnnc2)CCCC1 ZINC001596928691 1094553521 /nfs/dbraw/zinc/55/35/21/1094553521.db2.gz QBWLEEOZPKFJJZ-UHFFFAOYSA-N 0 0 336.395 2.957 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001597569005 1094599806 /nfs/dbraw/zinc/59/98/06/1094599806.db2.gz MBTDOQSWURAZJE-RISCZKNCSA-N 0 0 340.379 2.622 10 10 EFCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1c(O)cccc1O ZINC001597573267 1094602760 /nfs/dbraw/zinc/60/27/60/1094602760.db2.gz BHLWQXIECXQXLZ-LBPRGKRZSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(O)ccc1C(F)(F)F ZINC001597573777 1094602891 /nfs/dbraw/zinc/60/28/91/1094602891.db2.gz GDUGIPCZHFVASM-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN Cc1cc(C(=O)N[C@@]2(C)CCNC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001597682608 1094613470 /nfs/dbraw/zinc/61/34/70/1094613470.db2.gz VYROKYWVQXQXNF-FQEVSTJZSA-N 0 0 339.439 2.719 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1[nH]ncc1Br ZINC001597742426 1094618864 /nfs/dbraw/zinc/61/88/64/1094618864.db2.gz KRNONNSRTIWYTA-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN Cn1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001597753762 1094620694 /nfs/dbraw/zinc/62/06/94/1094620694.db2.gz WSIVBBAUJLCWRI-HYXAFXHYSA-N 0 0 327.262 2.502 10 10 EFCERN CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 ZINC001625884506 1095366954 /nfs/dbraw/zinc/36/69/54/1095366954.db2.gz OXMBBGCSYQMEHJ-VAWYXSNFSA-N 0 0 346.390 2.666 10 10 EFCERN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000092588240 1096186003 /nfs/dbraw/zinc/18/60/03/1096186003.db2.gz URJDAEJUEUIPCI-ZDUSSCGKSA-N 0 0 336.432 2.842 10 10 EFCERN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1F ZINC000783356020 1096932979 /nfs/dbraw/zinc/93/29/79/1096932979.db2.gz BWIYMINMIOQOCU-UHFFFAOYSA-N 0 0 332.327 2.941 10 10 EFCERN Cc1cc2nc(C)cc(C(=O)NCc3cccc(Cl)c3O)n2n1 ZINC001606860100 1097463580 /nfs/dbraw/zinc/46/35/80/1097463580.db2.gz FRFPWZUFGUWYKO-UHFFFAOYSA-N 0 0 330.775 2.635 10 10 EFCERN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001611090732 1098978980 /nfs/dbraw/zinc/97/89/80/1098978980.db2.gz WIRFJJXXLKPNOZ-FVMDXXJSSA-N 0 0 337.322 2.882 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc(C(C)(C)C)s1 ZINC001611432257 1099009866 /nfs/dbraw/zinc/00/98/66/1099009866.db2.gz YXLXTFLWIHAGOM-SECBINFHSA-N 0 0 335.429 2.608 10 10 EFCERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc2cccnc2c1O ZINC001612506546 1099061039 /nfs/dbraw/zinc/06/10/39/1099061039.db2.gz HOWISSKIYLBEDM-UHFFFAOYSA-N 0 0 327.344 2.986 10 10 EFCERN CC[C@@H](C)[C@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001613103191 1099090984 /nfs/dbraw/zinc/09/09/84/1099090984.db2.gz VPVPKNJZUFWRNQ-FZKQIMNGSA-N 0 0 332.448 2.726 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC1=CCCOC1 ZINC001613923026 1099111498 /nfs/dbraw/zinc/11/14/98/1099111498.db2.gz CJMRFZLXXFQTBV-UHFFFAOYSA-N 0 0 328.416 2.529 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCCC1(C)C ZINC001613923667 1099111906 /nfs/dbraw/zinc/11/19/06/1099111906.db2.gz ZQWNWHWTMXMEIA-MRXNPFEDSA-N 0 0 344.459 2.998 10 10 EFCERN COc1ccc(N(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1Cl ZINC001616055513 1099169049 /nfs/dbraw/zinc/16/90/49/1099169049.db2.gz BQCCPDMBFLFZIR-LBPRGKRZSA-N 0 0 340.851 2.811 10 10 EFCERN CN(Cc1nnc(-c2ccccc2O)o1)c1ccc2c(c1)OCO2 ZINC001616389720 1099178421 /nfs/dbraw/zinc/17/84/21/1099178421.db2.gz RDQWSYMBTQIOHG-UHFFFAOYSA-N 0 0 325.324 2.807 10 10 EFCERN CCOC(=O)Nc1ccc(OC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001616502586 1099182623 /nfs/dbraw/zinc/18/26/23/1099182623.db2.gz IKKKXENUSGSCDJ-UHFFFAOYSA-N 0 0 331.324 2.814 10 10 EFCERN CC(C)c1nccn1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001616537386 1099184191 /nfs/dbraw/zinc/18/41/91/1099184191.db2.gz JKPDONUZKNWBMH-UHFFFAOYSA-N 0 0 328.376 2.599 10 10 EFCERN CCOCc1nnc(N(C)CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001616675649 1099187965 /nfs/dbraw/zinc/18/79/65/1099187965.db2.gz AHHWTWVWYQOPKT-UHFFFAOYSA-N 0 0 335.427 2.524 10 10 EFCERN COc1nscc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001616866020 1099199143 /nfs/dbraw/zinc/19/91/43/1099199143.db2.gz UYPZHEADJZYCBT-CYBMUJFWSA-N 0 0 333.457 2.839 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ncoc1-c1ccon1 ZINC001126004592 1099255282 /nfs/dbraw/zinc/25/52/82/1099255282.db2.gz FPKNMPPKVAUCNN-UHFFFAOYSA-N 0 0 326.356 2.634 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1=CCCOC1 ZINC001617940283 1099267458 /nfs/dbraw/zinc/26/74/58/1099267458.db2.gz MEURHFMFDPWURZ-UHFFFAOYSA-N 0 0 340.427 2.844 10 10 EFCERN COC[C@]1(C(=O)OC)CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001620451263 1099353502 /nfs/dbraw/zinc/35/35/02/1099353502.db2.gz WIVSGHBXGXMOEQ-IBGZPJMESA-N 0 0 334.460 2.605 10 10 EFCERN CC(=O)c1cc(F)cc(CN2NC(=O)C[C@@H]2c2ccccc2)c1O ZINC001620692373 1099371395 /nfs/dbraw/zinc/37/13/95/1099371395.db2.gz WJVVSVGUKHIVTF-MRXNPFEDSA-N 0 0 328.343 2.712 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2C1 ZINC000843758404 1099413447 /nfs/dbraw/zinc/41/34/47/1099413447.db2.gz NTJCZNBHEVSZKL-AWEZNQCLSA-N 0 0 326.444 2.804 10 10 EFCERN COc1ccc(C[C@H]2CCN2C(=O)c2ccc(C)c(O)c2O)cc1 ZINC001621979929 1099466262 /nfs/dbraw/zinc/46/62/62/1099466262.db2.gz GEONMDBSOGSNSA-CQSZACIVSA-N 0 0 327.380 2.872 10 10 EFCERN Cc1cc(CC(=O)NC[C@H]2COC(C)(C)O2)c(C)n1-c1ccccc1 ZINC001622043971 1099471395 /nfs/dbraw/zinc/47/13/95/1099471395.db2.gz QTZVOHWUYHPHEI-SFHVURJKSA-N 0 0 342.439 2.904 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(C)c(C=O)s3)CC2)cc1 ZINC001622438570 1099512825 /nfs/dbraw/zinc/51/28/25/1099512825.db2.gz ZEEWSSMYYBUZGB-UHFFFAOYSA-N 0 0 344.436 2.840 10 10 EFCERN O=C(NCc1ccccc1O)c1cccn2ncc(Br)c12 ZINC001622772998 1099542783 /nfs/dbraw/zinc/54/27/83/1099542783.db2.gz RBVMXTZSRFZFRE-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN CC(C)Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(=O)[nH]1 ZINC001623311649 1099574745 /nfs/dbraw/zinc/57/47/45/1099574745.db2.gz VXQZGCGYQDFARG-UHFFFAOYSA-N 0 0 327.428 2.982 10 10 EFCERN COC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001624370184 1099686175 /nfs/dbraw/zinc/68/61/75/1099686175.db2.gz GTMMIGJAFKQRRN-AWEZNQCLSA-N 0 0 349.814 2.840 10 10 EFCERN C[C@H](Cc1c[nH]cn1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629754 1099712873 /nfs/dbraw/zinc/71/28/73/1099712873.db2.gz BJCZOVDDCWRSDD-OAHLLOKOSA-N 0 0 326.444 2.847 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)c2ccccn2)cc1 ZINC001624998036 1099760002 /nfs/dbraw/zinc/76/00/02/1099760002.db2.gz KGFRPVBUJSPFTJ-LJQANCHMSA-N 0 0 335.407 2.953 10 10 EFCERN COc1cccc(C[C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001625208973 1099781283 /nfs/dbraw/zinc/78/12/83/1099781283.db2.gz MDODOLUFDFWVNY-INIZCTEOSA-N 0 0 341.407 2.883 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001625632246 1099834403 /nfs/dbraw/zinc/83/44/03/1099834403.db2.gz DPODSKJRLIBAPJ-ZDUSSCGKSA-N 0 0 333.771 2.934 10 10 EFCERN COC(=O)Nc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1F ZINC001626726321 1099910102 /nfs/dbraw/zinc/91/01/02/1099910102.db2.gz KWJCEIFEJQDSCI-UHFFFAOYSA-N 0 0 334.303 2.596 10 10 EFCERN C/C(=C/C(=O)NCc1cccc(Br)c1O)c1cnccn1 ZINC001626821581 1099922489 /nfs/dbraw/zinc/92/24/89/1099922489.db2.gz BQKXBDMYNXDRLP-YFHOEESVSA-N 0 0 348.200 2.664 10 10 EFCERN Cn1cc(Oc2ccccc2C(=O)NCc2ccc(O)cc2O)cn1 ZINC001626837956 1099924325 /nfs/dbraw/zinc/92/43/25/1099924325.db2.gz LJXGDYHEBQPTIB-UHFFFAOYSA-N 0 0 339.351 2.554 10 10 EFCERN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccc1F ZINC001626838327 1099924787 /nfs/dbraw/zinc/92/47/87/1099924787.db2.gz WVMYKJQUCTUPRO-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001626837871 1099924892 /nfs/dbraw/zinc/92/48/92/1099924892.db2.gz IAGWJNOYQHRWQX-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(OC(F)F)cc1F ZINC001626850820 1099926267 /nfs/dbraw/zinc/92/62/67/1099926267.db2.gz XTFFNWJUZCXPSN-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc([N+](=O)[O-])cc1F ZINC001627069635 1099953750 /nfs/dbraw/zinc/95/37/50/1099953750.db2.gz RCDVIHPPMLMKDY-UHFFFAOYSA-N 0 0 341.298 2.918 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001627073512 1099954428 /nfs/dbraw/zinc/95/44/28/1099954428.db2.gz QIWOERDEEGWBQB-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN Cc1nc(Cl)sc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000040803663 1099961113 /nfs/dbraw/zinc/96/11/13/1099961113.db2.gz XFJHERXDZQOKPM-UHFFFAOYSA-N 0 0 345.877 2.649 10 10 EFCERN CCCN(C(=O)c1cccc(O)c1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC001627136151 1099961266 /nfs/dbraw/zinc/96/12/66/1099961266.db2.gz FWVHJKSNLISUKZ-ZDUSSCGKSA-N 0 0 342.395 2.977 10 10 EFCERN COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 ZINC001627267179 1099975514 /nfs/dbraw/zinc/97/55/14/1099975514.db2.gz QECTXOOTGWWJNW-LBPRGKRZSA-N 0 0 346.368 2.555 10 10 EFCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC001627807530 1100034215 /nfs/dbraw/zinc/03/42/15/1100034215.db2.gz FDYPXOCRTJNWHX-LBPRGKRZSA-N 0 0 325.368 2.784 10 10 EFCERN C[S@](=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001628525019 1100111406 /nfs/dbraw/zinc/11/14/06/1100111406.db2.gz UGBXIMSSLQRUJS-QHCPKHFHSA-N 0 0 330.369 2.839 10 10 EFCERN O=C(C[C@@H]1C(=O)Nc2c1cccc2F)NCc1cc(Cl)ccc1O ZINC001628679849 1100124063 /nfs/dbraw/zinc/12/40/63/1100124063.db2.gz BCFFXSZCRDNCMC-LBPRGKRZSA-N 0 0 348.761 2.927 10 10 EFCERN CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001628709393 1100125676 /nfs/dbraw/zinc/12/56/76/1100125676.db2.gz XDTMASLQJYDXDL-UHFFFAOYSA-N 0 0 329.375 2.780 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc2cnccc2s1 ZINC001628727425 1100129109 /nfs/dbraw/zinc/12/91/09/1100129109.db2.gz WUKQGFFURAVLTN-UHFFFAOYSA-N 0 0 340.408 2.797 10 10 EFCERN CN(C[C@@H](O)Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628824685 1100140189 /nfs/dbraw/zinc/14/01/89/1100140189.db2.gz BWKCLEKDLAVODQ-INIZCTEOSA-N 0 0 340.383 2.525 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cccc1 ZINC000729523004 1100159147 /nfs/dbraw/zinc/15/91/47/1100159147.db2.gz CIGVFNDUWDDAAS-HNNXBMFYSA-N 0 0 345.418 2.731 10 10 EFCERN O=C(NCc1cnc(Cl)cn1)c1cc2cc(O)c(O)cc2s1 ZINC001629341772 1100200498 /nfs/dbraw/zinc/20/04/98/1100200498.db2.gz RUCSIBYYPNSBHO-UHFFFAOYSA-N 0 0 335.772 2.686 10 10 EFCERN COc1cc(OC)c2c(c1)N(C(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001629363554 1100203482 /nfs/dbraw/zinc/20/34/82/1100203482.db2.gz UABUPDCXMNVVOK-UHFFFAOYSA-N 0 0 343.379 2.637 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001629393807 1100206695 /nfs/dbraw/zinc/20/66/95/1100206695.db2.gz IOUHSEQUJWIMLI-HNNXBMFYSA-N 0 0 329.371 2.871 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2csc(Br)n2)c1 ZINC001629740927 1100242011 /nfs/dbraw/zinc/24/20/11/1100242011.db2.gz SYGZSUQUQWHCEH-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843778651 1100254085 /nfs/dbraw/zinc/25/40/85/1100254085.db2.gz HUCYYNUGMVTAPL-CYBMUJFWSA-N 0 0 332.423 2.918 10 10 EFCERN Cc1ccnn1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001629944035 1100262875 /nfs/dbraw/zinc/26/28/75/1100262875.db2.gz ZTFGAPMKOXNWPJ-UHFFFAOYSA-N 0 0 325.368 2.719 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N(CCCO)Cc2ccccc2)cc1 ZINC001630056773 1100272193 /nfs/dbraw/zinc/27/21/93/1100272193.db2.gz DXUHMHAMBPREPU-UHFFFAOYSA-N 0 0 340.383 2.874 10 10 EFCERN C[Si](C)(C)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001630273067 1100289072 /nfs/dbraw/zinc/28/90/72/1100289072.db2.gz IWQUWBONFVSSAI-UHFFFAOYSA-N 0 0 329.472 2.502 10 10 EFCERN O=C(Cc1coc2c1ccc(F)c2F)NCc1ccc(O)c(O)c1 ZINC001630273503 1100290192 /nfs/dbraw/zinc/29/01/92/1100290192.db2.gz QGODBCJZPJCYEU-UHFFFAOYSA-N 0 0 333.290 2.981 10 10 EFCERN C/C=C\COc1cccc(CC(=O)NCc2ccc(O)cc2O)c1 ZINC001630301844 1100291070 /nfs/dbraw/zinc/29/10/70/1100291070.db2.gz JUGBEBZNJIWPEA-IHWYPQMZSA-N 0 0 327.380 2.912 10 10 EFCERN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCc1ccc(O)cc1O ZINC001630301522 1100291206 /nfs/dbraw/zinc/29/12/06/1100291206.db2.gz DLXAWPZNAHIALM-INIZCTEOSA-N 0 0 337.379 2.659 10 10 EFCERN Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(O)cc3O)c2C)no1 ZINC001630302342 1100292124 /nfs/dbraw/zinc/29/21/24/1100292124.db2.gz YITFWVAPIHLYRV-UHFFFAOYSA-N 0 0 341.367 2.732 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C)c(Br)o2)c1O ZINC001630366258 1100299129 /nfs/dbraw/zinc/29/91/29/1100299129.db2.gz NPUIPUHEGYPBHT-UHFFFAOYSA-N 0 0 340.173 2.995 10 10 EFCERN O=C(Cc1noc2ccccc12)NCc1ccc2cccnc2c1O ZINC001630526382 1100313830 /nfs/dbraw/zinc/31/38/30/1100313830.db2.gz DULGBAAMXLVKSK-UHFFFAOYSA-N 0 0 333.347 2.941 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2nsnc21 ZINC001630531704 1100314279 /nfs/dbraw/zinc/31/42/79/1100314279.db2.gz BGDANINZDHTFEE-UHFFFAOYSA-N 0 0 336.376 2.875 10 10 EFCERN C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc4cccnc4c3O)c2C1 ZINC001630532108 1100315864 /nfs/dbraw/zinc/31/58/64/1100315864.db2.gz HGLVCFLMTRTAOX-NSHDSACASA-N 0 0 336.395 2.718 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCCc3cc[nH]c(=O)c32)cc1 ZINC001630747943 1100335821 /nfs/dbraw/zinc/33/58/21/1100335821.db2.gz BQBSWFBOQAAJCN-UHFFFAOYSA-N 0 0 325.328 2.543 10 10 EFCERN Cn1nnc2cc(NC(=O)c3cc4cc(O)c(O)cc4s3)ccc21 ZINC001630900938 1100351689 /nfs/dbraw/zinc/35/16/89/1100351689.db2.gz PIABKPNFQULORQ-UHFFFAOYSA-N 0 0 340.364 2.847 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3OC(C)(C)C)CC2)cc1 ZINC001630992737 1100359344 /nfs/dbraw/zinc/35/93/44/1100359344.db2.gz UZRVGKUKUQUUOK-QZTJIDSGSA-N 0 0 346.471 2.938 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001631093561 1100369865 /nfs/dbraw/zinc/36/98/65/1100369865.db2.gz MCMPJHBGOSYOIQ-HTUWBFOXSA-N 0 0 325.364 2.833 10 10 EFCERN CCn1ncnc1-c1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC001631154485 1100375961 /nfs/dbraw/zinc/37/59/61/1100375961.db2.gz CUUPFIWIZNEMGI-UHFFFAOYSA-N 0 0 336.395 2.943 10 10 EFCERN CCOc1ccc2c(c1)CN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001631307020 1100386940 /nfs/dbraw/zinc/38/69/40/1100386940.db2.gz NYTKXLSVMHNKNG-UHFFFAOYSA-N 0 0 327.380 2.624 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCn3cccc3)CC2)cc1F ZINC001631377911 1100392992 /nfs/dbraw/zinc/39/29/92/1100392992.db2.gz UJQBGALMBBPFSZ-UHFFFAOYSA-N 0 0 345.418 2.765 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccccn3)CC2)cc1F ZINC001631377030 1100393510 /nfs/dbraw/zinc/39/35/10/1100393510.db2.gz GFWOQVXAZUUEKY-AWEZNQCLSA-N 0 0 343.402 2.682 10 10 EFCERN O=Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)s1 ZINC001631516902 1100406432 /nfs/dbraw/zinc/40/64/32/1100406432.db2.gz NNFCXMBHMWQLOW-UHFFFAOYSA-N 0 0 325.773 2.598 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2NC(C)=O)c1 ZINC001631542975 1100408869 /nfs/dbraw/zinc/40/88/69/1100408869.db2.gz OIVPZDWMFPXWNQ-SNVBAGLBSA-N 0 0 346.358 2.989 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC001631894898 1100437980 /nfs/dbraw/zinc/43/79/80/1100437980.db2.gz DMWHPRDKSKDSJV-MJGOQNOKSA-N 0 0 327.380 2.677 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccnc(-n2cccn2)c1 ZINC001632223536 1100460479 /nfs/dbraw/zinc/46/04/79/1100460479.db2.gz LBPVPXLCQLLERP-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1O ZINC001632249784 1100463047 /nfs/dbraw/zinc/46/30/47/1100463047.db2.gz BKNPPNGQHCOTRY-JTQLQIEISA-N 0 0 334.303 2.696 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001632953368 1100510749 /nfs/dbraw/zinc/51/07/49/1100510749.db2.gz NOCISXOYWNENML-AWEZNQCLSA-N 0 0 335.306 2.590 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001633355613 1100538314 /nfs/dbraw/zinc/53/83/14/1100538314.db2.gz KSNGCPKRQNKVAU-DZFYGRHCSA-N 0 0 325.364 2.791 10 10 EFCERN O=C(NCc1cccc(O)c1O)C1(c2ccnc3ccccc32)CC1 ZINC001633515703 1100546095 /nfs/dbraw/zinc/54/60/95/1100546095.db2.gz MNPAVMWAURLUNF-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cccc(Br)c1F ZINC001633515879 1100547336 /nfs/dbraw/zinc/54/73/36/1100547336.db2.gz UVPNJRDSJOLBIZ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CCSc1c[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001633818032 1100567463 /nfs/dbraw/zinc/56/74/63/1100567463.db2.gz CHKKEAUIJSKEFY-JTQLQIEISA-N 0 0 348.424 2.671 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)c(F)c1N ZINC001633818944 1100567827 /nfs/dbraw/zinc/56/78/27/1100567827.db2.gz MSAMSZOKGCETNF-MRVPVSSYSA-N 0 0 338.766 2.834 10 10 EFCERN CC(C)c1cc([C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)[nH]n1 ZINC001633886747 1100573018 /nfs/dbraw/zinc/57/30/18/1100573018.db2.gz GOEHUDRWXABRAU-CQSZACIVSA-N 0 0 343.427 2.893 10 10 EFCERN COc1ccc(CNC(=O)c2c(O)cnc3c(F)cccc32)c(O)c1 ZINC001633927043 1100574321 /nfs/dbraw/zinc/57/43/21/1100574321.db2.gz PUHWYPWSBFHJJZ-UHFFFAOYSA-N 0 0 342.326 2.724 10 10 EFCERN COc1ccc(CNC(=O)c2ccccc2N=S(C)(C)=O)c(O)c1 ZINC001633926708 1100574884 /nfs/dbraw/zinc/57/48/84/1100574884.db2.gz JRMLMRBHXJFXJG-UHFFFAOYSA-N 0 0 348.424 2.690 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3cnnc3)cc2)cc1 ZINC001633944800 1100576380 /nfs/dbraw/zinc/57/63/80/1100576380.db2.gz LISJRENREIXPCD-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](CO)[C@H]1C ZINC001634137663 1100587325 /nfs/dbraw/zinc/58/73/25/1100587325.db2.gz IQTXGOZHXRXJEW-ZBFHGGJFSA-N 0 0 340.423 2.750 10 10 EFCERN C[C@H](NC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC001634435799 1100607933 /nfs/dbraw/zinc/60/79/33/1100607933.db2.gz RMXZVUBRJWLFBQ-RRQGHBQHSA-N 0 0 331.460 2.880 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(C(=O)OC)c1 ZINC001634938172 1100636442 /nfs/dbraw/zinc/63/64/42/1100636442.db2.gz ANYQNSWGXUOQMN-UHFFFAOYSA-N 0 0 348.395 2.903 10 10 EFCERN Cc1cc(CNC(=O)[C@H]2CCCC(=O)N2C)c(C)n1-c1ccccc1 ZINC001635330730 1100655339 /nfs/dbraw/zinc/65/53/39/1100655339.db2.gz FWIHIEBRMVJOKF-GOSISDBHSA-N 0 0 339.439 2.721 10 10 EFCERN O=C(Cc1ccn(-c2ccccc2)n1)NCc1c(O)cccc1F ZINC001635360875 1100656866 /nfs/dbraw/zinc/65/68/66/1100656866.db2.gz SRUOGYDDDDOKDU-UHFFFAOYSA-N 0 0 325.343 2.576 10 10 EFCERN CN=[S@](C)(=O)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001635477663 1100664020 /nfs/dbraw/zinc/66/40/20/1100664020.db2.gz VPSSQIWUXODKTF-QZOBCFMQSA-N 0 0 346.408 2.836 10 10 EFCERN CC1(C)CCC[C@](O)(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001635546300 1100667440 /nfs/dbraw/zinc/66/74/40/1100667440.db2.gz AMTORJMPFLOFAR-WSSFADSRSA-N 0 0 333.428 2.949 10 10 EFCERN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001635793732 1100680175 /nfs/dbraw/zinc/68/01/75/1100680175.db2.gz FRMKCLMKCWWFPN-LLVKDONJSA-N 0 0 326.331 2.603 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cscc1Br ZINC001635846766 1100684022 /nfs/dbraw/zinc/68/40/22/1100684022.db2.gz APABFMYLOVTXBZ-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN C/C=C/c1ccc(OCC(=O)NCc2c(O)cccc2O)c(OC)c1 ZINC001635843230 1100684026 /nfs/dbraw/zinc/68/40/26/1100684026.db2.gz IYGIZBZWBFEBPF-HWKANZROSA-N 0 0 343.379 2.835 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(C(F)(F)F)c1 ZINC001635884377 1100685861 /nfs/dbraw/zinc/68/58/61/1100685861.db2.gz XAVUMDQWPQRBGI-RQOWECAXSA-N 0 0 338.285 2.841 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1noc2ccc(F)cc12 ZINC001635948377 1100689683 /nfs/dbraw/zinc/68/96/83/1100689683.db2.gz AFZFHIBLRZGYLK-QHHAFSJGSA-N 0 0 328.299 2.708 10 10 EFCERN CCCCNc1nc(CC(=O)NCCc2ccc(O)c(O)c2)cs1 ZINC001636023045 1100694691 /nfs/dbraw/zinc/69/46/91/1100694691.db2.gz UZOPZMLUNNOEGF-UHFFFAOYSA-N 0 0 349.456 2.668 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)Cc1ccccc1 ZINC001636698067 1100733356 /nfs/dbraw/zinc/73/33/56/1100733356.db2.gz JFWDGQAFWUWQEH-GFCCVEGCSA-N 0 0 338.367 2.779 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001636977242 1100748591 /nfs/dbraw/zinc/74/85/91/1100748591.db2.gz OMWZYFOCTBLYRT-UHFFFAOYSA-N 0 0 343.276 2.827 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(F)c(Cl)c1 ZINC001637031996 1100753046 /nfs/dbraw/zinc/75/30/46/1100753046.db2.gz ZMKKPURXMIOCSR-UHFFFAOYSA-N 0 0 339.750 2.628 10 10 EFCERN COC(=O)c1ccsc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001637068659 1100755266 /nfs/dbraw/zinc/75/52/66/1100755266.db2.gz IOSRKBNWVAQZLG-UHFFFAOYSA-N 0 0 332.341 2.949 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(F)cc1Br ZINC001637122958 1100758564 /nfs/dbraw/zinc/75/85/64/1100758564.db2.gz UJFDPUROAKNSIA-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cc(O)ccc2O)c1 ZINC001637126279 1100758685 /nfs/dbraw/zinc/75/86/85/1100758685.db2.gz REXSEXLTSWGSCQ-GOEBONIOSA-N 0 0 343.379 2.535 10 10 EFCERN CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001637125951 1100758852 /nfs/dbraw/zinc/75/88/52/1100758852.db2.gz ITEJPESYFGONCN-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c2cnn(C(C)C)c2n1 ZINC001638352685 1100851087 /nfs/dbraw/zinc/85/10/87/1100851087.db2.gz UICKOLFFAKMGQH-UHFFFAOYSA-N 0 0 340.383 2.662 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc2c(Cl)cccc2c1O ZINC001638351679 1100851560 /nfs/dbraw/zinc/85/15/60/1100851560.db2.gz BMDXHCHSBHHQTG-UHFFFAOYSA-N 0 0 344.754 2.523 10 10 EFCERN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccc(C)cc1 ZINC001638352640 1100851607 /nfs/dbraw/zinc/85/16/07/1100851607.db2.gz SZHICOUWDDDPDR-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCC2(CCO)CCCCC2)cc1 ZINC001638443901 1100860408 /nfs/dbraw/zinc/86/04/08/1100860408.db2.gz ILUXFTROVVVPIY-UHFFFAOYSA-N 0 0 332.404 2.912 10 10 EFCERN CCCCSCC(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001638529241 1100865559 /nfs/dbraw/zinc/86/55/59/1100865559.db2.gz JGPSGVQBPCMBJR-UHFFFAOYSA-N 0 0 339.457 2.817 10 10 EFCERN Cc1noc2ncc(C(=O)NCc3ccc4cccnc4c3O)cc12 ZINC001638569667 1100869767 /nfs/dbraw/zinc/86/97/67/1100869767.db2.gz KNQYOJKEPKXQQS-UHFFFAOYSA-N 0 0 334.335 2.715 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)C1(c2ccccc2)CC(=O)C1 ZINC001638572916 1100870038 /nfs/dbraw/zinc/87/00/38/1100870038.db2.gz AQBUBJPTELLMOZ-UHFFFAOYSA-N 0 0 346.386 2.858 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ncoc1-c1ccon1 ZINC001638573057 1100870124 /nfs/dbraw/zinc/87/01/24/1100870124.db2.gz HSIUDPBWUNUOLP-UHFFFAOYSA-N 0 0 336.307 2.513 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2nccnc21 ZINC001638573081 1100870324 /nfs/dbraw/zinc/87/03/24/1100870324.db2.gz IKMSTJADLMLATK-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(CO)c(F)c1 ZINC001638573094 1100870416 /nfs/dbraw/zinc/87/04/16/1100870416.db2.gz IVDCDVYQPKDAJK-UHFFFAOYSA-N 0 0 326.327 2.502 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)C(=O)c1ccc2c(c1)CCC2 ZINC001638573422 1100870573 /nfs/dbraw/zinc/87/05/73/1100870573.db2.gz WKUQVSTVPNJCGS-UHFFFAOYSA-N 0 0 346.386 2.928 10 10 EFCERN CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)n1 ZINC001638743973 1100883137 /nfs/dbraw/zinc/88/31/37/1100883137.db2.gz WDRAOONYOBYARX-GHMZBOCLSA-N 0 0 348.378 2.612 10 10 EFCERN CCc1noc([C@H]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)n1 ZINC001638743975 1100883408 /nfs/dbraw/zinc/88/34/08/1100883408.db2.gz WDRAOONYOBYARX-QWRGUYRKSA-N 0 0 348.378 2.612 10 10 EFCERN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001638827835 1100889041 /nfs/dbraw/zinc/88/90/41/1100889041.db2.gz SICALZTXETUGAE-HXUWFJFHSA-N 0 0 343.423 2.830 10 10 EFCERN O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1c(O)cccc1F ZINC001638866778 1100892000 /nfs/dbraw/zinc/89/20/00/1100892000.db2.gz MJOPEONCSXIZPA-NSHDSACASA-N 0 0 328.343 2.664 10 10 EFCERN C[S@@](=N)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001638931274 1100899344 /nfs/dbraw/zinc/89/93/44/1100899344.db2.gz BKCOCJPNDZKPFV-WRXCPWQDSA-N 0 0 332.381 2.785 10 10 EFCERN CC(=O)Nc1cnccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001638957615 1100901803 /nfs/dbraw/zinc/90/18/03/1100901803.db2.gz SKTKKQXZMNHQJA-LBPRGKRZSA-N 0 0 326.400 2.597 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)NCc2cc(C)ccc2O)cc1 ZINC001639125356 1100916360 /nfs/dbraw/zinc/91/63/60/1100916360.db2.gz HQBIHUIFNGXQIY-UHFFFAOYSA-N 0 0 326.396 2.945 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(-c2c(F)cccc2F)no1 ZINC001639292828 1100934718 /nfs/dbraw/zinc/93/47/18/1100934718.db2.gz SFFGRZSEUWCWKL-UHFFFAOYSA-N 0 0 346.289 2.961 10 10 EFCERN O=C(CCC(=O)c1c(F)cccc1F)NCc1c(O)cccc1O ZINC001639292497 1100934800 /nfs/dbraw/zinc/93/48/00/1100934800.db2.gz GAPHTDSHGHHAOM-UHFFFAOYSA-N 0 0 335.306 2.655 10 10 EFCERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1c(O)cccc1O ZINC001639289793 1100934981 /nfs/dbraw/zinc/93/49/81/1100934981.db2.gz WPBCPAVMKBBWCM-VIFPVBQESA-N 0 0 339.750 2.974 10 10 EFCERN O=C(Cc1cccc(OC(F)(F)F)c1)NCc1c(O)cccc1O ZINC001639292543 1100935011 /nfs/dbraw/zinc/93/50/11/1100935011.db2.gz HCXMZYFZHPLKQZ-UHFFFAOYSA-N 0 0 341.285 2.855 10 10 EFCERN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCSCC1 ZINC001639384118 1100943267 /nfs/dbraw/zinc/94/32/67/1100943267.db2.gz FVRCBMMHSCIOKZ-CYBMUJFWSA-N 0 0 330.453 2.599 10 10 EFCERN O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1c(O)ccc2ccccc21 ZINC001639384153 1100943430 /nfs/dbraw/zinc/94/34/30/1100943430.db2.gz HGQGZYJULKBKSN-UHFFFAOYSA-N 0 0 346.386 2.899 10 10 EFCERN O=C(Cc1ccc2n[nH]cc2c1)NCc1ccc2cccnc2c1O ZINC001639624661 1100967551 /nfs/dbraw/zinc/96/75/51/1100967551.db2.gz FDDPEDBFJNSOCF-UHFFFAOYSA-N 0 0 332.363 2.676 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc2[nH]cnc21 ZINC001639621699 1100967626 /nfs/dbraw/zinc/96/76/26/1100967626.db2.gz PPFPVWBDUAUBEJ-UHFFFAOYSA-N 0 0 336.326 2.886 10 10 EFCERN COC(=O)c1coc(/C=C\C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001639965493 1100999128 /nfs/dbraw/zinc/99/91/28/1100999128.db2.gz LRMZKDVTOPFBMC-HYXAFXHYSA-N 0 0 335.743 2.755 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(N2CCNC2=O)cc1 ZINC001639965081 1100999744 /nfs/dbraw/zinc/99/97/44/1100999744.db2.gz BWMFKYHHYQVCMW-UHFFFAOYSA-N 0 0 345.786 2.505 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)c1ccncc1 ZINC001640083778 1101012226 /nfs/dbraw/zinc/01/22/26/1101012226.db2.gz GVESVJPCXYOKRO-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640133746 1101016596 /nfs/dbraw/zinc/01/65/96/1101016596.db2.gz QIDMIMLSCREHOF-ZDUSSCGKSA-N 0 0 342.359 2.686 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(N)ccc(F)c3C)C2)cc1 ZINC001640266459 1101030768 /nfs/dbraw/zinc/03/07/68/1101030768.db2.gz WRUJCZJRSLDXSQ-ZDUSSCGKSA-N 0 0 343.402 2.734 10 10 EFCERN Cn1ccc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2c1=O ZINC001640280714 1101031900 /nfs/dbraw/zinc/03/19/00/1101031900.db2.gz AMABEQBTYPASSG-UHFFFAOYSA-N 0 0 349.350 2.953 10 10 EFCERN O=[N+]([O-])c1cc(Br)cnc1N1Cc2cccc(O)c2C1 ZINC001640308217 1101033861 /nfs/dbraw/zinc/03/38/61/1101033861.db2.gz YPHADRAQHSKGLV-UHFFFAOYSA-N 0 0 336.145 2.978 10 10 EFCERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001640362448 1101039328 /nfs/dbraw/zinc/03/93/28/1101039328.db2.gz SPCFETQOQZULOO-SJKOYZFVSA-N 0 0 341.388 2.701 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cc1 ZINC001640559241 1101059708 /nfs/dbraw/zinc/05/97/08/1101059708.db2.gz GXFUDCMNFGYWDU-OWCLPIDISA-N 0 0 339.439 2.832 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccn(-c3ccccc3F)n2)c1 ZINC001640796371 1101079176 /nfs/dbraw/zinc/07/91/76/1101079176.db2.gz BKHWNOKZRGQNLD-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN Nc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1-c1ccccc1 ZINC001640924668 1101089367 /nfs/dbraw/zinc/08/93/67/1101089367.db2.gz QRGGQYFQFQEOPG-UHFFFAOYSA-N 0 0 342.786 2.744 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(OC2CC2)c1F ZINC001641024371 1101096833 /nfs/dbraw/zinc/09/68/33/1101096833.db2.gz WCJNBLNKFNICLJ-UHFFFAOYSA-N 0 0 331.343 2.637 10 10 EFCERN O=C(c1ccccc1-c1cn[nH]c1)N1C[C@@H](CO)Cc2ccccc21 ZINC001641261418 1101118843 /nfs/dbraw/zinc/11/88/43/1101118843.db2.gz DHXQXNIQNZNECO-AWEZNQCLSA-N 0 0 333.391 2.888 10 10 EFCERN Cc1cc(C(=O)COc2cncnc2)c(C)n1-c1ccc(F)cn1 ZINC001641469626 1101138731 /nfs/dbraw/zinc/13/87/31/1101138731.db2.gz HNEJAISNMCZEMO-UHFFFAOYSA-N 0 0 326.331 2.680 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC001641623220 1101152043 /nfs/dbraw/zinc/15/20/43/1101152043.db2.gz XJRIWZGELHZQTE-KXBFYZLASA-N 0 0 344.455 2.689 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)c1 ZINC001641728637 1101160361 /nfs/dbraw/zinc/16/03/61/1101160361.db2.gz DSWQATMKHJPLKL-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001641733219 1101161050 /nfs/dbraw/zinc/16/10/50/1101161050.db2.gz MMWOFOIXWSUBOI-UHFFFAOYSA-N 0 0 342.351 2.888 10 10 EFCERN O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1c(F)ccc(O)c1O ZINC001641795619 1101166187 /nfs/dbraw/zinc/16/61/87/1101166187.db2.gz OACWBHCDKBYLJS-ZDBHGNHJSA-N 0 0 333.746 2.958 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1coc(CO)c1 ZINC001641971961 1101179872 /nfs/dbraw/zinc/17/98/72/1101179872.db2.gz JEDTVGSSSOLGSD-UHFFFAOYSA-N 0 0 334.335 2.734 10 10 EFCERN O=C(CCc1c[nH]cn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971962 1101180119 /nfs/dbraw/zinc/18/01/19/1101180119.db2.gz JENBPCLFRPPDBJ-UHFFFAOYSA-N 0 0 332.367 2.691 10 10 EFCERN COc1ccc2c(c1)C[C@H](CN1CCOc3cc(N(C)C)ccc31)O2 ZINC001642567478 1101224484 /nfs/dbraw/zinc/22/44/84/1101224484.db2.gz QFQIFVXRRHUUNY-QGZVFWFLSA-N 0 0 340.423 2.964 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cc1 ZINC001642843743 1101248151 /nfs/dbraw/zinc/24/81/51/1101248151.db2.gz WDVBRIGGBXGRMP-MRXNPFEDSA-N 0 0 337.383 2.636 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cccc(F)c2)CC1 ZINC001643030954 1101265128 /nfs/dbraw/zinc/26/51/28/1101265128.db2.gz FCKRNYBBGSFEDZ-FNORWQNLSA-N 0 0 342.370 2.599 10 10 EFCERN O=C(CCOc1ccc(Cl)c(F)c1)NCc1ccc(O)cc1O ZINC001643104007 1101270441 /nfs/dbraw/zinc/27/04/41/1101270441.db2.gz KVVHBDLUORRIFD-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)c1cccc(F)c1Cl ZINC001643148893 1101275297 /nfs/dbraw/zinc/27/52/97/1101275297.db2.gz GLBDKEFXORSAJY-ALCCZGGFSA-N 0 0 349.745 2.903 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(-c2cn[nH]c2)cn1 ZINC001643284621 1101286938 /nfs/dbraw/zinc/28/69/38/1101286938.db2.gz IVQWBYUQDNPNSE-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN O=C(Cc1cccnc1Cl)NCc1ccc2cccnc2c1O ZINC001643284404 1101287370 /nfs/dbraw/zinc/28/73/70/1101287370.db2.gz CXXNSSHWIKEYNY-UHFFFAOYSA-N 0 0 327.771 2.848 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1OCCO2 ZINC001643282853 1101287783 /nfs/dbraw/zinc/28/77/83/1101287783.db2.gz BWHYDKJEXRTBFQ-UHFFFAOYSA-N 0 0 336.347 2.642 10 10 EFCERN CCc1ccccc1-n1cc(C(=O)NCc2c(O)cccc2F)nn1 ZINC001652298698 1101471061 /nfs/dbraw/zinc/47/10/61/1101471061.db2.gz NMQDSOKENUFWDC-UHFFFAOYSA-N 0 0 340.358 2.604 10 10 EFCERN O=C(N[C@@H](c1ncon1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001652323062 1101476574 /nfs/dbraw/zinc/47/65/74/1101476574.db2.gz RZAOHHCHJBDKNR-CYBMUJFWSA-N 0 0 331.353 2.577 10 10 EFCERN CC(C)(C)OC(=O)[C@H](C(=O)NCc1c(O)cccc1O)C(C)(C)C ZINC001652626245 1101521542 /nfs/dbraw/zinc/52/15/42/1101521542.db2.gz UHINFWISGUUJRN-AWEZNQCLSA-N 0 0 337.416 2.718 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc(-c2cccnc2)s1 ZINC001652625355 1101521590 /nfs/dbraw/zinc/52/15/90/1101521590.db2.gz CJHROEVERPJNRO-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(Cc2ccccc2)CCOCC1 ZINC001652625329 1101522131 /nfs/dbraw/zinc/52/21/31/1101522131.db2.gz BPSSOPGZOCZNEW-UHFFFAOYSA-N 0 0 341.407 2.754 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC001652622679 1101522462 /nfs/dbraw/zinc/52/24/62/1101522462.db2.gz FCJOFWPVNRBWSQ-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccc(F)cn1 ZINC001652686297 1101530729 /nfs/dbraw/zinc/53/07/29/1101530729.db2.gz PHNPTXMZJFKASR-UHFFFAOYSA-N 0 0 331.376 2.721 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001652708561 1101532582 /nfs/dbraw/zinc/53/25/82/1101532582.db2.gz HUNLINHYSSPSAR-UHFFFAOYSA-N 0 0 325.320 2.855 10 10 EFCERN C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705790 1101532909 /nfs/dbraw/zinc/53/29/09/1101532909.db2.gz NVXAVWXEKIGQBP-ZFWWWQNUSA-N 0 0 329.396 2.746 10 10 EFCERN C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1O ZINC001653563650 1101632224 /nfs/dbraw/zinc/63/22/24/1101632224.db2.gz HTCWXVKVGWMEQX-SECBINFHSA-N 0 0 338.816 2.542 10 10 EFCERN CCCc1n[nH]c(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC001653567412 1101632809 /nfs/dbraw/zinc/63/28/09/1101632809.db2.gz YLMWZOYNBNZRFL-UHFFFAOYSA-N 0 0 338.751 2.559 10 10 EFCERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Cl)c1O ZINC001653567250 1101632851 /nfs/dbraw/zinc/63/28/51/1101632851.db2.gz QWSWHDYXJKPRQJ-LLVKDONJSA-N 0 0 335.787 2.622 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCOc2cccc(Cl)c2)cc1 ZINC001654124473 1101684011 /nfs/dbraw/zinc/68/40/11/1101684011.db2.gz OOBQTXZCCGPWSA-UHFFFAOYSA-N 0 0 348.830 2.980 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1ccc(Cl)nn1 ZINC001654543538 1101729767 /nfs/dbraw/zinc/72/97/67/1101729767.db2.gz SOLLCJZGDWDERX-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN COc1nscc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC001167107703 1101735537 /nfs/dbraw/zinc/73/55/37/1101735537.db2.gz HOBGNDWRYHQFCC-UHFFFAOYSA-N 0 0 333.457 2.873 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCn2c(cc3ccccc32)C1 ZINC001654609708 1101739585 /nfs/dbraw/zinc/73/95/85/1101739585.db2.gz DABBBURNSOZFKJ-UHFFFAOYSA-N 0 0 326.327 2.848 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1nc(Cl)nc2[nH]c(=O)[nH]c21 ZINC001655122549 1101788843 /nfs/dbraw/zinc/78/88/43/1101788843.db2.gz GYGRLBGIEFKPFU-UHFFFAOYSA-N 0 0 332.795 2.698 10 10 EFCERN Cc1nc(NCc2cccc(Br)c2O)ncc1[N+](=O)[O-] ZINC001655448065 1101826385 /nfs/dbraw/zinc/82/63/85/1101826385.db2.gz QXIOHQVFEBLEBP-UHFFFAOYSA-N 0 0 339.149 2.773 10 10 EFCERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccc2cccnc2c1O ZINC001655585143 1101853802 /nfs/dbraw/zinc/85/38/02/1101853802.db2.gz IVEPMJOBFHQQBB-UHFFFAOYSA-N 0 0 330.731 2.931 10 10 EFCERN O=c1[nH]c(NCc2c(O)cccc2O)nc2c1cnn2-c1ccccc1 ZINC001655887431 1101906382 /nfs/dbraw/zinc/90/63/82/1101906382.db2.gz KUEZLMAYKHNRHY-UHFFFAOYSA-N 0 0 349.350 2.544 10 10 EFCERN CC(=O)N1CCc2cc(NC(=O)NCc3c(O)cccc3F)ccc21 ZINC001657633948 1102400137 /nfs/dbraw/zinc/40/01/37/1102400137.db2.gz AYUSAPFQBAADQN-UHFFFAOYSA-N 0 0 343.358 2.762 10 10 EFCERN Cc1c(CC(=O)N[C@H](C)c2ccccc2O)nnn1-c1ccccc1 ZINC001648889925 1102549900 /nfs/dbraw/zinc/54/99/00/1102549900.db2.gz SEKMBPIIPTUIPV-CYBMUJFWSA-N 0 0 336.395 2.701 10 10 EFCERN C[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2F)c1ccccc1O ZINC001648894748 1102554392 /nfs/dbraw/zinc/55/43/92/1102554392.db2.gz RZUOVCILHSKYOW-GXFFZTMASA-N 0 0 328.343 2.835 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000905318761 1103048255 /nfs/dbraw/zinc/04/82/55/1103048255.db2.gz RYAJHCINLMEYQM-GDBMZVCRSA-N 0 0 347.459 2.530 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@H](C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000905458528 1103227877 /nfs/dbraw/zinc/22/78/77/1103227877.db2.gz JEYCMRLKYTYKTQ-GZMMTYOYSA-N 0 0 344.198 2.570 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@@H](C[C@H]3CCCO3)C2=O)cc1Cl ZINC000905458529 1103228272 /nfs/dbraw/zinc/22/82/72/1103228272.db2.gz JEYCMRLKYTYKTQ-KCJUWKMLSA-N 0 0 344.198 2.570 10 10 EFCERN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCO1 ZINC000906261844 1104077531 /nfs/dbraw/zinc/07/75/31/1104077531.db2.gz ZSWMMXLDVAQVTB-PBHICJAKSA-N 0 0 334.485 2.671 10 10 EFCERN Cc1n[nH]c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C(F)(F)F ZINC000906455483 1104220608 /nfs/dbraw/zinc/22/06/08/1104220608.db2.gz XBDKGRXJMDUAPZ-UHFFFAOYSA-N 0 0 344.312 2.872 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000906510822 1104256901 /nfs/dbraw/zinc/25/69/01/1104256901.db2.gz DIVCOVQPPNDYQJ-KDOFPFPSSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)[C@H]3CCCO3)CC2)cc1C ZINC001670850491 1104742242 /nfs/dbraw/zinc/74/22/42/1104742242.db2.gz KVGLUAMMNOEUJY-CRAIPNDOSA-N 0 0 346.471 2.557 10 10 EFCERN O=C(NCc1ccc(OC(F)F)cn1)NCc1c(O)cccc1F ZINC001672297432 1105795275 /nfs/dbraw/zinc/79/52/75/1105795275.db2.gz VMIRYSQUCOMUTK-UHFFFAOYSA-N 0 0 341.289 2.527 10 10 EFCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C2CC2)O1 ZINC000897613972 1105960828 /nfs/dbraw/zinc/96/08/28/1105960828.db2.gz FPPPURREAKZXJR-YMTOWFKASA-N 0 0 333.409 2.952 10 10 EFCERN Cn1ncc2ccc(CNC(=O)NCc3cccc(Cl)c3O)cc21 ZINC001673045548 1105965073 /nfs/dbraw/zinc/96/50/73/1105965073.db2.gz FGNBCGFLYSJCAY-UHFFFAOYSA-N 0 0 344.802 2.932 10 10 EFCERN COC(=O)c1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001673799760 1106086585 /nfs/dbraw/zinc/08/65/85/1106086585.db2.gz UORPPDMIXNLUTD-UWVGGRQHSA-N 0 0 349.412 2.757 10 10 EFCERN CC(C)(C)OC(=O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897893083 1106133964 /nfs/dbraw/zinc/13/39/64/1106133964.db2.gz UPKBHMYOPPXBHQ-UHFFFAOYSA-N 0 0 349.408 2.726 10 10 EFCERN C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)c2nccn21 ZINC000897913518 1106146638 /nfs/dbraw/zinc/14/66/38/1106146638.db2.gz QAKRLTWFGSYWHM-WPRPVWTQSA-N 0 0 329.381 2.945 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](CCO)CC1 ZINC000898000989 1106175673 /nfs/dbraw/zinc/17/56/73/1106175673.db2.gz DMXGXUKREZFMKD-NSHDSACASA-N 0 0 335.425 2.937 10 10 EFCERN O=C(NCc1ccccc1O)NCc1cnccc1C(F)(F)F ZINC001674606579 1106221491 /nfs/dbraw/zinc/22/14/91/1106221491.db2.gz SMHXWJBBCLEMHI-UHFFFAOYSA-N 0 0 325.290 2.805 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1sccc1Br ZINC001142534025 1106239304 /nfs/dbraw/zinc/23/93/04/1106239304.db2.gz WSWDGIMEZFSIPI-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(O)cc1O ZINC001142534050 1106239645 /nfs/dbraw/zinc/23/96/45/1106239645.db2.gz XPMUBZYZSKNDKH-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN COc1ccc(CNC(=O)NCc2c(F)cc(C)cc2F)c(O)c1 ZINC001676314400 1106514529 /nfs/dbraw/zinc/51/45/29/1106514529.db2.gz LDILAFSXBZWFSQ-UHFFFAOYSA-N 0 0 336.338 2.987 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1F ZINC001676698280 1106560791 /nfs/dbraw/zinc/56/07/91/1106560791.db2.gz LBLRCWNCGJFBDF-UKPHBRMFSA-N 0 0 347.434 2.855 10 10 EFCERN CCC(C)(C)CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001680059845 1107784167 /nfs/dbraw/zinc/78/41/67/1107784167.db2.gz BNSKXPDWCBGQHF-UHFFFAOYSA-N 0 0 349.475 2.972 10 10 EFCERN COc1ccccc1C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001680736183 1108048357 /nfs/dbraw/zinc/04/83/57/1108048357.db2.gz YTTOCUGMXBOPEY-LBPRGKRZSA-N 0 0 332.375 2.970 10 10 EFCERN CO[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001681617640 1108364244 /nfs/dbraw/zinc/36/42/44/1108364244.db2.gz IRGLZMJGWQXQRI-WMZOPIPTSA-N 0 0 331.460 2.996 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001681851734 1108453001 /nfs/dbraw/zinc/45/30/01/1108453001.db2.gz JTWUJQBJSHDLLZ-DOTOQJQBSA-N 0 0 331.460 2.853 10 10 EFCERN O=C(NCc1cnn2ccccc12)NCc1cc(Cl)ccc1O ZINC001682242588 1108604462 /nfs/dbraw/zinc/60/44/62/1108604462.db2.gz IZRHUQRORDTZCG-UHFFFAOYSA-N 0 0 330.775 2.693 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)C2)cc1 ZINC001682645342 1108624256 /nfs/dbraw/zinc/62/42/56/1108624256.db2.gz CZXLYRNMPLCGDH-QERJWTBHSA-N 0 0 343.471 2.865 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2C1 ZINC000843538244 1108776636 /nfs/dbraw/zinc/77/66/36/1108776636.db2.gz BUVDYVVTZIWODU-LBPRGKRZSA-N 0 0 330.407 2.601 10 10 EFCERN COC[C@H](C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000096935920 1108800247 /nfs/dbraw/zinc/80/02/47/1108800247.db2.gz CQJQFCXQQQCFIP-HOXUKUGESA-N 0 0 336.482 2.989 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCCN(CCF)C2)c(C)n1-c1ccccn1 ZINC000898491531 1108973525 /nfs/dbraw/zinc/97/35/25/1108973525.db2.gz ZLISAEJDXZYJOI-MRXNPFEDSA-N 0 0 344.434 2.653 10 10 EFCERN C[C@]1(C2CC2)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000898585963 1109024016 /nfs/dbraw/zinc/02/40/16/1109024016.db2.gz GWHFWGFRZBYXLT-QGZVFWFLSA-N 0 0 333.409 2.954 10 10 EFCERN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)n1ccnc1 ZINC000898910785 1109131109 /nfs/dbraw/zinc/13/11/09/1109131109.db2.gz WLAFEMZVJSZSLE-UHFFFAOYSA-N 0 0 331.397 2.674 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccn2ccccc12 ZINC000898982830 1109162034 /nfs/dbraw/zinc/16/20/34/1109162034.db2.gz IXGREXSBYQKFFK-UHFFFAOYSA-N 0 0 349.434 2.830 10 10 EFCERN C[C@]1(C(F)F)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899021592 1109179407 /nfs/dbraw/zinc/17/94/07/1109179407.db2.gz PEWMARFPEDXGGN-OAHLLOKOSA-N 0 0 343.351 2.809 10 10 EFCERN C[C@H](NC(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000899182391 1109234268 /nfs/dbraw/zinc/23/42/68/1109234268.db2.gz ZGGUNGUQQVESPS-LSDHHAIUSA-N 0 0 333.428 2.935 10 10 EFCERN O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc2cc(O)c(O)cc2s1 ZINC000899194110 1109239152 /nfs/dbraw/zinc/23/91/52/1109239152.db2.gz XVYXCTCSSNTHQG-CHIMOYNISA-N 0 0 333.409 3.000 10 10 EFCERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000899207699 1109246591 /nfs/dbraw/zinc/24/65/91/1109246591.db2.gz YVITZCQLEZPVTF-ZDUSSCGKSA-N 0 0 344.293 2.642 10 10 EFCERN CO[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000899207697 1109247065 /nfs/dbraw/zinc/24/70/65/1109247065.db2.gz YVITZCQLEZPVTF-CYBMUJFWSA-N 0 0 344.293 2.642 10 10 EFCERN Cc1cc(C(=O)Nc2n[nH]c3c2COCC3)c(C)n1-c1ccccn1 ZINC000899257750 1109263686 /nfs/dbraw/zinc/26/36/86/1109263686.db2.gz OPUCNOXEIPVHOV-UHFFFAOYSA-N 0 0 337.383 2.537 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OC2CCCC2)nc1 ZINC001626013718 1111117615 /nfs/dbraw/zinc/11/76/15/1111117615.db2.gz ZUGWLTXBYMQIMM-UHFFFAOYSA-N 0 0 342.395 2.673 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000920337619 1112338161 /nfs/dbraw/zinc/33/81/61/1112338161.db2.gz UDLVWPIGRZBWDJ-XQRVVYSFSA-N 0 0 333.369 2.874 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(OC)CCCCC3)CC2)cc1 ZINC000184890369 1119600409 /nfs/dbraw/zinc/60/04/09/1119600409.db2.gz CQBDVYZACLFGPV-UHFFFAOYSA-N 0 0 332.444 2.693 10 10 EFCERN COc1ccccc1/C=C/C=C1/SC(N2CCOCC2)=NC1=O ZINC000072856971 1120202240 /nfs/dbraw/zinc/20/22/40/1120202240.db2.gz GXEDKNBHXCJPNW-PXNAYESVSA-N 0 0 330.409 2.554 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC001299243571 1120698658 /nfs/dbraw/zinc/69/86/58/1120698658.db2.gz VZLLDZDYBIUABQ-JKSUJKDBSA-N 0 0 338.367 2.797 10 10 EFCERN CCc1nc(C2(NCc3cc(OC)c(OC)cc3O)CCCC2)no1 ZINC000160516806 529731481 /nfs/dbraw/zinc/73/14/81/529731481.db2.gz SRZFIVJPLSDNGU-UHFFFAOYSA-N 0 0 347.415 2.914 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCc2ccc(CO)c(F)c2)cc1F ZINC000171210967 529782015 /nfs/dbraw/zinc/78/20/15/529782015.db2.gz VRJCXJCSDWVTFL-UHFFFAOYSA-N 0 0 349.381 2.523 10 10 EFCERN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100572809 219101831 /nfs/dbraw/zinc/10/18/31/219101831.db2.gz HJLASCSOTBGJGV-XNTDXEJSSA-N 0 0 347.378 2.883 10 10 EFCERN COC(=O)CCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000040888373 213397384 /nfs/dbraw/zinc/39/73/84/213397384.db2.gz OWYLGJSUMVFKAP-XFXZXTDPSA-N 0 0 337.422 2.547 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000296221144 535260459 /nfs/dbraw/zinc/26/04/59/535260459.db2.gz WVVZKDPNKOGVMY-QAPCUYQASA-N 0 0 335.444 2.963 10 10 EFCERN O[C@@H]1CCOc2c(NCc3ccc(N4CCOCC4)cc3)cccc21 ZINC000184065427 239569840 /nfs/dbraw/zinc/56/98/40/239569840.db2.gz RCUQELKDKWKGMH-LJQANCHMSA-N 0 0 340.423 2.951 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1cc(OC)ccc1O ZINC000184129604 239570272 /nfs/dbraw/zinc/57/02/72/239570272.db2.gz KPJFMWXHOSUOPB-UHFFFAOYSA-N 0 0 342.395 2.548 10 10 EFCERN CCOc1cccc(CN2CCO[C@@H](c3cnn(CC)c3)C2)c1O ZINC000191712580 240002714 /nfs/dbraw/zinc/00/27/14/240002714.db2.gz RWIXHFVUYNIVRD-QGZVFWFLSA-N 0 0 331.416 2.581 10 10 EFCERN CC(C)c1nc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299723 240215191 /nfs/dbraw/zinc/21/51/91/240215191.db2.gz VZGFJSQWWGFZKF-GFCCVEGCSA-N 0 0 331.372 2.964 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000238130150 240250472 /nfs/dbraw/zinc/25/04/72/240250472.db2.gz ZLZUSBGFTFPKHE-AWEZNQCLSA-N 0 0 336.775 2.647 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000251588792 240304996 /nfs/dbraw/zinc/30/49/96/240304996.db2.gz FKQGXKCSECHQJM-RCCFBDPRSA-N 0 0 331.460 2.900 10 10 EFCERN C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000245809725 240261012 /nfs/dbraw/zinc/26/10/12/240261012.db2.gz ZELVSZBTMMVMHK-MNOVXSKESA-N 0 0 333.259 2.586 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000246609051 240270465 /nfs/dbraw/zinc/27/04/65/240270465.db2.gz BMSSAKSBASRFTQ-KSZLIROESA-N 0 0 331.460 2.852 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000246725454 240271989 /nfs/dbraw/zinc/27/19/89/240271989.db2.gz DJWBQAVBKAVZAJ-BRWVUGGUSA-N 0 0 331.460 2.708 10 10 EFCERN COc1cccc(CNC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1O ZINC000247663501 240283535 /nfs/dbraw/zinc/28/35/35/240283535.db2.gz YGORGKSCNFLXGU-JFIYKMOQSA-N 0 0 338.407 2.786 10 10 EFCERN Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263569447 240384645 /nfs/dbraw/zinc/38/46/45/240384645.db2.gz HNITYWHRPMQJDS-INIZCTEOSA-N 0 0 340.423 2.992 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cn[nH]c2)cc1F ZINC000270455023 240616957 /nfs/dbraw/zinc/61/69/57/240616957.db2.gz SOTNJLLKZAYWJK-LBPRGKRZSA-N 0 0 333.411 2.955 10 10 EFCERN CO[C@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294200196 241036137 /nfs/dbraw/zinc/03/61/37/241036137.db2.gz BQWFQIBRDYSSQV-APWZRJJASA-N 0 0 346.471 2.685 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn[nH]c1 ZINC000292288722 241028458 /nfs/dbraw/zinc/02/84/58/241028458.db2.gz XVNRTLRNBZJDQZ-UHFFFAOYSA-N 0 0 341.459 2.784 10 10 EFCERN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(OC)n1 ZINC000293980119 241031881 /nfs/dbraw/zinc/03/18/81/241031881.db2.gz RFBOZEARUTYRJS-UHFFFAOYSA-N 0 0 326.755 2.887 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]3COC)ccc21 ZINC000294396193 241044613 /nfs/dbraw/zinc/04/46/13/241044613.db2.gz QEOQLZHUEVIOCW-INIZCTEOSA-N 0 0 330.428 2.765 10 10 EFCERN Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccc(F)cc1 ZINC000299070899 241163981 /nfs/dbraw/zinc/16/39/81/241163981.db2.gz KKPCLVRAANUBMN-GFCCVEGCSA-N 0 0 341.390 2.643 10 10 EFCERN COc1cc2c(cc1F)ncnc2NCCc1ccc(O)c(O)c1 ZINC000302182854 241193315 /nfs/dbraw/zinc/19/33/15/241193315.db2.gz RKGFARCVLXDYHJ-UHFFFAOYSA-N 0 0 329.331 2.843 10 10 EFCERN CC(C)Oc1nccnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000302204792 241193553 /nfs/dbraw/zinc/19/35/53/241193553.db2.gz CROQTUOJHXWHKW-UHFFFAOYSA-N 0 0 346.406 2.852 10 10 EFCERN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000297537991 241124740 /nfs/dbraw/zinc/12/47/40/241124740.db2.gz ZTQOQYBZMBBVTG-GBJTYRQASA-N 0 0 349.450 2.989 10 10 EFCERN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862528 242309987 /nfs/dbraw/zinc/30/99/87/242309987.db2.gz QWHCCWODZPPZQO-MNOVXSKESA-N 0 0 345.798 2.727 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377973401 242517121 /nfs/dbraw/zinc/51/71/21/242517121.db2.gz BFMVISHXNCIGFR-FZMUQLTDSA-N 0 0 348.399 2.626 10 10 EFCERN Cc1ccc(SCC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000021024509 212200429 /nfs/dbraw/zinc/20/04/29/212200429.db2.gz DRKKFGCLDHZKQA-UHFFFAOYSA-N 0 0 339.420 2.954 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1[O-] ZINC000187735148 296162757 /nfs/dbraw/zinc/16/27/57/296162757.db2.gz MKORIRZQMNTYED-NEPJUHHUSA-N 0 0 336.386 2.724 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@H]2CC(F)F)c(C)n1-c1ccccn1 ZINC000286765788 291713697 /nfs/dbraw/zinc/71/36/97/291713697.db2.gz QFQFPCZYOMJNMU-CQSZACIVSA-N 0 0 349.381 2.985 10 10 EFCERN Cc1nc(CNC(=O)NCCCSc2nccs2)oc1C ZINC000095413414 218351529 /nfs/dbraw/zinc/35/15/29/218351529.db2.gz QPSWKDOSBXMNAT-UHFFFAOYSA-N 0 0 326.447 2.730 10 10 EFCERN COc1nc(C)nc(NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000159344009 533182047 /nfs/dbraw/zinc/18/20/47/533182047.db2.gz AARRNHFGZGWOFF-UHFFFAOYSA-N 0 0 346.406 2.690 10 10 EFCERN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273514731 287042160 /nfs/dbraw/zinc/04/21/60/287042160.db2.gz SHPBFQYDSFOHNG-MRVPVSSYSA-N 0 0 344.293 2.904 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040012 544540658 /nfs/dbraw/zinc/54/06/58/544540658.db2.gz ZEGZERWWGFGIEA-MSOLQXFVSA-N 0 0 330.428 2.670 10 10 EFCERN COC(=O)C=Cc1ccc(N2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000278811586 277047799 /nfs/dbraw/zinc/04/77/99/277047799.db2.gz ZLBJNVIQODJGAY-BRLPQQTGSA-N 0 0 342.355 2.846 10 10 EFCERN CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000365137913 278144828 /nfs/dbraw/zinc/14/48/28/278144828.db2.gz OAIJUBHXHPLZIE-CQSZACIVSA-N 0 0 330.388 2.725 10 10 EFCERN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000193092447 288045532 /nfs/dbraw/zinc/04/55/32/288045532.db2.gz ZNXLUGVTTVYLQL-BDJLRTHQSA-N 0 0 331.343 2.839 10 10 EFCERN CC[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCCO1 ZINC000281907677 288299924 /nfs/dbraw/zinc/29/99/24/288299924.db2.gz QANJNZMVKCCDTI-OWNNVSBGSA-N 0 0 334.372 2.786 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000137994852 473215011 /nfs/dbraw/zinc/21/50/11/473215011.db2.gz FNUDXNDWHCDTMI-HNAYVOBHSA-N 0 0 349.450 2.728 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCC3(C)COC3)c2C)cc1 ZINC000112693784 473295088 /nfs/dbraw/zinc/29/50/88/473295088.db2.gz JHPGXVBWWJOBFN-UHFFFAOYSA-N 0 0 328.412 2.869 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000177306850 473352466 /nfs/dbraw/zinc/35/24/66/473352466.db2.gz VIKYRSGXURJFRO-INIZCTEOSA-N 0 0 326.444 2.992 10 10 EFCERN COC(=O)/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000096298207 473372343 /nfs/dbraw/zinc/37/23/43/473372343.db2.gz JARGOYMQTHMMHM-VBKFSLOCSA-N 0 0 342.370 2.771 10 10 EFCERN Cc1ncccc1/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000171418577 473381947 /nfs/dbraw/zinc/38/19/47/473381947.db2.gz OFOWWUWZTPUVLW-LCYFTJDESA-N 0 0 334.335 2.952 10 10 EFCERN Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 ZINC000005764277 471520083 /nfs/dbraw/zinc/52/00/83/471520083.db2.gz BSDPSYPDEUCDSI-UKTHLTGXSA-N 0 0 348.405 2.537 10 10 EFCERN CCc1ccc(C(=O)NC2=N[C@@H](c3cccc(F)c3)CC(=O)N2)cc1 ZINC000006817842 471571837 /nfs/dbraw/zinc/57/18/37/471571837.db2.gz DOPIMWUXPVGOFL-MRXNPFEDSA-N 0 0 339.370 2.735 10 10 EFCERN O=C(NC1=N[C@@H](c2ccccc2F)CC(=O)N1)c1cccc(Cl)c1 ZINC000006817904 471572121 /nfs/dbraw/zinc/57/21/21/471572121.db2.gz GOVFWTSSEFLKGI-CQSZACIVSA-N 0 0 345.761 2.826 10 10 EFCERN O=C(NC1=N[C@H](c2ccccc2F)CC(=O)N1)c1cccc(Cl)c1 ZINC000006817902 471572159 /nfs/dbraw/zinc/57/21/59/471572159.db2.gz GOVFWTSSEFLKGI-AWEZNQCLSA-N 0 0 345.761 2.826 10 10 EFCERN O=C(NC1=N[C@@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccccc1F ZINC000006868855 471575530 /nfs/dbraw/zinc/57/55/30/471575530.db2.gz ZLLXUZYJVWFZIY-CQSZACIVSA-N 0 0 345.761 2.826 10 10 EFCERN COc1cc2c(c(OC)c1OC)C(=O)c1c(O)cc(C)cc1C2=O ZINC000014760785 471878521 /nfs/dbraw/zinc/87/85/21/471878521.db2.gz HBFIZFDPDDEBMN-UHFFFAOYSA-N 0 0 328.320 2.502 10 10 EFCERN CC1=CC2=NC(=O)/C(=C\c3ccc(O)c(Br)c3)C(=N)N2O1 ZINC000020236393 471987642 /nfs/dbraw/zinc/98/76/42/471987642.db2.gz CQDCLSNCSIOPET-BKCLFSJNSA-N 0 0 348.156 2.605 10 10 EFCERN O=C(NC1=N[C@@H](c2ccc(Cl)cc2)CC(=O)N1)c1cccc(F)c1 ZINC000020530763 471990532 /nfs/dbraw/zinc/99/05/32/471990532.db2.gz KGLBEZFNBHAOQY-CQSZACIVSA-N 0 0 345.761 2.826 10 10 EFCERN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2c(c1)OCCO2 ZINC000026456034 472137749 /nfs/dbraw/zinc/13/77/49/472137749.db2.gz GGKFFVGCBXKTOO-PTNGSMBKSA-N 0 0 330.409 2.914 10 10 EFCERN CN(C)c1ccc(CNC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000027344409 472171731 /nfs/dbraw/zinc/17/17/31/472171731.db2.gz RKUNANFITWOETG-UHFFFAOYSA-N 0 0 337.427 2.971 10 10 EFCERN Cc1cc(C(=O)OCCN2CCOC2=O)c(C)n1-c1ccccc1F ZINC000044951031 472356999 /nfs/dbraw/zinc/35/69/99/472356999.db2.gz QVPPNEQUXKASGK-UHFFFAOYSA-N 0 0 346.358 2.842 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N(C)C)c(C)c2)cnn1-c1ccccn1 ZINC000069702287 472403258 /nfs/dbraw/zinc/40/32/58/472403258.db2.gz DZNVONUKNSNYBF-UHFFFAOYSA-N 0 0 349.438 2.880 10 10 EFCERN CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)CC)c(F)c2)C1 ZINC000069737056 472411349 /nfs/dbraw/zinc/41/13/49/472411349.db2.gz SOEHNMCADSCGJN-OAHLLOKOSA-N 0 0 349.450 2.547 10 10 EFCERN CS[C@@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000154630591 472452751 /nfs/dbraw/zinc/45/27/51/472452751.db2.gz SFPRIEYIGSEHCV-SNVBAGLBSA-N 0 0 337.401 2.648 10 10 EFCERN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1O ZINC000032913759 472478902 /nfs/dbraw/zinc/47/89/02/472478902.db2.gz PANVVYYLNAKCJT-UHFFFAOYSA-N 0 0 334.397 2.768 10 10 EFCERN C[C@H]1CSc2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000616827342 479990618 /nfs/dbraw/zinc/99/06/18/479990618.db2.gz CNVJMCOIHMAWNS-LLVKDONJSA-N 0 0 339.420 2.965 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000089935945 472553248 /nfs/dbraw/zinc/55/32/48/472553248.db2.gz MBSKTFPOMVKGDE-CQSZACIVSA-N 0 0 335.448 2.626 10 10 EFCERN COC(=O)/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000071795723 472565996 /nfs/dbraw/zinc/56/59/96/472565996.db2.gz JARGOYMQTHMMHM-FOWTUZBSSA-N 0 0 342.370 2.771 10 10 EFCERN Cc1cc(C(=O)NCCc2nc(C)no2)c(C)n1-c1ccc(F)cc1 ZINC000119707389 472577564 /nfs/dbraw/zinc/57/75/64/472577564.db2.gz VWIMLYDIDJPAQP-UHFFFAOYSA-N 0 0 342.374 2.897 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000077734211 472597876 /nfs/dbraw/zinc/59/78/76/472597876.db2.gz LAERNJIZEVUMBE-OAHLLOKOSA-N 0 0 347.459 2.626 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2 ZINC000047155061 472662598 /nfs/dbraw/zinc/66/25/98/472662598.db2.gz MULGWMIDTWCTCR-GFCCVEGCSA-N 0 0 339.395 2.789 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000072526156 472672675 /nfs/dbraw/zinc/67/26/75/472672675.db2.gz VQIOVUDHUUYQOQ-HZPDHXFCSA-N 0 0 328.416 2.914 10 10 EFCERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000120403473 472682807 /nfs/dbraw/zinc/68/28/07/472682807.db2.gz ZZGWEOQNTXWGFK-QGZVFWFLSA-N 0 0 343.402 2.584 10 10 EFCERN Cc1ncc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000120421720 472685290 /nfs/dbraw/zinc/68/52/90/472685290.db2.gz DXTJKYRQCDVGBK-UHFFFAOYSA-N 0 0 330.501 2.835 10 10 EFCERN CCOc1cccc(CN2CCN(Cc3cnc(C)s3)CC2)c1O ZINC000120438419 472689705 /nfs/dbraw/zinc/68/97/05/472689705.db2.gz YDGHPWZIKQNZQW-UHFFFAOYSA-N 0 0 347.484 2.874 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)COC ZINC000120988179 472780062 /nfs/dbraw/zinc/78/00/62/472780062.db2.gz CMJIAXJTFTUOJZ-JTQLQIEISA-N 0 0 330.222 2.786 10 10 EFCERN COc1cccc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)c1O ZINC000157250624 472800636 /nfs/dbraw/zinc/80/06/36/472800636.db2.gz OGPVRKILUDXXHB-UHFFFAOYSA-N 0 0 347.484 2.874 10 10 EFCERN C[N@H+](Cc1cc(Cl)ccc1O)C1CCN(CCn2cccn2)CC1 ZINC000121209977 472816775 /nfs/dbraw/zinc/81/67/75/472816775.db2.gz MSSVKWYAGXUYML-UHFFFAOYSA-N 0 0 348.878 2.839 10 10 EFCERN CCc1noc([C@H](C)N2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000121348378 472838231 /nfs/dbraw/zinc/83/82/31/472838231.db2.gz SPLBMHQBFDYXJR-HNNXBMFYSA-N 0 0 343.475 2.577 10 10 EFCERN CCCC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079410066 472860362 /nfs/dbraw/zinc/86/03/62/472860362.db2.gz NMFJUXBSIKURHB-HNNXBMFYSA-N 0 0 336.407 2.615 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134129148 472877076 /nfs/dbraw/zinc/87/70/76/472877076.db2.gz OOVOSTYUSYUAFH-ZDUSSCGKSA-N 0 0 331.243 2.606 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(C3)CCCO4)ccc21 ZINC000628785709 480019547 /nfs/dbraw/zinc/01/95/47/480019547.db2.gz JGUAJQGFTRXBQL-UHFFFAOYSA-N 0 0 342.439 2.910 10 10 EFCERN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)on1 ZINC000065541414 472970601 /nfs/dbraw/zinc/97/06/01/472970601.db2.gz NSOUTUBEXXLKTC-CQSZACIVSA-N 0 0 331.372 2.902 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000108248924 473009639 /nfs/dbraw/zinc/00/96/39/473009639.db2.gz VCWYEIOTDSJCJY-MRXNPFEDSA-N 0 0 342.420 2.854 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000074892790 473089107 /nfs/dbraw/zinc/08/91/07/473089107.db2.gz NVPRLDFUNYZRLF-CVEARBPZSA-N 0 0 344.415 2.580 10 10 EFCERN Cc1ccn2ncc(C(=O)NCc3c(O)ccc4c3CCCC4)c2n1 ZINC000075159595 473142166 /nfs/dbraw/zinc/14/21/66/473142166.db2.gz XTKILUYKVJMYBT-UHFFFAOYSA-N 0 0 336.395 2.552 10 10 EFCERN CC[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123552277 473155807 /nfs/dbraw/zinc/15/58/07/473155807.db2.gz IFNCNQZVHZKAHZ-CYBMUJFWSA-N 0 0 333.259 2.588 10 10 EFCERN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000185407686 473418374 /nfs/dbraw/zinc/41/83/74/473418374.db2.gz MNJRRBWEMVQRAB-DYVFJYSZSA-N 0 0 330.403 2.881 10 10 EFCERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C12CCOCC2 ZINC000185669446 473484635 /nfs/dbraw/zinc/48/46/35/473484635.db2.gz IQDDRHYVFLMBRB-DLBZAZTESA-N 0 0 348.443 2.508 10 10 EFCERN CCOc1cccc(CN2CCN(c3cccs3)C(=O)C2)c1O ZINC000185671133 473485799 /nfs/dbraw/zinc/48/57/99/473485799.db2.gz YVVSFQLJWDVJQP-UHFFFAOYSA-N 0 0 332.425 2.701 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c(C)n1-c1ccccn1 ZINC000178328854 473491153 /nfs/dbraw/zinc/49/11/53/473491153.db2.gz WEEGEXLSJKPWSM-UYAOXDASSA-N 0 0 347.418 2.877 10 10 EFCERN Oc1cc2c(cc1CNCc1ncc(-c3ccccc3)cn1)OCO2 ZINC000185865409 473533014 /nfs/dbraw/zinc/53/30/14/473533014.db2.gz JSKVURSNUZDJMQ-UHFFFAOYSA-N 0 0 335.363 2.868 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000178685786 473545074 /nfs/dbraw/zinc/54/50/74/473545074.db2.gz ZLAIZPUKWAEMLD-AWEZNQCLSA-N 0 0 341.459 2.749 10 10 EFCERN COC(=O)CCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127949480 473666097 /nfs/dbraw/zinc/66/60/97/473666097.db2.gz IPGODZBDOZQXGA-UHFFFAOYSA-N 0 0 345.443 2.595 10 10 EFCERN Cc1cc(Cl)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000179710822 473711788 /nfs/dbraw/zinc/71/17/88/473711788.db2.gz HHYLTSZVJZUSOX-CQSZACIVSA-N 0 0 329.849 2.506 10 10 EFCERN C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccccc1O ZINC000186662393 473717882 /nfs/dbraw/zinc/71/78/82/473717882.db2.gz YQJCWIYNYWESFU-LBPRGKRZSA-N 0 0 332.425 2.887 10 10 EFCERN COc1ccc(O)c(CN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000179880060 473747727 /nfs/dbraw/zinc/74/77/27/473747727.db2.gz XQZYPPUIGUFVDY-UHFFFAOYSA-N 0 0 332.444 2.625 10 10 EFCERN Oc1ccc(F)cc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000180097328 473796982 /nfs/dbraw/zinc/79/69/82/473796982.db2.gz VCQUXHRBZKFISA-UHFFFAOYSA-N 0 0 327.359 2.995 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000180109434 473802640 /nfs/dbraw/zinc/80/26/40/473802640.db2.gz YFOFLUYDLUFLIM-QGZVFWFLSA-N 0 0 347.438 2.672 10 10 EFCERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187498159 473878016 /nfs/dbraw/zinc/87/80/16/473878016.db2.gz FKNYYLDDJXLUNC-JKSUJKDBSA-N 0 0 334.435 2.695 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C ZINC000187564903 473886483 /nfs/dbraw/zinc/88/64/83/473886483.db2.gz WFLCUBIEKSBCND-YJBOKZPZSA-N 0 0 329.444 2.629 10 10 EFCERN COc1ccc(C[C@H](C)NC(=O)NCc2ccccc2O)cc1OC ZINC000264349621 473961181 /nfs/dbraw/zinc/96/11/81/473961181.db2.gz BBTKDOSWWGDKDS-ZDUSSCGKSA-N 0 0 344.411 2.840 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000180865748 473977442 /nfs/dbraw/zinc/97/74/42/473977442.db2.gz ZWXQFJHNYJMNOU-CSPWOOARSA-N 0 0 331.393 2.773 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000274911215 474010986 /nfs/dbraw/zinc/01/09/86/474010986.db2.gz IYXYWOZQJAHUIV-BTDLBPIBSA-N 0 0 347.798 2.802 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000181191494 474015612 /nfs/dbraw/zinc/01/56/12/474015612.db2.gz YVIJNIOFUQEEDT-ICTCPBKTSA-N 0 0 331.393 2.773 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000264978668 474163186 /nfs/dbraw/zinc/16/31/86/474163186.db2.gz CUNTZLNUBFUBQQ-HNNXBMFYSA-N 0 0 331.460 2.901 10 10 EFCERN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000182477266 474185336 /nfs/dbraw/zinc/18/53/36/474185336.db2.gz APQXZTTYXCCMQL-HNNXBMFYSA-N 0 0 340.423 2.753 10 10 EFCERN CCc1nc(C2(NC(=O)c3ccc(C)c(O)c3O)CCCC2)no1 ZINC000182555290 474204987 /nfs/dbraw/zinc/20/49/87/474204987.db2.gz OLJUSGWFVQBCFW-UHFFFAOYSA-N 0 0 331.372 2.551 10 10 EFCERN COC(=O)C1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000182738631 474246327 /nfs/dbraw/zinc/24/63/27/474246327.db2.gz QPAARAMSJFVAOQ-UHFFFAOYSA-N 0 0 345.439 2.867 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC=C(Br)C2)cc1 ZINC000283086879 474297785 /nfs/dbraw/zinc/29/77/85/474297785.db2.gz VCVMMCYHYXCDKR-UHFFFAOYSA-N 0 0 338.249 2.947 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1COC(=O)N1 ZINC000283441304 474404228 /nfs/dbraw/zinc/40/42/28/474404228.db2.gz NJRHLTWUWGQTOW-CJNGLKHVSA-N 0 0 340.379 2.590 10 10 EFCERN Cc1cc(C=CC(=O)NCCc2nnc[nH]2)c(C)n1-c1ccc(C)cc1 ZINC000266096150 474418793 /nfs/dbraw/zinc/41/87/93/474418793.db2.gz JFNWRYHBPBKQDO-RMKNXTFCSA-N 0 0 349.438 2.893 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3c(F)cccc3OC)CC2)cc1 ZINC000266765704 474475238 /nfs/dbraw/zinc/47/52/38/474475238.db2.gz HVICPWJIIGIYIY-UHFFFAOYSA-N 0 0 344.386 2.805 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1cccc(OC)c1O ZINC000184132831 474475589 /nfs/dbraw/zinc/47/55/89/474475589.db2.gz QQURPLODJCTPGK-UHFFFAOYSA-N 0 0 342.395 2.548 10 10 EFCERN O=C(/C=C/c1cncc(O)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189863431 474495559 /nfs/dbraw/zinc/49/55/59/474495559.db2.gz FZDDJGQEXFSMGL-AATRIKPKSA-N 0 0 336.391 2.895 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000289998089 474519783 /nfs/dbraw/zinc/51/97/83/474519783.db2.gz CTNVDTYGZCRZBM-NHYWBVRUSA-N 0 0 332.356 2.521 10 10 EFCERN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000284169699 474587335 /nfs/dbraw/zinc/58/73/35/474587335.db2.gz WWIZNRLJRZONTO-WCQYABFASA-N 0 0 336.259 2.947 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000291031578 474590498 /nfs/dbraw/zinc/59/04/98/474590498.db2.gz XFKBPLNWOHMKFD-OAHLLOKOSA-N 0 0 330.359 2.676 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000278246112 474605099 /nfs/dbraw/zinc/60/50/99/474605099.db2.gz UITHAVGHRHVUIB-AWEZNQCLSA-N 0 0 345.296 2.861 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000272705339 474622860 /nfs/dbraw/zinc/62/28/60/474622860.db2.gz WXFAZCJJXCVAFU-KWEXDPCDSA-N 0 0 349.452 2.672 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1ncn2C1CC1 ZINC000292892046 474699618 /nfs/dbraw/zinc/69/96/18/474699618.db2.gz ZZPCGFOOJZURAJ-SNVBAGLBSA-N 0 0 325.372 2.616 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555741 474701868 /nfs/dbraw/zinc/70/18/68/474701868.db2.gz AOHFAVDISHUWFG-SWLSCSKDSA-N 0 0 346.387 2.589 10 10 EFCERN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)n(C)n1 ZINC000278584912 474719718 /nfs/dbraw/zinc/71/97/18/474719718.db2.gz YMFHATLRAAOXGI-UKRRQHHQSA-N 0 0 332.423 2.893 10 10 EFCERN CC(=O)N(C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000278588696 474721084 /nfs/dbraw/zinc/72/10/84/474721084.db2.gz TUCRZXNXCQENQX-UHFFFAOYSA-N 0 0 325.412 2.665 10 10 EFCERN COC[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000292950493 474732021 /nfs/dbraw/zinc/73/20/21/474732021.db2.gz FVSBHWRAWGJPCX-SFHVURJKSA-N 0 0 331.460 2.853 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278604154 474732289 /nfs/dbraw/zinc/73/22/89/474732289.db2.gz FBSYZDSKQPZZFN-AWEZNQCLSA-N 0 0 343.393 2.643 10 10 EFCERN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000278745275 474810377 /nfs/dbraw/zinc/81/03/77/474810377.db2.gz QSMNXQUHMVTKFM-UHFFFAOYSA-N 0 0 336.413 2.658 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000273363785 474860529 /nfs/dbraw/zinc/86/05/29/474860529.db2.gz DPNSMXJYCCJKDA-YVEFUNNKSA-N 0 0 345.395 2.572 10 10 EFCERN Cc1cc(Cl)cc(CN(C)Cc2ncnn2CC(F)F)c1O ZINC000279027082 474955620 /nfs/dbraw/zinc/95/56/20/474955620.db2.gz NCHWEYDLTQKONR-UHFFFAOYSA-N 0 0 330.766 2.843 10 10 EFCERN O=C(NCC1CCN(c2ccccc2)CC1)c1cccc(O)c1O ZINC000279625286 474983961 /nfs/dbraw/zinc/98/39/61/474983961.db2.gz CVTHGYLLTVDJCF-UHFFFAOYSA-N 0 0 326.396 2.744 10 10 EFCERN COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285369720 474993583 /nfs/dbraw/zinc/99/35/83/474993583.db2.gz ARYJRFNCLLYJTE-SFHVURJKSA-N 0 0 334.460 2.543 10 10 EFCERN Cc1cccnc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273628155 474998235 /nfs/dbraw/zinc/99/82/35/474998235.db2.gz WSJKTUOLYXFFRR-CMDGGOBGSA-N 0 0 337.423 2.556 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC=C(c3ccnn3C)CC2)c1O ZINC000285493611 475028507 /nfs/dbraw/zinc/02/85/07/475028507.db2.gz DTECEIVONUFTDD-UHFFFAOYSA-N 0 0 329.375 2.757 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280613471 475038630 /nfs/dbraw/zinc/03/86/30/475038630.db2.gz VZQHWCJDBVVQET-SFHVURJKSA-N 0 0 337.391 2.504 10 10 EFCERN CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293573883 475039870 /nfs/dbraw/zinc/03/98/70/475039870.db2.gz JEQLQVUWIAVJDX-JQWIXIFHSA-N 0 0 328.815 2.921 10 10 EFCERN Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1C(C)C ZINC000293866096 475055062 /nfs/dbraw/zinc/05/50/62/475055062.db2.gz ZWDSGUJFCRXOIO-UHFFFAOYSA-N 0 0 328.416 2.682 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000294660900 475077863 /nfs/dbraw/zinc/07/78/63/475077863.db2.gz LMSNAGLKUFZVBM-UHFFFAOYSA-N 0 0 348.603 2.934 10 10 EFCERN Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)CO ZINC000294957396 475093717 /nfs/dbraw/zinc/09/37/17/475093717.db2.gz DMZASLQXZYKHQE-AWEZNQCLSA-N 0 0 341.814 2.768 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cncc(Cl)c1 ZINC000294972449 475095429 /nfs/dbraw/zinc/09/54/29/475095429.db2.gz XMRWPQKPGVJUHG-UHFFFAOYSA-N 0 0 349.793 2.641 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000287226489 475100208 /nfs/dbraw/zinc/10/02/08/475100208.db2.gz FTEVWBQUYQKDQS-OAHLLOKOSA-N 0 0 345.487 2.796 10 10 EFCERN COc1cc(NS(=O)(=O)C[C@H](OC)c2ccccc2)ccc1O ZINC000295225961 475112558 /nfs/dbraw/zinc/11/25/58/475112558.db2.gz RYEPZXRQZLGSJQ-INIZCTEOSA-N 0 0 337.397 2.530 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1C(=O)CC2 ZINC000631559874 480155183 /nfs/dbraw/zinc/15/51/83/480155183.db2.gz LJFYFTWXXBCZLB-UHFFFAOYSA-N 0 0 336.391 2.921 10 10 EFCERN CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)F ZINC000297510454 475788932 /nfs/dbraw/zinc/78/89/32/475788932.db2.gz XRISJDLDTUINSO-HUUCEWRRSA-N 0 0 343.418 2.737 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](c4ccccc4)C3)cc2N1 ZINC000301669887 476175139 /nfs/dbraw/zinc/17/51/39/476175139.db2.gz DWBIJLUDOABZKV-ZDUSSCGKSA-N 0 0 339.351 2.920 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000368629352 476361432 /nfs/dbraw/zinc/36/14/32/476361432.db2.gz ZHNYUQYIRAYUBI-OAHLLOKOSA-N 0 0 341.459 2.613 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c(O)c1 ZINC000373670541 476419469 /nfs/dbraw/zinc/41/94/69/476419469.db2.gz SKNDEXMBAFIBMC-MRXNPFEDSA-N 0 0 333.771 2.674 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000369482600 476420864 /nfs/dbraw/zinc/42/08/64/476420864.db2.gz CJONRWYXONHACC-SFHVURJKSA-N 0 0 328.460 2.676 10 10 EFCERN O=C([C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1)N1CCCCC1 ZINC000373900144 476438543 /nfs/dbraw/zinc/43/85/43/476438543.db2.gz OFGXMXHQDSTWTJ-HIFRSBDPSA-N 0 0 347.415 2.571 10 10 EFCERN CCOc1ccc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369681485 476475388 /nfs/dbraw/zinc/47/53/88/476475388.db2.gz MHZIDLSBRGMPIA-UHFFFAOYSA-N 0 0 329.400 2.624 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(n2ccnn2)C1 ZINC000374803846 476536124 /nfs/dbraw/zinc/53/61/24/476536124.db2.gz XLQXKTZFYPAWIK-UHFFFAOYSA-N 0 0 335.411 2.691 10 10 EFCERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000374997164 476626774 /nfs/dbraw/zinc/62/67/74/476626774.db2.gz SEVSITHVZJDOKT-LQDVMPOASA-N 0 0 341.411 2.765 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(C1)CCCOC2 ZINC000375118330 476681544 /nfs/dbraw/zinc/68/15/44/476681544.db2.gz XDJNYSJDNOPCTL-HXUWFJFHSA-N 0 0 341.455 2.775 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000375205991 476716760 /nfs/dbraw/zinc/71/67/60/476716760.db2.gz GAVQDWIGIMZHQS-GQCTYLIASA-N 0 0 346.383 2.788 10 10 EFCERN CCOc1cccc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000375262160 476744623 /nfs/dbraw/zinc/74/46/23/476744623.db2.gz OKFPIVBRUNMDAN-MRXNPFEDSA-N 0 0 345.443 2.715 10 10 EFCERN CCOc1cccc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000375262159 476744811 /nfs/dbraw/zinc/74/48/11/476744811.db2.gz OKFPIVBRUNMDAN-INIZCTEOSA-N 0 0 345.443 2.715 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](C2CC2)C1 ZINC000375325982 476781414 /nfs/dbraw/zinc/78/14/14/476781414.db2.gz BRELSZOFQMPDOX-GOSISDBHSA-N 0 0 329.444 2.607 10 10 EFCERN Cc1cc(C(=O)N2CCC[C@H]3OCC[C@H]32)c(C)n1-c1ccccn1 ZINC000366541964 477060808 /nfs/dbraw/zinc/06/08/08/477060808.db2.gz HVAXMVGAKJLXEB-IAGOWNOFSA-N 0 0 325.412 2.883 10 10 EFCERN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376673132 477454835 /nfs/dbraw/zinc/45/48/35/477454835.db2.gz PTKQJCWAWXDHBX-YOEHRIQHSA-N 0 0 341.835 2.824 10 10 EFCERN Nc1nccc([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000368041893 477780270 /nfs/dbraw/zinc/78/02/70/477780270.db2.gz MEORVNQFPLVSCC-SNVBAGLBSA-N 0 0 336.798 2.767 10 10 EFCERN Nc1nccc([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000368041892 477780504 /nfs/dbraw/zinc/78/05/04/477780504.db2.gz MEORVNQFPLVSCC-JTQLQIEISA-N 0 0 336.798 2.767 10 10 EFCERN Cc1ccnc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1 ZINC000368317710 477798631 /nfs/dbraw/zinc/79/86/31/477798631.db2.gz YMFHWWGNKLTAIA-UHFFFAOYSA-N 0 0 327.384 2.524 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)cc1 ZINC000368421109 477805587 /nfs/dbraw/zinc/80/55/87/477805587.db2.gz YFIFPCGOVYXJSE-INIZCTEOSA-N 0 0 334.366 2.936 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000525730775 478395032 /nfs/dbraw/zinc/39/50/32/478395032.db2.gz JUWZKEWPRQXRQC-UHFFFAOYSA-N 0 0 338.367 2.775 10 10 EFCERN CCCn1nccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000542923501 478708581 /nfs/dbraw/zinc/70/85/81/478708581.db2.gz JVOBROOGNLORGB-UHFFFAOYSA-N 0 0 329.404 2.790 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1C1CCOCC1 ZINC000528829218 478951462 /nfs/dbraw/zinc/95/14/62/478951462.db2.gz WHWYXHRQZSTPKV-UHFFFAOYSA-N 0 0 329.400 2.521 10 10 EFCERN O=C(NCc1ccccc1O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528852766 478961845 /nfs/dbraw/zinc/96/18/45/478961845.db2.gz CUWVPLOVTOMILH-UHFFFAOYSA-N 0 0 339.317 2.874 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@]2(C)Br)c1 ZINC000528862410 478964092 /nfs/dbraw/zinc/96/40/92/478964092.db2.gz QIMBWINTNDUJDN-YLGCSUCGSA-N 0 0 328.206 2.752 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)c1 ZINC000528862825 478964283 /nfs/dbraw/zinc/96/42/83/478964283.db2.gz NYOIHKUFCQXQIO-OAHLLOKOSA-N 0 0 344.411 2.711 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@]2(C)Br)c1 ZINC000528862406 478964397 /nfs/dbraw/zinc/96/43/97/478964397.db2.gz QIMBWINTNDUJDN-UPLXVJCVSA-N 0 0 328.206 2.752 10 10 EFCERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529387146 479142220 /nfs/dbraw/zinc/14/22/20/479142220.db2.gz KKMPVVLYNLASHY-LFNDISMMSA-N 0 0 342.233 2.830 10 10 EFCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529387149 479143220 /nfs/dbraw/zinc/14/32/20/479143220.db2.gz KKMPVVLYNLASHY-QOBXEIRBSA-N 0 0 342.233 2.830 10 10 EFCERN O=S(=O)(Nc1cc(F)cc(F)c1F)c1cccc2nsnc21 ZINC000644851336 480608608 /nfs/dbraw/zinc/60/86/08/480608608.db2.gz BRIAPUQHLAQJOT-UHFFFAOYSA-N 0 0 345.327 2.909 10 10 EFCERN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCOC[C@H]3C3CC3)cc12 ZINC000643272782 481380008 /nfs/dbraw/zinc/38/00/08/481380008.db2.gz YUSVKOPCPOQEMZ-IBGZPJMESA-N 0 0 342.439 2.811 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000648803544 481754650 /nfs/dbraw/zinc/75/46/50/481754650.db2.gz ZUDJRGTWPXEGLQ-CQSZACIVSA-N 0 0 342.443 2.888 10 10 EFCERN Fc1cc(CNc2ccnc(C3CC3)n2)ccc1N1CCOCC1 ZINC000110242957 534442841 /nfs/dbraw/zinc/44/28/41/534442841.db2.gz KVASCWWYWNAUQO-UHFFFAOYSA-N 0 0 328.391 2.942 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@H](CO)C1 ZINC000298478848 526680670 /nfs/dbraw/zinc/68/06/70/526680670.db2.gz ZSMIXJLQOWOUKK-IRXDYDNUSA-N 0 0 331.460 2.637 10 10 EFCERN CC1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000176653914 527958905 /nfs/dbraw/zinc/95/89/05/527958905.db2.gz RUHQRQKVJMCRIS-UHFFFAOYSA-N 0 0 335.423 2.652 10 10 EFCERN CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000066153931 528075675 /nfs/dbraw/zinc/07/56/75/528075675.db2.gz ZXTQSRXKWZVWSQ-UHFFFAOYSA-N 0 0 325.412 2.932 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000161837233 528147123 /nfs/dbraw/zinc/14/71/23/528147123.db2.gz GIURUCGXAKHFJH-UHFFFAOYSA-N 0 0 329.400 2.843 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCn2cc(C)cn2)cc1 ZINC000172277727 528304192 /nfs/dbraw/zinc/30/41/92/528304192.db2.gz DENAKYJNZBZYRU-UHFFFAOYSA-N 0 0 329.448 2.537 10 10 EFCERN CC1(C)OCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298212983 534998145 /nfs/dbraw/zinc/99/81/45/534998145.db2.gz UWEJNCPKOAYUPK-DOTOQJQBSA-N 0 0 348.443 2.650 10 10 EFCERN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1[O-] ZINC000367616381 535808238 /nfs/dbraw/zinc/80/82/38/535808238.db2.gz OBJCRSOPAXURDW-RHSMWYFYSA-N 0 0 332.423 2.975 10 10 EFCERN CCn1nnc(C)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294329280 535909486 /nfs/dbraw/zinc/90/94/86/535909486.db2.gz HXUAHYLWJDPHJQ-UHFFFAOYSA-N 0 0 341.459 2.869 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)ccc21 ZINC000247663582 536396062 /nfs/dbraw/zinc/39/60/62/536396062.db2.gz XTSKEZJPEUXDCQ-SCTDSRPQSA-N 0 0 343.471 2.826 10 10 EFCERN COc1cc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)ccc1O ZINC000014644839 560223645 /nfs/dbraw/zinc/22/36/45/560223645.db2.gz LRUIASUJJNMESX-UHFFFAOYSA-N 0 0 330.292 2.594 10 10 biogenic,in-vitro EFCERN COC(=O)CN(CC[C@@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000754067101 575383631 /nfs/dbraw/zinc/38/36/31/575383631.db2.gz NLAKSJCRWVPCIF-HNNXBMFYSA-N 0 0 341.835 2.980 10 10 EFCERN COC(=O)CN(CC[C@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000754067110 575383704 /nfs/dbraw/zinc/38/37/04/575383704.db2.gz NLAKSJCRWVPCIF-OAHLLOKOSA-N 0 0 341.835 2.980 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000756350785 575721672 /nfs/dbraw/zinc/72/16/72/575721672.db2.gz FVSAHNZCPRKRQT-GXTWGEPZSA-N 0 0 343.379 2.669 10 10 EFCERN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Br)c(F)cc1[O-] ZINC000756486801 575747330 /nfs/dbraw/zinc/74/73/30/575747330.db2.gz HRJVKBUTCBCANK-DTWKUNHWSA-N 0 0 343.200 2.625 10 10 EFCERN COc1cccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2=O)c1 ZINC000756515368 575752784 /nfs/dbraw/zinc/75/27/84/575752784.db2.gz MABMIPFFIKYKGR-JSGCOSHPSA-N 0 0 344.386 2.996 10 10 EFCERN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756533551 575756628 /nfs/dbraw/zinc/75/66/28/575756628.db2.gz JBDPSDCIJYNDQZ-NSHDSACASA-N 0 0 339.392 2.866 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736605 575782360 /nfs/dbraw/zinc/78/23/60/575782360.db2.gz ORVBDIUPNCGANH-FZMZJTMJSA-N 0 0 335.425 2.933 10 10 EFCERN CCN(C(=O)C1=CC(=O)CS1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756787633 575786562 /nfs/dbraw/zinc/78/65/62/575786562.db2.gz RGTFCLGDYDCWRN-UHFFFAOYSA-N 0 0 326.418 2.535 10 10 EFCERN COC(=O)c1ccc(NCc2cccc(Br)c2O)cn1 ZINC000758470533 575870543 /nfs/dbraw/zinc/87/05/43/575870543.db2.gz KHPUCANREYRGQA-UHFFFAOYSA-N 0 0 337.173 2.948 10 10 EFCERN COc1ccc(-c2nnc(COC(=O)c3cccc(O)c3O)o2)cc1 ZINC000758570796 575873016 /nfs/dbraw/zinc/87/30/16/575873016.db2.gz ADGCHUSESZJEHI-UHFFFAOYSA-N 0 0 342.307 2.513 10 10 EFCERN Cc1cccc(-c2noc(COC(=O)c3cccc(O)c3O)n2)c1 ZINC000758570808 575873027 /nfs/dbraw/zinc/87/30/27/575873027.db2.gz AKPCJZRJOVLJQV-UHFFFAOYSA-N 0 0 326.308 2.813 10 10 EFCERN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc2c(cc1O)CCC2 ZINC000758990647 575882174 /nfs/dbraw/zinc/88/21/74/575882174.db2.gz JOFUFVCYLOGBEL-HXUWFJFHSA-N 0 0 336.435 2.862 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cc2OC)OCO3)c1 ZINC000759958784 575962408 /nfs/dbraw/zinc/96/24/08/575962408.db2.gz QJTJFXUQPCXFIF-SNVBAGLBSA-N 0 0 345.351 2.629 10 10 EFCERN C[C@H](NC(=O)NCc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000760916451 576087347 /nfs/dbraw/zinc/08/73/47/576087347.db2.gz QYHWXCORRCACND-ZDUSSCGKSA-N 0 0 337.383 2.533 10 10 EFCERN Cc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1 ZINC000761053284 576105801 /nfs/dbraw/zinc/10/58/01/576105801.db2.gz WFTQCDKGDCWOAQ-UHFFFAOYSA-N 0 0 331.759 2.718 10 10 EFCERN Cc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000761062513 576107772 /nfs/dbraw/zinc/10/77/72/576107772.db2.gz QVYZAIJWDSWLBO-UHFFFAOYSA-N 0 0 345.786 2.713 10 10 EFCERN CC=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O ZINC000761096684 576112883 /nfs/dbraw/zinc/11/28/83/576112883.db2.gz DRHLUFMSDYWZOI-YPQKKHBXSA-N 0 0 345.468 2.626 10 10 EFCERN CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)cc(OC)c1O ZINC000761215838 576130733 /nfs/dbraw/zinc/13/07/33/576130733.db2.gz MOZMZVKLIMHLIL-ZDUSSCGKSA-N 0 0 327.808 2.876 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)CN(C3CCC3)C2=O)cc1F ZINC000761253958 576136386 /nfs/dbraw/zinc/13/63/86/576136386.db2.gz UDOOAHZGDFZLAX-UHFFFAOYSA-N 0 0 333.407 2.989 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1CCCSc1nccs1 ZINC000761303395 576143565 /nfs/dbraw/zinc/14/35/65/576143565.db2.gz ZZSOITBVNQRECE-WOPDTQHZSA-N 0 0 337.470 2.688 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1CCCSc1nccs1 ZINC000761303385 576143604 /nfs/dbraw/zinc/14/36/04/576143604.db2.gz ZZSOITBVNQRECE-SRVKXCTJSA-N 0 0 337.470 2.688 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761361302 576151072 /nfs/dbraw/zinc/15/10/72/576151072.db2.gz LUTKRCXAWQRRRE-SZMVWBNQSA-N 0 0 337.423 2.626 10 10 EFCERN Cc1cccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000761883779 576225016 /nfs/dbraw/zinc/22/50/16/576225016.db2.gz LUOVKSZRRPQLCM-UHFFFAOYSA-N 0 0 327.340 2.871 10 10 EFCERN CN(CCc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761895841 576226699 /nfs/dbraw/zinc/22/66/99/576226699.db2.gz YVGRNSXBQJAKCK-UHFFFAOYSA-N 0 0 345.330 2.744 10 10 EFCERN Cc1cc(C(=O)N2CCOc3ncccc3C2)c(C)n1-c1ccccn1 ZINC000763218377 576367755 /nfs/dbraw/zinc/36/77/55/576367755.db2.gz HTVLMKHAWILCKV-UHFFFAOYSA-N 0 0 348.406 2.919 10 10 EFCERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(C)c(C)cc1O ZINC000763480372 576378818 /nfs/dbraw/zinc/37/88/18/576378818.db2.gz MOLIBCITFIDZQP-KRWDZBQOSA-N 0 0 328.412 2.668 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(N)=O)nc2)cc1 ZINC000764393922 576454284 /nfs/dbraw/zinc/45/42/84/576454284.db2.gz WALIJAIWIQZQTJ-UHFFFAOYSA-N 0 0 334.379 2.840 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cncnc2)cc1F ZINC000764504719 576466560 /nfs/dbraw/zinc/46/65/60/576466560.db2.gz DVQFKHUCZGLNLQ-ZDUSSCGKSA-N 0 0 330.407 2.882 10 10 EFCERN Cc1cc(CCNC(=O)[C@H](O)c2cccnc2)c(C)n1-c1ccccc1 ZINC000764641937 576483630 /nfs/dbraw/zinc/48/36/30/576483630.db2.gz PHVYAXZDYCVULL-HXUWFJFHSA-N 0 0 349.434 2.881 10 10 EFCERN Cc1cc(CCNC(=O)[C@@H](O)c2cccnc2)c(C)n1-c1ccccc1 ZINC000764641886 576483667 /nfs/dbraw/zinc/48/36/67/576483667.db2.gz PHVYAXZDYCVULL-FQEVSTJZSA-N 0 0 349.434 2.881 10 10 EFCERN CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765002327 576535279 /nfs/dbraw/zinc/53/52/79/576535279.db2.gz ZWTJUDFRGPXAEX-DOTOQJQBSA-N 0 0 345.487 2.687 10 10 EFCERN CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(O)cc1 ZINC000765974037 577094317 /nfs/dbraw/zinc/09/43/17/577094317.db2.gz MTRHSLCRLGPQNS-SFHVURJKSA-N 0 0 328.412 2.804 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccn(C)n1 ZINC000766269772 577129120 /nfs/dbraw/zinc/12/91/20/577129120.db2.gz QAQFYRDOGRHWPG-UHFFFAOYSA-N 0 0 329.448 2.606 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)O[C@H]1CCCNC1=O ZINC000767311206 577203534 /nfs/dbraw/zinc/20/35/34/577203534.db2.gz XHMLCGLARNGZQE-KRWDZBQOSA-N 0 0 326.396 2.838 10 10 EFCERN Cc1cc(CC(=O)NC2(CO)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000767858743 577238657 /nfs/dbraw/zinc/23/86/57/577238657.db2.gz ZKPYXLBMPXSFIC-UHFFFAOYSA-N 0 0 332.831 2.931 10 10 EFCERN COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)CC2=O)c1 ZINC000725853357 577251190 /nfs/dbraw/zinc/25/11/90/577251190.db2.gz POCXPAOGFPCCKN-INIZCTEOSA-N 0 0 340.423 2.907 10 10 EFCERN COc1cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c(O)cc1C ZINC000768442631 577273817 /nfs/dbraw/zinc/27/38/17/577273817.db2.gz XDVIGXKYGCUANY-UHFFFAOYSA-N 0 0 334.460 2.790 10 10 EFCERN COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000768453500 577275236 /nfs/dbraw/zinc/27/52/36/577275236.db2.gz MPBUUQULCCYAKZ-LJQANCHMSA-N 0 0 330.428 2.530 10 10 EFCERN CO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000768464288 577276161 /nfs/dbraw/zinc/27/61/61/577276161.db2.gz POTRWRQTMMKASC-GFCCVEGCSA-N 0 0 331.416 2.993 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@H]2CCO)c(C)n1-c1ccccc1C ZINC000769045431 577327465 /nfs/dbraw/zinc/32/74/65/577327465.db2.gz ISJYKGGOASXIKR-QGZVFWFLSA-N 0 0 342.439 2.626 10 10 EFCERN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1OC ZINC000769217403 577345085 /nfs/dbraw/zinc/34/50/85/577345085.db2.gz YYBPNYHZLLILKZ-UHFFFAOYSA-N 0 0 328.372 2.729 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(C(F)(F)F)CC1 ZINC000726144672 577353866 /nfs/dbraw/zinc/35/38/66/577353866.db2.gz YPASPUWZZGWHHQ-UHFFFAOYSA-N 0 0 346.324 2.621 10 10 EFCERN COc1ccc(OC)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000726434350 577364639 /nfs/dbraw/zinc/36/46/39/577364639.db2.gz LSHYYPFTJWAFHH-UHFFFAOYSA-N 0 0 348.384 2.926 10 10 EFCERN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000769468256 577364819 /nfs/dbraw/zinc/36/48/19/577364819.db2.gz FUOROXADYDOWCL-VIFPVBQESA-N 0 0 338.256 2.566 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000769482646 577365978 /nfs/dbraw/zinc/36/59/78/577365978.db2.gz FHMUCVQKFXACDH-SFHVURJKSA-N 0 0 331.460 2.949 10 10 EFCERN COc1ccc(N2CCC(NC(=O)NCCOC(C)(C)C)CC2)cc1 ZINC000726614373 577375774 /nfs/dbraw/zinc/37/57/74/577375774.db2.gz RJGXCJDNPSFBQJ-UHFFFAOYSA-N 0 0 349.475 2.778 10 10 EFCERN C[S@@](=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000770224221 577407742 /nfs/dbraw/zinc/40/77/42/577407742.db2.gz WYWWWJGFGQEJBD-XMMPIXPASA-N 0 0 344.436 2.513 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc([S@@](C)=O)c1 ZINC000770239501 577408408 /nfs/dbraw/zinc/40/84/08/577408408.db2.gz BTMSOTGBAONZRR-HSZRJFAPSA-N 0 0 330.453 2.728 10 10 EFCERN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000770279742 577409718 /nfs/dbraw/zinc/40/97/18/577409718.db2.gz SVPOLZAIEHIXNJ-AWEZNQCLSA-N 0 0 342.443 2.861 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccsc1 ZINC000770343957 577411924 /nfs/dbraw/zinc/41/19/24/577411924.db2.gz IFKFZLRLNRFCMM-QGZVFWFLSA-N 0 0 345.468 2.881 10 10 EFCERN CCOC(=O)C1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000770665107 581123064 /nfs/dbraw/zinc/12/30/64/581123064.db2.gz CUPVGGVZJQJTHK-UHFFFAOYSA-N 0 0 342.233 2.896 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc([S@@](C)=O)c2)c1 ZINC000771416010 581209746 /nfs/dbraw/zinc/20/97/46/581209746.db2.gz BLKJKZDQYIADNJ-QVQLBTGDSA-N 0 0 333.409 2.629 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc([S@@](C)=O)c2)c1 ZINC000771416003 581209761 /nfs/dbraw/zinc/20/97/61/581209761.db2.gz BLKJKZDQYIADNJ-BSNNYGBQSA-N 0 0 333.409 2.629 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000771632247 581228888 /nfs/dbraw/zinc/22/88/88/581228888.db2.gz FJXSBKBILCLBPC-GOSISDBHSA-N 0 0 341.455 2.805 10 10 EFCERN Cc1cccc(NC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000772777448 581367108 /nfs/dbraw/zinc/36/71/08/581367108.db2.gz UXTLXXKCYSFFTO-VURMDHGXSA-N 0 0 327.336 2.601 10 10 EFCERN C[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000773010361 581387383 /nfs/dbraw/zinc/38/73/83/581387383.db2.gz UDMCHHSAOLBFRL-CQSZACIVSA-N 0 0 335.411 2.824 10 10 EFCERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020663 581388671 /nfs/dbraw/zinc/38/86/71/581388671.db2.gz QBCAUUFJHPXMIH-RHSMWYFYSA-N 0 0 331.460 2.577 10 10 EFCERN Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000773086058 581395543 /nfs/dbraw/zinc/39/55/43/581395543.db2.gz CIUMBZIJANZREV-LLVKDONJSA-N 0 0 339.486 2.865 10 10 EFCERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773185415 581403287 /nfs/dbraw/zinc/40/32/87/581403287.db2.gz JVUJTEBLZZFCOA-CYBMUJFWSA-N 0 0 343.475 2.706 10 10 EFCERN C[C@H](NC(=O)NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000773197971 581404226 /nfs/dbraw/zinc/40/42/26/581404226.db2.gz KPBDJRRCXRLVQC-AWEZNQCLSA-N 0 0 341.459 2.774 10 10 EFCERN C[C@@H](NC(=O)NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000773197972 581404232 /nfs/dbraw/zinc/40/42/32/581404232.db2.gz KPBDJRRCXRLVQC-CQSZACIVSA-N 0 0 341.459 2.774 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773624795 581451811 /nfs/dbraw/zinc/45/18/11/581451811.db2.gz KUHMDRJGDQYHSV-WBMJQRKESA-N 0 0 333.457 2.908 10 10 EFCERN Cc1nc([C@H]2CCCN2Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000774595812 581494952 /nfs/dbraw/zinc/49/49/52/581494952.db2.gz RRDRZYADBVECSV-ZBFHGGJFSA-N 0 0 332.425 2.920 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910465 581503889 /nfs/dbraw/zinc/50/38/89/581503889.db2.gz AWSDVULWQSJXFH-TZMCWYRMSA-N 0 0 336.388 2.558 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910464 581503911 /nfs/dbraw/zinc/50/39/11/581503911.db2.gz AWSDVULWQSJXFH-OCCSQVGLSA-N 0 0 336.388 2.558 10 10 EFCERN CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000850518420 1250522358 /nfs/dbraw/zinc/52/23/58/1250522358.db2.gz RPGRLQFUEGQZMB-LLVKDONJSA-N 0 0 343.342 2.549 10 10 EFCERN Cc1cc(N2CC[C@H](Sc3ncc(Cl)s3)C2=O)n(C)n1 ZINC000850000224 1250215819 /nfs/dbraw/zinc/21/58/19/1250215819.db2.gz MVLCCXCSFCLBQZ-QMMMGPOBSA-N 0 0 328.850 2.736 10 10 EFCERN C[C@H](NCc1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000850076808 1250265455 /nfs/dbraw/zinc/26/54/55/1250265455.db2.gz DCBXJTBJUYDKBR-HNNXBMFYSA-N 0 0 341.459 2.691 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850388259 1250460076 /nfs/dbraw/zinc/46/00/76/1250460076.db2.gz KGVQTKKNLTZYKY-STQMWFEESA-N 0 0 326.234 2.856 10 10 EFCERN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485306 1250502713 /nfs/dbraw/zinc/50/27/13/1250502713.db2.gz DIYWGRHFUBWLKC-QMMMGPOBSA-N 0 0 342.277 2.960 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(Cl)c1[O-] ZINC000850546825 1250530192 /nfs/dbraw/zinc/53/01/92/1250530192.db2.gz OKXCTBPHSHLLCF-CBAPKCEASA-N 0 0 347.640 2.737 10 10 EFCERN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850573073 1250541865 /nfs/dbraw/zinc/54/18/65/1250541865.db2.gz UAQSJDWHKNGMLF-KGLIPLIRSA-N 0 0 332.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(N)c(C)c3)C2)cc1 ZINC000850768010 1250604267 /nfs/dbraw/zinc/60/42/67/1250604267.db2.gz JUEZWTVFCZTKIU-HNNXBMFYSA-N 0 0 340.427 2.986 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(N)c3)C2)cc1 ZINC000851639766 1251162090 /nfs/dbraw/zinc/16/20/90/1251162090.db2.gz LIJQHWLWUXMTDO-HNNXBMFYSA-N 0 0 325.412 2.595 10 10 EFCERN CCc1nnc([C@H](C)N2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732815 1251230354 /nfs/dbraw/zinc/23/03/54/1251230354.db2.gz CVOOEYWQSTTXTG-AWEZNQCLSA-N 0 0 329.448 2.649 10 10 EFCERN COC(OC)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001626029928 1256966442 /nfs/dbraw/zinc/96/64/42/1256966442.db2.gz QHRBYLBXSSFFHI-FYGXRCCRSA-N 0 0 343.379 2.587 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000842938442 1257066157 /nfs/dbraw/zinc/06/61/57/1257066157.db2.gz WPURXBLIAZOTMU-YMTOWFKASA-N 0 0 325.792 2.791 10 10 EFCERN Cn1cc(CNCc2ccc3c(c2)CCCO3)c(Br)n1 ZINC000922466792 1266094921 /nfs/dbraw/zinc/09/49/21/1266094921.db2.gz REGRHPIKVXPPST-UHFFFAOYSA-N 0 0 336.233 2.797 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000922523121 1266196361 /nfs/dbraw/zinc/19/63/61/1266196361.db2.gz IENGQLLHJUSGHU-OLZOCXBDSA-N 0 0 330.856 2.854 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)/C=C\c2ccccc2F)cc1 ZINC000799999070 1261116024 /nfs/dbraw/zinc/11/60/24/1261116024.db2.gz CFUUSWJNBNIZGX-QXMHVHEDSA-N 0 0 334.416 2.982 10 10 EFCERN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2cnn(C)c2n1 ZINC001128137467 1261328268 /nfs/dbraw/zinc/32/82/68/1261328268.db2.gz LWUFENXIDQYFDN-CYBMUJFWSA-N 0 0 337.427 2.834 10 10 EFCERN CCCn1nccc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000804221030 1261456563 /nfs/dbraw/zinc/45/65/63/1261456563.db2.gz GJDBTIMQEZCOON-UHFFFAOYSA-N 0 0 348.790 2.621 10 10 EFCERN C[C@@]1(CNC(=O)NCc2c(O)cccc2F)COc2ccccc2O1 ZINC000923388267 1261596596 /nfs/dbraw/zinc/59/65/96/1261596596.db2.gz HNLXLAQGMOILHJ-GOSISDBHSA-N 0 0 346.358 2.561 10 10 EFCERN CC[C@@H](COCC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922664506 1266547902 /nfs/dbraw/zinc/54/79/02/1266547902.db2.gz VAIHMMKASCPPJS-VIFPVBQESA-N 0 0 338.301 2.688 10 10 EFCERN CC(C)[NH+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715738010 1263882194 /nfs/dbraw/zinc/88/21/94/1263882194.db2.gz PLMYNUSZKIFMIZ-UHFFFAOYSA-N 0 0 331.229 2.820 10 10 EFCERN C[C@@H](NC(=O)N[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000922055228 1264229964 /nfs/dbraw/zinc/22/99/64/1264229964.db2.gz NUOILGYUOKCIDK-FRIZHTMISA-N 0 0 329.444 2.824 10 10 EFCERN CO[C@]12CCC[C@@]1(NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000922056269 1264231391 /nfs/dbraw/zinc/23/13/91/1264231391.db2.gz XLAUPAWWJMBTHB-KYNGSXCRSA-N 0 0 347.459 2.799 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000715755136 1264532292 /nfs/dbraw/zinc/53/22/92/1264532292.db2.gz WSMSVMQSFXCRJA-ZDUSSCGKSA-N 0 0 343.240 2.964 10 10 EFCERN C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000715769566 1264917695 /nfs/dbraw/zinc/91/76/95/1264917695.db2.gz LZZIRNMDTVCAMQ-KOLCDFICSA-N 0 0 331.229 2.711 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000922213593 1264987466 /nfs/dbraw/zinc/98/74/66/1264987466.db2.gz YSMHWIAASJFMBD-CYBMUJFWSA-N 0 0 330.359 2.594 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2COC[C@@H]2c2ccccc2)cc1F ZINC000824669301 1278240124 /nfs/dbraw/zinc/24/01/24/1278240124.db2.gz IHNMEJIQRUAKPR-SJORKVTESA-N 0 0 342.414 2.938 10 10 EFCERN Cc1ccn([C@@H](C)CC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000824676067 1278240671 /nfs/dbraw/zinc/24/06/71/1278240671.db2.gz DFJSHJUJCAUTID-HNNXBMFYSA-N 0 0 326.444 2.841 10 10 EFCERN Cc1cc(Br)cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000824726401 1278263962 /nfs/dbraw/zinc/26/39/62/1278263962.db2.gz LPGJQSAHYTXHNJ-CYBMUJFWSA-N 0 0 336.176 2.665 10 10 EFCERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCCSc1nccs1 ZINC000733974961 1266797682 /nfs/dbraw/zinc/79/76/82/1266797682.db2.gz RTNGGGCFZCBVAD-GFCCVEGCSA-N 0 0 349.481 2.560 10 10 EFCERN COc1cc(F)ccc1N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000734552773 1267015634 /nfs/dbraw/zinc/01/56/34/1267015634.db2.gz PKAUERWNSGOWGX-UHFFFAOYSA-N 0 0 336.388 2.564 10 10 EFCERN Cc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000735832342 1267429858 /nfs/dbraw/zinc/42/98/58/1267429858.db2.gz QSKZCZDSQOGACK-CYBMUJFWSA-N 0 0 341.333 2.532 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000825059171 1278402906 /nfs/dbraw/zinc/40/29/06/1278402906.db2.gz USQUGYISKUZUKK-UHFFFAOYSA-N 0 0 339.395 2.684 10 10 EFCERN Cc1cc(CCNC(=O)N2CC[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000740468963 1268958642 /nfs/dbraw/zinc/95/86/42/1268958642.db2.gz UIQXXUXDYJPPTB-KRWDZBQOSA-N 0 0 341.455 2.660 10 10 EFCERN CCc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000740463925 1268959323 /nfs/dbraw/zinc/95/93/23/1268959323.db2.gz VTDROZHLPGNAIG-CYBMUJFWSA-N 0 0 344.415 2.956 10 10 EFCERN CCCn1nccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740680268 1269019874 /nfs/dbraw/zinc/01/98/74/1269019874.db2.gz OQBCRHSVEPRWTD-UHFFFAOYSA-N 0 0 325.416 2.991 10 10 EFCERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 ZINC000825202165 1278459617 /nfs/dbraw/zinc/45/96/17/1278459617.db2.gz PNCBVIHWJSNTRX-MSOLQXFVSA-N 0 0 336.501 2.684 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](COCc2ccccc2)C1 ZINC001137007212 1278479398 /nfs/dbraw/zinc/47/93/98/1278479398.db2.gz MXDSIHDAFGUDNJ-KRWDZBQOSA-N 0 0 341.407 2.706 10 10 EFCERN COc1cccn2ncc(C(=O)Nc3c4nonc4ccc3Cl)c12 ZINC001128704655 1269641469 /nfs/dbraw/zinc/64/14/69/1269641469.db2.gz SVATYKDNOCHSBB-UHFFFAOYSA-N 0 0 343.730 2.785 10 10 EFCERN Cn1cc(/C=C\C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)cn1 ZINC000741954635 1269779635 /nfs/dbraw/zinc/77/96/35/1269779635.db2.gz KJOJRIIDAINAHM-KHPPLWFESA-N 0 0 341.411 2.808 10 10 EFCERN C[C@@]1(C(F)(F)F)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC000825387225 1278515933 /nfs/dbraw/zinc/51/59/33/1278515933.db2.gz MOHOGZFBDQTPOX-ZDUSSCGKSA-N 0 0 344.293 2.642 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H](OC)C3CCC3)CC2)cc1 ZINC000825425703 1278547726 /nfs/dbraw/zinc/54/77/26/1278547726.db2.gz HTQNIOUULJRCBG-SFHVURJKSA-N 0 0 332.444 2.595 10 10 EFCERN Cn1ccnc1C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743755926 1270739733 /nfs/dbraw/zinc/73/97/33/1270739733.db2.gz AMZKLJAKFASWRJ-AWEZNQCLSA-N 0 0 327.409 2.901 10 10 EFCERN COc1ccc(N2CCN(CN3C[C@H](CC(C)C)CC3=O)CC2)cc1 ZINC000744431193 1271042312 /nfs/dbraw/zinc/04/23/12/1271042312.db2.gz FZOXQNAMTPJNBO-QGZVFWFLSA-N 0 0 345.487 2.669 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000843851839 1278609419 /nfs/dbraw/zinc/60/94/19/1278609419.db2.gz QYILRJRSJUKDSI-CHWSQXEVSA-N 0 0 331.416 2.555 10 10 EFCERN COc1cccc(CNC(=O)c2cccc(C(F)(F)F)n2)c1O ZINC001545682058 1272033920 /nfs/dbraw/zinc/03/39/20/1272033920.db2.gz OSQIGGNUYCQEPG-UHFFFAOYSA-N 0 0 326.274 2.745 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000843936449 1278688249 /nfs/dbraw/zinc/68/82/49/1278688249.db2.gz SIEGDDPPUXOYFQ-RISCZKNCSA-N 0 0 349.427 2.846 10 10 EFCERN Cc1nc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2o1 ZINC000792307332 1278717824 /nfs/dbraw/zinc/71/78/24/1278717824.db2.gz NHPVCEXHXCPEQO-JTQLQIEISA-N 0 0 326.352 2.908 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000844032438 1278723623 /nfs/dbraw/zinc/72/36/23/1278723623.db2.gz KLYDHVPKXQXSPI-CLUARGJDSA-N 0 0 340.379 2.543 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1C ZINC000844103415 1278755839 /nfs/dbraw/zinc/75/58/39/1278755839.db2.gz VSEGZFKOUUDAOL-HNNXBMFYSA-N 0 0 325.412 2.663 10 10 EFCERN C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000844212397 1278815448 /nfs/dbraw/zinc/81/54/48/1278815448.db2.gz IJNPCCKOKGCTRT-QTEJZOKPSA-N 0 0 345.399 2.613 10 10 EFCERN Cn1c(=O)ccc2ccc(NCc3ccc(N4CCOCC4)cc3)cc21 ZINC000785534051 1275110140 /nfs/dbraw/zinc/11/01/40/1275110140.db2.gz HUCSYLDNTQRBMF-UHFFFAOYSA-N 0 0 349.434 2.987 10 10 EFCERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cccc(O)c1O ZINC000785655269 1275135280 /nfs/dbraw/zinc/13/52/80/1275135280.db2.gz OAEAZAYZCAPCMB-UHFFFAOYSA-N 0 0 329.230 2.954 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cn3)CC2)cc1 ZINC000785686136 1275146179 /nfs/dbraw/zinc/14/61/79/1275146179.db2.gz GFMGXFKIVKCKPL-UHFFFAOYSA-N 0 0 345.830 2.635 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(Cc3ccccc3)n[nH]2)cc1 ZINC000785705816 1275170109 /nfs/dbraw/zinc/17/01/09/1275170109.db2.gz OHBPGQHVVIUFQV-UHFFFAOYSA-N 0 0 334.423 2.997 10 10 EFCERN COc1cccc(CNC(=O)c2cc(Cc3ccccc3)n[nH]2)c1O ZINC000786411690 1275392051 /nfs/dbraw/zinc/39/20/51/1275392051.db2.gz WXGHSDHATXYMQA-UHFFFAOYSA-N 0 0 337.379 2.645 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(C)(C)COCC(F)F)cc1F ZINC000786848398 1275555972 /nfs/dbraw/zinc/55/59/72/1275555972.db2.gz MBBHEAPVZJPMDP-UHFFFAOYSA-N 0 0 332.366 2.816 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000787064125 1275630989 /nfs/dbraw/zinc/63/09/89/1275630989.db2.gz JXZOEYGIZVMWDN-RUGDWHBFSA-N 0 0 329.444 2.682 10 10 EFCERN COC(=O)CC1(CC(=O)NCc2cccc(OC)c2O)CCCC1 ZINC000787132381 1275674633 /nfs/dbraw/zinc/67/46/33/1275674633.db2.gz ZPPVLFOWPBUYOK-UHFFFAOYSA-N 0 0 335.400 2.531 10 10 EFCERN O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787405776 1275777633 /nfs/dbraw/zinc/77/76/33/1275777633.db2.gz IDAMLMGWIFKACZ-PEGIJTEDSA-N 0 0 325.206 2.752 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000787445365 1275780693 /nfs/dbraw/zinc/78/06/93/1275780693.db2.gz LEHKQLWMNMIAGD-LBPRGKRZSA-N 0 0 342.395 2.875 10 10 EFCERN C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1cncnc1 ZINC000788129205 1276047229 /nfs/dbraw/zinc/04/72/29/1276047229.db2.gz JAWJWJJACISTJA-CYBMUJFWSA-N 0 0 344.378 2.929 10 10 EFCERN COc1nnc(NCc2cc(C)cc(Br)c2O)s1 ZINC000788446487 1276175583 /nfs/dbraw/zinc/17/55/83/1276175583.db2.gz BHGAJHXLVISTAC-UHFFFAOYSA-N 0 0 330.207 2.935 10 10 EFCERN Cc1cc(Br)c(O)c(CNc2nc3ncccn3n2)c1 ZINC000788452369 1276176768 /nfs/dbraw/zinc/17/67/68/1276176768.db2.gz ZARLFEWSHUTEDY-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc(C(F)(F)F)c1[O-] ZINC000788768055 1276296671 /nfs/dbraw/zinc/29/66/71/1276296671.db2.gz YWELWCGJNVKMFR-QMMMGPOBSA-N 0 0 328.290 2.954 10 10 EFCERN Cc1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(O)c1 ZINC001136025452 1276343839 /nfs/dbraw/zinc/34/38/39/1276343839.db2.gz KXUVVRXQANUZNX-UHFFFAOYSA-N 0 0 325.412 2.968 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1nccs1)C(F)(F)F ZINC000818322470 1276506081 /nfs/dbraw/zinc/50/60/81/1276506081.db2.gz OMWXNHGVYAWXIN-KMOQFTEPSA-N 0 0 344.314 2.987 10 10 EFCERN CC1(C)OC[C@H](/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC001136190257 1276638761 /nfs/dbraw/zinc/63/87/61/1276638761.db2.gz YVNOTTJXDVXVSS-FVNWOWOISA-N 0 0 330.428 2.611 10 10 EFCERN CC1(C)OC[C@H](/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)O1 ZINC001136190258 1276639516 /nfs/dbraw/zinc/63/95/16/1276639516.db2.gz YVNOTTJXDVXVSS-IBSYWUHOSA-N 0 0 330.428 2.611 10 10 EFCERN COc1ccccc1[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166064 1276649963 /nfs/dbraw/zinc/64/99/63/1276649963.db2.gz LLQJRMVEFFFNQT-ZDUSSCGKSA-N 0 0 340.379 2.926 10 10 EFCERN CC(C)[C@H]1C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 ZINC000819169631 1276652741 /nfs/dbraw/zinc/65/27/41/1276652741.db2.gz NMAOZXCTMJROOK-WMLDXEAASA-N 0 0 346.427 2.608 10 10 EFCERN CC(C)[C@H]1C[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 ZINC000819169629 1276653258 /nfs/dbraw/zinc/65/32/58/1276653258.db2.gz NMAOZXCTMJROOK-RHSMWYFYSA-N 0 0 346.427 2.608 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](c1cccnc1)C1CC1 ZINC000819170705 1276654454 /nfs/dbraw/zinc/65/44/54/1276654454.db2.gz MRZJATIOVCCOSC-GOSISDBHSA-N 0 0 337.379 2.703 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)=C1CCC1 ZINC000819332628 1276732818 /nfs/dbraw/zinc/73/28/18/1276732818.db2.gz GGCZXUCERXZWHA-UHFFFAOYSA-N 0 0 336.382 2.811 10 10 EFCERN O=C(/C=C\[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000819419538 1276780451 /nfs/dbraw/zinc/78/04/51/1276780451.db2.gz HAPJDGUPFDMCMA-PZWJTGQCSA-N 0 0 331.412 2.635 10 10 EFCERN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)n1cccn1 ZINC000819530204 1276806437 /nfs/dbraw/zinc/80/64/37/1276806437.db2.gz CYSQXNZTSWBLGC-JTQLQIEISA-N 0 0 338.205 2.619 10 10 EFCERN CC(C)[C@@H](F)C(=O)NCc1cc(NC(=O)[C@@H](F)C(C)C)ccc1O ZINC000923121182 1276825307 /nfs/dbraw/zinc/82/53/07/1276825307.db2.gz VTEOILQRYUAXAB-CABCVRRESA-N 0 0 342.386 2.935 10 10 EFCERN CCOC(=O)[C@H](CCOC(C)(C)C)NCc1cc(F)ccc1O ZINC000789578000 1276825899 /nfs/dbraw/zinc/82/58/99/1276825899.db2.gz PDMCRHQUURUCDG-AWEZNQCLSA-N 0 0 327.396 2.758 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC(C)(C)O3)C2)cc1 ZINC000819587861 1276831660 /nfs/dbraw/zinc/83/16/60/1276831660.db2.gz IGUAMVMWLMACJB-RHSMWYFYSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccsc3)C2)cc1 ZINC000819590595 1276836153 /nfs/dbraw/zinc/83/61/53/1276836153.db2.gz LGDKXAJNDJVDFX-AWEZNQCLSA-N 0 0 346.452 2.778 10 10 EFCERN O=C(NCc1cc(NC(=O)[C@H]2CC23CC3)ccc1O)[C@H]1CC12CC2 ZINC000923120376 1276854494 /nfs/dbraw/zinc/85/44/94/1276854494.db2.gz VBXFFVGUQAXEOR-ZIAGYGMSSA-N 0 0 326.396 2.547 10 10 EFCERN O=C(NCc1cc(NC(=O)C23CC(C2)C3)ccc1O)C12CC(C1)C2 ZINC000923129468 1276907380 /nfs/dbraw/zinc/90/73/80/1276907380.db2.gz VBDIERHBWCVBLC-UHFFFAOYSA-N 0 0 326.396 2.547 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(CC(F)F)C2)c([N+](=O)[O-])c1 ZINC000819951003 1276965828 /nfs/dbraw/zinc/96/58/28/1276965828.db2.gz XOMGSCUNLHKUKH-HYXAFXHYSA-N 0 0 326.299 2.872 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000819995412 1276986997 /nfs/dbraw/zinc/98/69/97/1276986997.db2.gz ATPGGOAZUVLVJG-OCCSQVGLSA-N 0 0 329.404 2.611 10 10 EFCERN CCCn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1=O ZINC001136298040 1276993598 /nfs/dbraw/zinc/99/35/98/1276993598.db2.gz XBYYACWOYQFFNW-UHFFFAOYSA-N 0 0 327.344 2.673 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCS[C@H](C)C3)C2)cc1 ZINC000923184080 1277156731 /nfs/dbraw/zinc/15/67/31/1277156731.db2.gz ABEAPCNMWKCJHP-ILXRZTDVSA-N 0 0 349.500 2.857 10 10 EFCERN CO[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000820509801 1277200719 /nfs/dbraw/zinc/20/07/19/1277200719.db2.gz OHCOIOOCFBACAN-HNNXBMFYSA-N 0 0 332.425 2.898 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2cccnc21 ZINC000820571941 1277232643 /nfs/dbraw/zinc/23/26/43/1277232643.db2.gz URJCVVVLBWUEOC-CYBMUJFWSA-N 0 0 347.212 2.896 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccc(-n4cncn4)cc3)ccc21 ZINC000746879953 1277255620 /nfs/dbraw/zinc/25/56/20/1277255620.db2.gz LQNIUPWMGCZVQF-UHFFFAOYSA-N 0 0 347.422 2.580 10 10 EFCERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000820872159 1277352080 /nfs/dbraw/zinc/35/20/80/1277352080.db2.gz RXXUQXNURXWELE-JKSUJKDBSA-N 0 0 343.379 2.713 10 10 EFCERN CC[C@@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC000790237303 1277363630 /nfs/dbraw/zinc/36/36/30/1277363630.db2.gz YALDXEIDYKWUAY-SFHVURJKSA-N 0 0 342.439 2.952 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC([C@H]3CCOC3)CC2)cc1 ZINC000585121769 1277372313 /nfs/dbraw/zinc/37/23/13/1277372313.db2.gz ZDXHQGZCFOTTDO-AWEZNQCLSA-N 0 0 330.388 2.738 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCc1c(O)ccc3c1CCCC3)CCO2 ZINC000821071174 1277428100 /nfs/dbraw/zinc/42/81/00/1277428100.db2.gz WWRIEYXKOKOLFU-PMACEKPBSA-N 0 0 345.439 2.821 10 10 EFCERN COc1cc(CN2CCO[C@@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462580 1277547478 /nfs/dbraw/zinc/54/74/78/1277547478.db2.gz WMOIZCUZYCKSJC-GOSISDBHSA-N 0 0 343.423 2.989 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000790529167 1277632887 /nfs/dbraw/zinc/63/28/87/1277632887.db2.gz JPBSHDMLKVTKIN-UHFFFAOYSA-N 0 0 340.427 2.570 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)(F)C1CCOCC1 ZINC000790699899 1277733058 /nfs/dbraw/zinc/73/30/58/1277733058.db2.gz SODMGOWRHQMCNI-UHFFFAOYSA-N 0 0 340.370 2.540 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCC2)nc1 ZINC000822496049 1289014280 /nfs/dbraw/zinc/01/42/80/1289014280.db2.gz YMFLJDHNQACEIM-UHFFFAOYSA-N 0 0 336.439 2.822 10 10 EFCERN CSc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1C ZINC000790788433 1277774234 /nfs/dbraw/zinc/77/42/34/1277774234.db2.gz WQCOUZRCTFSCTR-UHFFFAOYSA-N 0 0 331.441 2.656 10 10 EFCERN Nc1c(Br)cccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175038259 1287301025 /nfs/dbraw/zinc/30/10/25/1287301025.db2.gz OUTTZLURHANAHT-UHFFFAOYSA-N 0 0 333.185 2.893 10 10 EFCERN CC[C@H](C)n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000790866509 1277813593 /nfs/dbraw/zinc/81/35/93/1277813593.db2.gz NURGXIPNPUJNRX-RYUDHWBXSA-N 0 0 331.416 2.935 10 10 EFCERN CON(C)CCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001144119943 1279129478 /nfs/dbraw/zinc/12/94/78/1279129478.db2.gz XLUCUVKJMKYLGO-UHFFFAOYSA-N 0 0 349.862 2.899 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@H](CCF)C2=O)c(C)n1-c1ccccc1 ZINC000844711118 1279192065 /nfs/dbraw/zinc/19/20/65/1279192065.db2.gz AAGNKOQQPXSLSX-QGZVFWFLSA-N 0 0 343.402 2.917 10 10 EFCERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000844759723 1279229811 /nfs/dbraw/zinc/22/98/11/1279229811.db2.gz RGFZUPQRPBMDNI-ZDUSSCGKSA-N 0 0 339.432 2.962 10 10 EFCERN C[C@@]1(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C[C@]1(F)Cl ZINC000844736635 1279241352 /nfs/dbraw/zinc/24/13/52/1279241352.db2.gz WAAKJAACYBTZIE-HZPDHXFCSA-N 0 0 340.782 2.861 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C(=O)c2ccc(F)cc2)cc1 ZINC000844778725 1279246762 /nfs/dbraw/zinc/24/67/62/1279246762.db2.gz QCYQZQFKGFQABV-UHFFFAOYSA-N 0 0 344.386 2.612 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000844777375 1279246858 /nfs/dbraw/zinc/24/68/58/1279246858.db2.gz JZAAFAURRYHOJU-QRWLVFNGSA-N 0 0 341.455 2.848 10 10 EFCERN CN(c1ccc(CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1)C1CCCCC1 ZINC000792941403 1279263188 /nfs/dbraw/zinc/26/31/88/1279263188.db2.gz UVYQZOVXICIGRK-BWTSREIZSA-N 0 0 343.471 2.900 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844922045 1279342581 /nfs/dbraw/zinc/34/25/81/1279342581.db2.gz ZMRKKMQTINAICK-SWLSCSKDSA-N 0 0 326.396 2.866 10 10 EFCERN C[C@@H](NC(=O)N1CCCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000844927137 1279346610 /nfs/dbraw/zinc/34/66/10/1279346610.db2.gz NFTFDDISDUXWEK-OAHLLOKOSA-N 0 0 333.432 2.711 10 10 EFCERN Cc1ccc(CN(CCO)C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000793025682 1279348393 /nfs/dbraw/zinc/34/83/93/1279348393.db2.gz OETVFBKTEKFMKF-UHFFFAOYSA-N 0 0 345.443 2.667 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000844973785 1279368218 /nfs/dbraw/zinc/36/82/18/1279368218.db2.gz LRHGBPXWYQULNB-HUUCEWRRSA-N 0 0 330.787 2.905 10 10 EFCERN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845004022 1279381145 /nfs/dbraw/zinc/38/11/45/1279381145.db2.gz VWIGFRSGNMNFPY-QAPCUYQASA-N 0 0 331.460 2.659 10 10 EFCERN O=S(=O)(NC1CC1)c1ccc(CSc2nccs2)cc1 ZINC000845305343 1279565253 /nfs/dbraw/zinc/56/52/53/1279565253.db2.gz FGLGXFRZUWWLHK-UHFFFAOYSA-N 0 0 326.468 2.876 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]1n1cccn1 ZINC000815166305 1287361786 /nfs/dbraw/zinc/36/17/86/1287361786.db2.gz AHUPWXMXGQWKIX-BJJXKVORSA-N 0 0 339.798 2.890 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000845710908 1279791512 /nfs/dbraw/zinc/79/15/12/1279791512.db2.gz ZUIWIRGYRKAGSA-BPJJOFIESA-N 0 0 348.399 2.626 10 10 EFCERN Oc1ccccc1CN1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000845998239 1279967854 /nfs/dbraw/zinc/96/78/54/1279967854.db2.gz JREYWWNWGCERAO-UHFFFAOYSA-N 0 0 338.386 2.729 10 10 EFCERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1cc2c(cc1O)OCO2 ZINC000846005261 1279971878 /nfs/dbraw/zinc/97/18/78/1279971878.db2.gz AVCYUNPXBUJBAQ-DGCLKSJQSA-N 0 0 335.400 2.816 10 10 EFCERN CN(C)c1ccc(/C=C\CN2CCOC[C@H]2c2ccnn2C)cc1 ZINC000846114567 1280023348 /nfs/dbraw/zinc/02/33/48/1280023348.db2.gz DUGVHEAEAZATGP-HMECNJMJSA-N 0 0 326.444 2.573 10 10 EFCERN Cn1nccc1[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000846116588 1280023785 /nfs/dbraw/zinc/02/37/85/1280023785.db2.gz UUZXVQSEIXDRSJ-HXUWFJFHSA-N 0 0 340.471 2.984 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CNc2ccccc2C1 ZINC000846147419 1280037627 /nfs/dbraw/zinc/03/76/27/1280037627.db2.gz UXFPHRPJLMKMAZ-QGZVFWFLSA-N 0 0 338.455 2.897 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@@H]1CNc2ccccc2C1 ZINC000846156135 1280040340 /nfs/dbraw/zinc/04/03/40/1280040340.db2.gz YEUYQSQDSZEBGD-ZDUSSCGKSA-N 0 0 348.497 2.961 10 10 EFCERN Nc1ccc(CCNC(=O)NCC[C@H]2CCc3ccccc3N2)cc1 ZINC000846175200 1280057961 /nfs/dbraw/zinc/05/79/61/1280057961.db2.gz XUXGMFLTULAGFG-GOSISDBHSA-N 0 0 338.455 2.928 10 10 EFCERN CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846253831 1280087886 /nfs/dbraw/zinc/08/78/86/1280087886.db2.gz HCHRPYSRIIJRMZ-BXUZGUMPSA-N 0 0 332.404 2.534 10 10 EFCERN COc1ccc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)nc1 ZINC000846294329 1280104579 /nfs/dbraw/zinc/10/45/79/1280104579.db2.gz LJIWIFDOPBYAQK-UHFFFAOYSA-N 0 0 342.395 2.830 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000846439450 1280153462 /nfs/dbraw/zinc/15/34/62/1280153462.db2.gz REPPWCKCLOYATB-IYBDPMFKSA-N 0 0 339.439 2.705 10 10 EFCERN CCOc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1[N+](=O)[O-] ZINC000794377730 1280161129 /nfs/dbraw/zinc/16/11/29/1280161129.db2.gz VGQBQMCFLZVTLL-UHFFFAOYSA-N 0 0 346.339 2.638 10 10 EFCERN COc1ccc(CNC(=O)c2cnc(-c3ccncc3)s2)c(O)c1 ZINC000794389621 1280167366 /nfs/dbraw/zinc/16/73/66/1280167366.db2.gz AWKZDADCLZUGTP-UHFFFAOYSA-N 0 0 341.392 2.849 10 10 EFCERN COCc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)o1 ZINC000846447052 1280168547 /nfs/dbraw/zinc/16/85/47/1280168547.db2.gz OVCLIOLYBAKFEM-UHFFFAOYSA-N 0 0 332.400 2.643 10 10 EFCERN COC(=O)c1cncnc1NCc1ccc(N2CCCCC2)cc1 ZINC000804386966 1280180275 /nfs/dbraw/zinc/18/02/75/1280180275.db2.gz KVFYJGUPULLUMJ-UHFFFAOYSA-N 0 0 326.400 2.866 10 10 EFCERN CO[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805190029 1280201671 /nfs/dbraw/zinc/20/16/71/1280201671.db2.gz GNHIFROVDQLBBB-CYBMUJFWSA-N 0 0 345.237 2.625 10 10 EFCERN O=C(NCc1ccoc1)NCc1cc(Br)ccc1O ZINC000804986040 1280418715 /nfs/dbraw/zinc/41/87/15/1280418715.db2.gz BWGKLLBBSAKNHE-UHFFFAOYSA-N 0 0 325.162 2.747 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CO[C@H](C)c2nccn2C)cc1 ZINC000805166911 1280468082 /nfs/dbraw/zinc/46/80/82/1280468082.db2.gz SXHSBZPQTLAHIK-OAHLLOKOSA-N 0 0 344.459 2.660 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000846742457 1280470362 /nfs/dbraw/zinc/47/03/62/1280470362.db2.gz MKRAXPZMCMTXEC-CQSZACIVSA-N 0 0 333.476 2.652 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000846785576 1280485997 /nfs/dbraw/zinc/48/59/97/1280485997.db2.gz HTEGHAVEWKFJLY-WMZOPIPTSA-N 0 0 344.411 2.504 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCC=CO1 ZINC000805321667 1280510154 /nfs/dbraw/zinc/51/01/54/1280510154.db2.gz YPNZDTHDIPJQOH-GFCCVEGCSA-N 0 0 341.205 2.647 10 10 EFCERN CCN1C[C@@H](CN2CCCc3cc(OC(F)F)ccc32)OC1=O ZINC000846822955 1280516571 /nfs/dbraw/zinc/51/65/71/1280516571.db2.gz HHKUNHXBRUUKEB-ZDUSSCGKSA-N 0 0 326.343 2.881 10 10 EFCERN CN(Cc1nnc2n1CCOC2)c1ccc(-c2nccs2)cc1 ZINC000846990395 1280678467 /nfs/dbraw/zinc/67/84/67/1280678467.db2.gz AKFXFQBFNSALLY-UHFFFAOYSA-N 0 0 327.413 2.568 10 10 EFCERN Cc1cc(C(=O)CN2CCn3nncc3C2)c(C)n1-c1cccc(C)c1 ZINC000847016052 1280704939 /nfs/dbraw/zinc/70/49/39/1280704939.db2.gz BKMRGJSWWFGIEU-UHFFFAOYSA-N 0 0 349.438 2.693 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC001146195807 1280828857 /nfs/dbraw/zinc/82/88/57/1280828857.db2.gz DRDHHHUXADXPPZ-JKSUJKDBSA-N 0 0 347.459 2.590 10 10 EFCERN CC[C@H]([NH2+]CCc1nnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142884 1280988819 /nfs/dbraw/zinc/98/88/19/1280988819.db2.gz HLCJKANDFRXQLN-NSHDSACASA-N 0 0 330.219 2.506 10 10 EFCERN CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Cl)c1[O-] ZINC000806145502 1280990020 /nfs/dbraw/zinc/99/00/20/1280990020.db2.gz KQJRGUNEDAHISH-AWEZNQCLSA-N 0 0 346.880 2.512 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805252135 1280992854 /nfs/dbraw/zinc/99/28/54/1280992854.db2.gz XVJRHEHCKKYBPO-SKDRFNHKSA-N 0 0 343.221 2.521 10 10 EFCERN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCC23OCCO3)C2CC2)cc1 ZINC000806423435 1281055789 /nfs/dbraw/zinc/05/57/89/1281055789.db2.gz ROPDTKAGPAIHPD-SFHVURJKSA-N 0 0 344.455 2.787 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1cn[nH]c1 ZINC001146986781 1281075186 /nfs/dbraw/zinc/07/51/86/1281075186.db2.gz IFTLPVIRAXMLFE-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000807185203 1281248072 /nfs/dbraw/zinc/24/80/72/1281248072.db2.gz KQSZRMNXWDFDRE-PTEHBNRSSA-N 0 0 325.206 2.752 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)c(C=O)cc1F ZINC001147888486 1281323275 /nfs/dbraw/zinc/32/32/75/1281323275.db2.gz PHYBNPWCKXWGOK-UHFFFAOYSA-N 0 0 346.333 2.883 10 10 EFCERN CNc1ncc(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000807736989 1281400743 /nfs/dbraw/zinc/40/07/43/1281400743.db2.gz KAEMCRXEUSMQFD-UHFFFAOYSA-N 0 0 342.218 2.583 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccnc1F ZINC000807739331 1281401497 /nfs/dbraw/zinc/40/14/97/1281401497.db2.gz LQRCLCOVMUXFOP-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](CO)c2cccnc2)cc1 ZINC000807850520 1281438519 /nfs/dbraw/zinc/43/85/19/1281438519.db2.gz OKEOIGFWOLDTPN-LJQANCHMSA-N 0 0 349.434 2.995 10 10 EFCERN CC(=O)C(=O)COc1c(Cl)cc(Br)cc1C(C)=O ZINC000808024801 1281505061 /nfs/dbraw/zinc/50/50/61/1281505061.db2.gz QLAWDBFKIGZEEP-UHFFFAOYSA-N 0 0 333.565 2.842 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nsnc2c1 ZINC000808096295 1281535585 /nfs/dbraw/zinc/53/55/85/1281535585.db2.gz GFVGEDVQXWVKMX-UHFFFAOYSA-N 0 0 334.397 2.813 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000808504743 1281744871 /nfs/dbraw/zinc/74/48/71/1281744871.db2.gz LSMPXESFVGMABR-CYBMUJFWSA-N 0 0 327.336 2.537 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000808506762 1281745308 /nfs/dbraw/zinc/74/53/08/1281745308.db2.gz QTJFAHFEMHJDSU-SECBINFHSA-N 0 0 345.214 2.631 10 10 EFCERN COc1ccc(-c2ccc(C(=O)OCC(=O)C(C)=O)c(F)c2)c(F)c1 ZINC000808515138 1281748977 /nfs/dbraw/zinc/74/89/77/1281748977.db2.gz BKHXVFVVSCEKKO-UHFFFAOYSA-N 0 0 348.301 2.955 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000808516070 1281749152 /nfs/dbraw/zinc/74/91/52/1281749152.db2.gz XWUCTQNIMDLAMV-KRWDZBQOSA-N 0 0 348.301 2.786 10 10 EFCERN CC(=O)C(=O)COC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000808517517 1281750479 /nfs/dbraw/zinc/75/04/79/1281750479.db2.gz DPXODLIXZDEKCG-UHFFFAOYSA-N 0 0 340.375 2.818 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000808543823 1281772834 /nfs/dbraw/zinc/77/28/34/1281772834.db2.gz NYMZAFGRWWSMNN-UHFFFAOYSA-N 0 0 348.358 2.920 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC001148941941 1281816253 /nfs/dbraw/zinc/81/62/53/1281816253.db2.gz CKOIAEAJCCECJT-BBRMVZONSA-N 0 0 347.436 2.817 10 10 EFCERN COc1ncc(/C=C/C(=O)N(C)c2ccccc2Br)cn1 ZINC001131587714 1282072893 /nfs/dbraw/zinc/07/28/93/1282072893.db2.gz ZWIVGHZHSIPVEI-BQYQJAHWSA-N 0 0 348.200 2.924 10 10 EFCERN CCN1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1=O ZINC000809652261 1282367105 /nfs/dbraw/zinc/36/71/05/1282367105.db2.gz HPABPHFOBFBOOP-UHFFFAOYSA-N 0 0 335.451 2.871 10 10 EFCERN C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769546 1282431257 /nfs/dbraw/zinc/43/12/57/1282431257.db2.gz ODFFTFDMRQIYGS-BHDSKKPTSA-N 0 0 348.340 2.809 10 10 EFCERN Cc1c(NCc2cc(F)ccc2O)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000809786543 1282481996 /nfs/dbraw/zinc/48/19/96/1282481996.db2.gz DXCWCFJCOZPKDT-NSHDSACASA-N 0 0 343.358 2.897 10 10 EFCERN COCC[C@H](COC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000810174734 1283002525 /nfs/dbraw/zinc/00/25/25/1283002525.db2.gz YLBZRPFYUGOFRH-GFCCVEGCSA-N 0 0 332.238 2.604 10 10 EFCERN CC(=O)C(=O)COC(=O)c1sc2ccccc2c1Br ZINC000811387310 1284273615 /nfs/dbraw/zinc/27/36/15/1284273615.db2.gz UTKCDJGNDSDGMI-UHFFFAOYSA-N 0 0 341.182 2.979 10 10 EFCERN Oc1ccc2c(c1CNc1ccnc(N3CCOCC3)n1)CCCC2 ZINC000811808345 1284639652 /nfs/dbraw/zinc/63/96/52/1284639652.db2.gz FKIZHHJPUQMMAV-UHFFFAOYSA-N 0 0 340.427 2.510 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCCCc2nccs2)c1 ZINC000811932946 1284758770 /nfs/dbraw/zinc/75/87/70/1284758770.db2.gz SZHQTRRXNOXSQM-NSHDSACASA-N 0 0 335.429 2.850 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000812047340 1284836634 /nfs/dbraw/zinc/83/66/34/1284836634.db2.gz GXMCNLPDLDWAEW-BEFAXECRSA-N 0 0 341.455 2.982 10 10 EFCERN Oc1cc2c(cc1CN1CCn3c(cc4ccccc43)C1)[C@@H](O)CO2 ZINC000812300589 1285065199 /nfs/dbraw/zinc/06/51/99/1285065199.db2.gz SKUVMXFLXVHZCY-IBGZPJMESA-N 0 0 336.391 2.789 10 10 EFCERN COCC[C@@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000812345780 1285091779 /nfs/dbraw/zinc/09/17/79/1285091779.db2.gz OBUVDOSDWBBFSL-KRWDZBQOSA-N 0 0 330.428 2.875 10 10 EFCERN C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812736118 1285387036 /nfs/dbraw/zinc/38/70/36/1285387036.db2.gz DFCCMXJLHXKFQV-LLVKDONJSA-N 0 0 330.388 2.764 10 10 EFCERN C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001171729650 1285745752 /nfs/dbraw/zinc/74/57/52/1285745752.db2.gz FRMKCLMKCWWFPN-NSHDSACASA-N 0 0 326.331 2.603 10 10 EFCERN C[C@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1ccccc1O ZINC001171729720 1285745939 /nfs/dbraw/zinc/74/59/39/1285745939.db2.gz GTSNJRULWXPPGG-JTQLQIEISA-N 0 0 343.774 2.512 10 10 EFCERN COc1cc(OC)c(C(=O)N[C@@H](C)c2ccccc2O)cc1C=O ZINC001171731162 1285746769 /nfs/dbraw/zinc/74/67/69/1285746769.db2.gz ZGMXETRYLMMADS-NSHDSACASA-N 0 0 329.352 2.713 10 10 EFCERN CCc1noc(C)c1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000813363158 1285855808 /nfs/dbraw/zinc/85/58/08/1285855808.db2.gz RVYLKMKFNTYXFV-UHFFFAOYSA-N 0 0 349.774 2.873 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000822598121 1289059347 /nfs/dbraw/zinc/05/93/47/1289059347.db2.gz GFAVYHAOXBVBSR-RDJZCZTQSA-N 0 0 342.443 2.679 10 10 EFCERN CC(C)n1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000814105881 1286319607 /nfs/dbraw/zinc/31/96/07/1286319607.db2.gz BHQSVOMLDWPKLJ-UHFFFAOYSA-N 0 0 327.432 2.730 10 10 EFCERN Cc1cc(=O)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000814283374 1286477260 /nfs/dbraw/zinc/47/72/60/1286477260.db2.gz DYVNXHCEZXMQPV-UHFFFAOYSA-N 0 0 325.412 2.966 10 10 EFCERN CC1(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000822720600 1289100989 /nfs/dbraw/zinc/10/09/89/1289100989.db2.gz HRNUKUBACCRUOS-VOTSOKGWSA-N 0 0 344.455 2.512 10 10 EFCERN C[C@H](CC(N)=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001179347346 1289106561 /nfs/dbraw/zinc/10/65/61/1289106561.db2.gz REJZDLKESKZCJL-AHAUYKDXSA-N 0 0 340.379 2.729 10 10 EFCERN CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819743 1289122993 /nfs/dbraw/zinc/12/29/93/1289122993.db2.gz ZKHCSXWTUDELSQ-HKUYNNGSSA-N 0 0 346.471 2.735 10 10 EFCERN COC(=O)c1cc(OCc2nc3c(o2)CCCC3)ccc1N(C)C ZINC000871681352 1287203520 /nfs/dbraw/zinc/20/35/20/1287203520.db2.gz BYIMRIZHZIIYLR-UHFFFAOYSA-N 0 0 330.384 2.985 10 10 EFCERN COC(=O)c1cc(OCc2nccn2CC(F)F)ccc1N(C)C ZINC000871681335 1287203643 /nfs/dbraw/zinc/20/36/43/1287203643.db2.gz BNMCFORGBVGMSL-UHFFFAOYSA-N 0 0 339.342 2.580 10 10 EFCERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccccc1O ZINC000815833569 1287847274 /nfs/dbraw/zinc/84/72/74/1287847274.db2.gz UGIPFQDCFTVNBW-CYBMUJFWSA-N 0 0 332.425 2.981 10 10 EFCERN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccccc1O ZINC000815833570 1287847314 /nfs/dbraw/zinc/84/73/14/1287847314.db2.gz UGIPFQDCFTVNBW-ZDUSSCGKSA-N 0 0 332.425 2.981 10 10 EFCERN COc1cccc2c1[C@H](C(=O)NCc1cccc(OC)c1O)CC2 ZINC000815834531 1287848124 /nfs/dbraw/zinc/84/81/24/1287848124.db2.gz MQWKUCXDOIEVSA-CQSZACIVSA-N 0 0 327.380 2.756 10 10 EFCERN COc1cccc2c1[C@@H](C(=O)NCc1cccc(OC)c1O)CC2 ZINC000815834530 1287848182 /nfs/dbraw/zinc/84/81/82/1287848182.db2.gz MQWKUCXDOIEVSA-AWEZNQCLSA-N 0 0 327.380 2.756 10 10 EFCERN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC000815836031 1287851672 /nfs/dbraw/zinc/85/16/72/1287851672.db2.gz OALJSXPZCRONDB-LBPRGKRZSA-N 0 0 348.424 2.687 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000822919548 1289153647 /nfs/dbraw/zinc/15/36/47/1289153647.db2.gz LIDPESPFGQNLGB-CRAIPNDOSA-N 0 0 332.444 2.549 10 10 EFCERN OC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC001176927560 1288176385 /nfs/dbraw/zinc/17/63/85/1288176385.db2.gz SVFJSRBIHQWWQV-LJQANCHMSA-N 0 0 348.393 2.625 10 10 EFCERN C[C@H](NCc1cc(F)ccc1O)c1ncc(Br)cn1 ZINC000816627389 1288216163 /nfs/dbraw/zinc/21/61/63/1288216163.db2.gz MTSHZMVXFWFWPF-QMMMGPOBSA-N 0 0 326.169 2.935 10 10 EFCERN COc1c(O)c(CN2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667385 1288236409 /nfs/dbraw/zinc/23/64/09/1288236409.db2.gz LTANBGYIZJGITC-AWEZNQCLSA-N 0 0 336.388 2.700 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1coc(Sc2ncccn2)n1 ZINC000816888900 1288305001 /nfs/dbraw/zinc/30/50/01/1288305001.db2.gz CIPBPBSVWAOSDQ-UHFFFAOYSA-N 0 0 342.380 2.594 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCn2cncc2C1 ZINC001135800650 1288391455 /nfs/dbraw/zinc/39/14/55/1288391455.db2.gz KRWPRMGCVTZMOP-KRWDZBQOSA-N 0 0 338.455 2.704 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nccn2ccnc12 ZINC001135800286 1288391625 /nfs/dbraw/zinc/39/16/25/1288391625.db2.gz CHCOGDIHWIBJEP-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001135800206 1288391647 /nfs/dbraw/zinc/39/16/47/1288391647.db2.gz AZJBLTGMVRVVER-SJORKVTESA-N 0 0 343.471 2.537 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCSCc1ccccc1F ZINC001135822045 1288431998 /nfs/dbraw/zinc/43/19/98/1288431998.db2.gz IVZLHPDTLJPTIF-UHFFFAOYSA-N 0 0 335.400 2.829 10 10 EFCERN Cc1[nH]nc(NC(=O)C=Cc2ccc(O)c(O)c2)c1-c1cccnc1 ZINC001177470271 1288433435 /nfs/dbraw/zinc/43/34/35/1288433435.db2.gz FKFJTQRBWDJLOE-ALCCZGGFSA-N 0 0 336.351 2.843 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](O)CC[C@@H]2C)cc1F ZINC000817160285 1288445986 /nfs/dbraw/zinc/44/59/86/1288445986.db2.gz SWCZNCITIWSDSK-ZFWWWQNUSA-N 0 0 337.439 2.727 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817515462 1288649763 /nfs/dbraw/zinc/64/97/63/1288649763.db2.gz JXWADJWIFCMZEL-KZNAEPCWSA-N 0 0 328.456 2.918 10 10 EFCERN COCCOC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571534 1288657229 /nfs/dbraw/zinc/65/72/29/1288657229.db2.gz RNEDQFODQYWVCH-CQSZACIVSA-N 0 0 343.851 2.733 10 10 EFCERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000817640516 1288677099 /nfs/dbraw/zinc/67/70/99/1288677099.db2.gz QAPQOBBNCLQTET-MRXNPFEDSA-N 0 0 339.439 2.611 10 10 EFCERN Cc1c2ccccc2oc(=O)c1C(=O)NCc1c(O)cccc1F ZINC001178413286 1288780687 /nfs/dbraw/zinc/78/06/87/1288780687.db2.gz PWFRLGIRZYTBAO-UHFFFAOYSA-N 0 0 327.311 2.876 10 10 EFCERN CCn1ncnc1-c1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001178412674 1288780703 /nfs/dbraw/zinc/78/07/03/1288780703.db2.gz DOZPMDNWNTUYFX-UHFFFAOYSA-N 0 0 340.358 2.740 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccn(-c2cccc(F)c2)n1 ZINC001178412665 1288780815 /nfs/dbraw/zinc/78/08/15/1288780815.db2.gz DCAJQLXEQITWCW-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN CCCCN(CC(N)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000821940803 1288832008 /nfs/dbraw/zinc/83/20/08/1288832008.db2.gz SVQUCRIBEDQZQU-UHFFFAOYSA-N 0 0 341.455 2.751 10 10 EFCERN CCc1noc(C)c1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822145744 1288891907 /nfs/dbraw/zinc/89/19/07/1288891907.db2.gz MPQGGLLJFJBMSE-CYBMUJFWSA-N 0 0 344.415 2.954 10 10 EFCERN Cc1csc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001136552194 1288902082 /nfs/dbraw/zinc/90/20/82/1288902082.db2.gz HUDPFACAIMVLNM-UHFFFAOYSA-N 0 0 331.401 2.977 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000822196958 1288904765 /nfs/dbraw/zinc/90/47/65/1288904765.db2.gz DVNHLCITKXIDOJ-KRWDZBQOSA-N 0 0 346.496 2.877 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2c(C)nnn2CC)cc1 ZINC000822270159 1288923988 /nfs/dbraw/zinc/92/39/88/1288923988.db2.gz YIZYQWOOJIYOKJ-UHFFFAOYSA-N 0 0 329.448 2.725 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)nn1-c1ccc(F)cc1 ZINC001178911153 1288977983 /nfs/dbraw/zinc/97/79/83/1288977983.db2.gz KNFQVROAWPDKFT-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccc(F)cc2)no1 ZINC001178917015 1288981700 /nfs/dbraw/zinc/98/17/00/1288981700.db2.gz GQPUNZNHGJVXQN-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN O=C(NCc1c(O)cccc1O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001178917089 1288981854 /nfs/dbraw/zinc/98/18/54/1288981854.db2.gz JAOJAQNNYIXJFH-UHFFFAOYSA-N 0 0 340.162 2.904 10 10 EFCERN COc1nsc(OC)c1C(=O)NCCCSc1nccs1 ZINC001136662029 1289185209 /nfs/dbraw/zinc/18/52/09/1289185209.db2.gz YLZOZAHZHDBIEQ-UHFFFAOYSA-N 0 0 345.471 2.529 10 10 EFCERN COc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ncn1 ZINC001136705195 1289268443 /nfs/dbraw/zinc/26/84/43/1289268443.db2.gz DUBLPMZPXNIZRN-UHFFFAOYSA-N 0 0 340.427 2.652 10 10 EFCERN CCOC(=O)CN(Cc1ccc(C)nc1C)Cc1ccccc1O ZINC000823576336 1289336667 /nfs/dbraw/zinc/33/66/67/1289336667.db2.gz NABNOVRMWGMIPT-UHFFFAOYSA-N 0 0 328.412 2.969 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CSC3(C)C)C2)cc1 ZINC000823584348 1289338652 /nfs/dbraw/zinc/33/86/52/1289338652.db2.gz DZGJTWPKJONQKU-CJNGLKHVSA-N 0 0 349.500 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000823552044 1289372729 /nfs/dbraw/zinc/37/27/29/1289372729.db2.gz MDBRBJHDWVWSQX-DOPJRALCSA-N 0 0 329.444 2.619 10 10 EFCERN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000823834587 1289463401 /nfs/dbraw/zinc/46/34/01/1289463401.db2.gz JYSZBDXWSHVMNU-BXWFABGCSA-N 0 0 346.471 2.906 10 10 EFCERN CCOC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000823835107 1289464162 /nfs/dbraw/zinc/46/41/62/1289464162.db2.gz SNOCRQDDODKWSG-HNNXBMFYSA-N 0 0 332.444 2.660 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(C(=O)NC2CC2)cc1 ZINC001180409541 1289527269 /nfs/dbraw/zinc/52/72/69/1289527269.db2.gz APBZPNOGFGDGIZ-UHFFFAOYSA-N 0 0 344.798 2.868 10 10 EFCERN Cc1cnn(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2F)c1 ZINC001136865172 1289625771 /nfs/dbraw/zinc/62/57/71/1289625771.db2.gz GXRXEWRGDQVTRT-UHFFFAOYSA-N 0 0 341.342 2.912 10 10 EFCERN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)c(N(C)C)nn1 ZINC000824534733 1289689414 /nfs/dbraw/zinc/68/94/14/1289689414.db2.gz JDVZMBCWWNWHPC-UHFFFAOYSA-N 0 0 342.447 2.547 10 10 EFCERN CN1CCCN(C(=O)Cc2ccc(O)c(O)c2)c2cc(F)ccc21 ZINC001136907293 1289726234 /nfs/dbraw/zinc/72/62/34/1289726234.db2.gz HLYQHRGWPXFDKW-UHFFFAOYSA-N 0 0 330.359 2.653 10 10 EFCERN COCC1(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000825722505 1290242983 /nfs/dbraw/zinc/24/29/83/1290242983.db2.gz YRYWHOILUBNABU-UHFFFAOYSA-N 0 0 331.460 2.903 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCCCSc1nccs1)CCO2 ZINC000874466200 1290275971 /nfs/dbraw/zinc/27/59/71/1290275971.db2.gz HFDLLOZKQGQUSD-GJZGRUSLSA-N 0 0 342.486 2.675 10 10 EFCERN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001185282736 1290636531 /nfs/dbraw/zinc/63/65/31/1290636531.db2.gz VPHJFRVNPPWGAN-VIFPVBQESA-N 0 0 331.328 2.581 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(N2CCOCC2)cc1 ZINC000875857291 1290685376 /nfs/dbraw/zinc/68/53/76/1290685376.db2.gz YPQCPVVRDDCETH-PEZBUJJGSA-N 0 0 337.423 2.985 10 10 EFCERN COC(=O)c1ccc(N(Cc2ccco2)Cc2ccccc2O)nn1 ZINC001185948999 1290788933 /nfs/dbraw/zinc/78/89/33/1290788933.db2.gz MOEBKTXRAGOTGQ-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1c(C)nn(C)c1C ZINC000775028590 1290972093 /nfs/dbraw/zinc/97/20/93/1290972093.db2.gz DYZMRZRBCAXYGA-CYBMUJFWSA-N 0 0 348.403 2.900 10 10 EFCERN COC(=O)c1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000825894949 1290986972 /nfs/dbraw/zinc/98/69/72/1290986972.db2.gz FJYKIMMKSBKBMJ-UHFFFAOYSA-N 0 0 330.775 2.605 10 10 EFCERN COc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1OC ZINC000795691403 1291201510 /nfs/dbraw/zinc/20/15/10/1291201510.db2.gz LBMDHVJWKQGUHX-YMTOWFKASA-N 0 0 335.322 2.561 10 10 EFCERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1c(O)cccc1O ZINC001187717187 1291218548 /nfs/dbraw/zinc/21/85/48/1291218548.db2.gz RATFVPUWUXJSIC-UHFFFAOYSA-N 0 0 332.312 2.713 10 10 EFCERN O=[N+]([O-])c1cn(Cc2ccc(N3CCOCC3)cc2)nc1C1CC1 ZINC000877889510 1291406801 /nfs/dbraw/zinc/40/68/01/1291406801.db2.gz ZELMRFZVRYEZPN-UHFFFAOYSA-N 0 0 328.372 2.554 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccnc1SC ZINC000878009151 1291450882 /nfs/dbraw/zinc/45/08/82/1291450882.db2.gz UHMITUOCISBAJG-UHFFFAOYSA-N 0 0 330.457 2.927 10 10 EFCERN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849057 1291553441 /nfs/dbraw/zinc/55/34/41/1291553441.db2.gz DRZWUFXZTDZKPC-MLGOLLRUSA-N 0 0 343.383 2.828 10 10 EFCERN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c1O ZINC000878940737 1291883776 /nfs/dbraw/zinc/88/37/76/1291883776.db2.gz LRMRNGFNLRVAIQ-HNNXBMFYSA-N 0 0 332.379 2.553 10 10 EFCERN OCC1(c2ccccc2)CN(Cc2ccc(Br)cc2O)C1 ZINC000826123052 1292249279 /nfs/dbraw/zinc/24/92/79/1292249279.db2.gz DUPNRIVMWJEAMN-UHFFFAOYSA-N 0 0 348.240 2.901 10 10 EFCERN O=S(=O)(NCc1cc(Br)ccc1O)c1ccsc1 ZINC000796190789 1292382918 /nfs/dbraw/zinc/38/29/18/1292382918.db2.gz DYYPBGBPNCAITQ-UHFFFAOYSA-N 0 0 348.243 2.695 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc(-c3cn(C)nc3C)nn2)c1O ZINC000880999774 1292714689 /nfs/dbraw/zinc/71/46/89/1292714689.db2.gz SFZPCATWWAMMGC-UHFFFAOYSA-N 0 0 345.790 2.597 10 10 EFCERN CC(=O)CCCc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999362 1292715058 /nfs/dbraw/zinc/71/50/58/1292715058.db2.gz MFZIGJANZVYCGG-UHFFFAOYSA-N 0 0 335.791 2.800 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc(CCC[C@@H](C)O)nn2)c1O ZINC000880999079 1292715233 /nfs/dbraw/zinc/71/52/33/1292715233.db2.gz FWKMNZWKGUTZRJ-SNVBAGLBSA-N 0 0 337.807 2.592 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000796303690 1292820877 /nfs/dbraw/zinc/82/08/77/1292820877.db2.gz CSFPPNKRSWLFOG-AMIZOPFISA-N 0 0 335.297 2.886 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC[C@]23CCCO3)c1 ZINC000883910342 1293779882 /nfs/dbraw/zinc/77/98/82/1293779882.db2.gz QODVIZUZBQCJLH-NJAPINKUSA-N 0 0 334.416 2.863 10 10 EFCERN COCCCOCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000775645156 1293848362 /nfs/dbraw/zinc/84/83/62/1293848362.db2.gz XABPSGSMPJQCIS-UHFFFAOYSA-N 0 0 344.455 2.806 10 10 EFCERN CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc(C)c1O ZINC000775647812 1293859052 /nfs/dbraw/zinc/85/90/52/1293859052.db2.gz AYHDHNNMQLKRHZ-CYBMUJFWSA-N 0 0 329.849 2.835 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)/C=C\c2ccccc2F)c1 ZINC000800058067 1293898414 /nfs/dbraw/zinc/89/84/14/1293898414.db2.gz GPQXRGNDUFELFC-HJWRWDBZSA-N 0 0 337.372 2.630 10 10 EFCERN COc1cccc(CNS(=O)(=O)Cc2cc(C)cc(C)c2)c1O ZINC000800057601 1293898685 /nfs/dbraw/zinc/89/86/85/1293898685.db2.gz IBDVMPAVFYVDMO-UHFFFAOYSA-N 0 0 335.425 2.637 10 10 EFCERN C[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000867124410 1294005259 /nfs/dbraw/zinc/00/52/59/1294005259.db2.gz ASGOWDPARYEQBL-AAEUAGOBSA-N 0 0 332.416 2.778 10 10 EFCERN C[C@@H](NS(=O)(=O)CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000867125997 1294007784 /nfs/dbraw/zinc/00/77/84/1294007784.db2.gz RYTUZBOJPMWZGF-CYBMUJFWSA-N 0 0 328.478 2.548 10 10 EFCERN COc1ccc(N(C)CCN(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC001195789083 1294035640 /nfs/dbraw/zinc/03/56/40/1294035640.db2.gz JSEHQAAQBJLCQW-KRWDZBQOSA-N 0 0 349.519 2.956 10 10 EFCERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC000775739787 1294356382 /nfs/dbraw/zinc/35/63/82/1294356382.db2.gz RWFRAMVNZHZZTG-VHDGCEQUSA-N 0 0 329.799 2.953 10 10 EFCERN COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)cc(C)c1O ZINC000775741723 1294366365 /nfs/dbraw/zinc/36/63/65/1294366365.db2.gz PUSASRJWGQJHOE-CQSZACIVSA-N 0 0 329.824 2.752 10 10 EFCERN CC(=O)C(=O)COC(=O)Cc1c(C)cc(C)c(Br)c1C ZINC000885496189 1294430226 /nfs/dbraw/zinc/43/02/26/1294430226.db2.gz DOPXRRQBOJWZJG-UHFFFAOYSA-N 0 0 341.201 2.618 10 10 EFCERN Cc1cc(Br)c(O)c(CNc2n[nH]c3c2COCC3)c1 ZINC000886206196 1294763948 /nfs/dbraw/zinc/76/39/48/1294763948.db2.gz LVLOMSHSNSPVLM-UHFFFAOYSA-N 0 0 338.205 2.871 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC(CCO)C3)c2C)cc1 ZINC000775821501 1294881696 /nfs/dbraw/zinc/88/16/96/1294881696.db2.gz CWRNPHUCGSCSRX-UHFFFAOYSA-N 0 0 328.412 2.557 10 10 EFCERN COC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000886359309 1294887300 /nfs/dbraw/zinc/88/73/00/1294887300.db2.gz ANHIHHAIQOHXSH-GXTWGEPZSA-N 0 0 344.249 2.686 10 10 EFCERN COCc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)co1 ZINC000775843271 1294994853 /nfs/dbraw/zinc/99/48/53/1294994853.db2.gz FHZUXCBLTXSEHV-UHFFFAOYSA-N 0 0 343.427 2.987 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC000867301638 1295420501 /nfs/dbraw/zinc/42/05/01/1295420501.db2.gz CWPIZEKZENVYKS-CLUVUEOHSA-N 0 0 349.427 2.513 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000826692170 1295952020 /nfs/dbraw/zinc/95/20/20/1295952020.db2.gz BUDIESUQKVMVHZ-BQLWYNFJSA-N 0 0 346.383 2.786 10 10 EFCERN COc1cccc(CNC(=O)NCc2noc3ccc(F)cc23)c1O ZINC001235319588 1313289005 /nfs/dbraw/zinc/28/90/05/1313289005.db2.gz ROZQUYJTCQLDDD-UHFFFAOYSA-N 0 0 345.330 2.681 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)c(O)c1O ZINC000925308438 1296824200 /nfs/dbraw/zinc/82/42/00/1296824200.db2.gz QJLOSGCBLYQCFU-OAHLLOKOSA-N 0 0 340.379 3.000 10 10 EFCERN CCc1noc([C@H]2CC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2)n1 ZINC000927345618 1297009417 /nfs/dbraw/zinc/00/94/17/1297009417.db2.gz JWKQQLIDXAIDAB-GXTWGEPZSA-N 0 0 344.415 2.815 10 10 EFCERN O=C(NCc1c(O)cccc1F)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000928709803 1297126127 /nfs/dbraw/zinc/12/61/27/1297126127.db2.gz MAJIEEMRZJZAEU-UHFFFAOYSA-N 0 0 343.354 2.651 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccnc3[nH]cnc32)cc1F ZINC000777859100 1297218063 /nfs/dbraw/zinc/21/80/63/1297218063.db2.gz HIBJZIYRARWQDO-UHFFFAOYSA-N 0 0 341.390 2.873 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCc3nc[nH]c3C23CCC3)c1O ZINC000931678277 1297359581 /nfs/dbraw/zinc/35/95/81/1297359581.db2.gz WELLPDFYXMSYMK-UHFFFAOYSA-N 0 0 329.375 2.895 10 10 EFCERN [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C(F)(F)F ZINC000903983867 1313536201 /nfs/dbraw/zinc/53/62/01/1313536201.db2.gz MYFPWYMJYPGLHO-GXSJLCMTSA-N 0 0 326.721 2.896 10 10 EFCERN COc1cc(N(C)Cc2onc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000851782997 1299392834 /nfs/dbraw/zinc/39/28/34/1299392834.db2.gz GIBNBWJFPQZYBE-UHFFFAOYSA-N 0 0 337.332 2.553 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C)cs3)C2)cc1 ZINC000851930246 1299469671 /nfs/dbraw/zinc/46/96/71/1299469671.db2.gz YWMCCAHQVGMXFO-ZDUSSCGKSA-N 0 0 346.456 2.538 10 10 EFCERN C[C@H](NCC1=NS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000851951671 1299481971 /nfs/dbraw/zinc/48/19/71/1299481971.db2.gz ZQSGSVODKAFHOR-ZDUSSCGKSA-N 0 0 343.452 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccsc3)C2)cc1 ZINC000851958874 1299487154 /nfs/dbraw/zinc/48/71/54/1299487154.db2.gz FPVGIZXCLHGITJ-AWEZNQCLSA-N 0 0 331.441 2.835 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000851991632 1299496062 /nfs/dbraw/zinc/49/60/62/1299496062.db2.gz SPMNFSANTGAEHO-JCNLHEQBSA-N 0 0 349.500 2.607 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCC(F)(F)F)C2)cc1 ZINC000852159131 1299570376 /nfs/dbraw/zinc/57/03/76/1299570376.db2.gz OYEXDRNVMNWLCO-NSHDSACASA-N 0 0 331.338 2.526 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852235443 1299609855 /nfs/dbraw/zinc/60/98/55/1299609855.db2.gz QGGUWJPJFGLUCN-FZKCQIBNSA-N 0 0 347.459 2.529 10 10 EFCERN COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852260868 1299621591 /nfs/dbraw/zinc/62/15/91/1299621591.db2.gz FLOTWKLVDPXIPB-KBXCAEBGSA-N 0 0 349.475 2.554 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NOC3CCCCC3)C2)cc1 ZINC000852267544 1299624188 /nfs/dbraw/zinc/62/41/88/1299624188.db2.gz VOPYVSKAAIXSMC-AWEZNQCLSA-N 0 0 333.432 2.837 10 10 EFCERN CCC(O)(CC)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852273515 1299626697 /nfs/dbraw/zinc/62/66/97/1299626697.db2.gz BUFKGKNEXNXIJB-HNNXBMFYSA-N 0 0 349.475 2.514 10 10 EFCERN CCC(O)(CC)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852273516 1299626936 /nfs/dbraw/zinc/62/69/36/1299626936.db2.gz BUFKGKNEXNXIJB-OAHLLOKOSA-N 0 0 349.475 2.514 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCC(C)(F)F)C2)cc1 ZINC000852359870 1299676085 /nfs/dbraw/zinc/67/60/85/1299676085.db2.gz YWVNBYORHSGWNS-GFCCVEGCSA-N 0 0 327.375 2.618 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C3(OC)CCC3)C2)cc1 ZINC000852382647 1299684505 /nfs/dbraw/zinc/68/45/05/1299684505.db2.gz JHHKRZXPDITESV-HUUCEWRRSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3C3CCC3)C2)cc1 ZINC000852388179 1299685097 /nfs/dbraw/zinc/68/50/97/1299685097.db2.gz KDLRZHKNPSCDFI-JCGIZDLHSA-N 0 0 329.444 2.762 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3OC)C2)cc1 ZINC000852396949 1299689511 /nfs/dbraw/zinc/68/95/11/1299689511.db2.gz DZECTAILTRPHSO-BMGDILEWSA-N 0 0 347.459 2.531 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000852397985 1299689627 /nfs/dbraw/zinc/68/96/27/1299689627.db2.gz XTJNVCLGGNJNIY-YESZJQIVSA-N 0 0 343.471 2.636 10 10 EFCERN COC1CCN(c2ccc(CN3CC[C@@H](O)C(F)(F)C3)cc2)CC1 ZINC000852414110 1299694677 /nfs/dbraw/zinc/69/46/77/1299694677.db2.gz JUQSJXXFEBZWNF-QGZVFWFLSA-N 0 0 340.414 2.504 10 10 EFCERN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000852417425 1299698630 /nfs/dbraw/zinc/69/86/30/1299698630.db2.gz LRELJMZSSJBQRU-ZDUSSCGKSA-N 0 0 332.473 2.518 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(F)(F)CC3)C2)cc1 ZINC000852451969 1299708816 /nfs/dbraw/zinc/70/88/16/1299708816.db2.gz RVLUYBQCMRVTDY-CYBMUJFWSA-N 0 0 339.386 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@H](F)C3)C2)cc1 ZINC000852456482 1299710279 /nfs/dbraw/zinc/71/02/79/1299710279.db2.gz YITIEMMTBJPKRV-JKIFEVAISA-N 0 0 335.423 2.663 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000852562952 1299757889 /nfs/dbraw/zinc/75/78/89/1299757889.db2.gz NPLMDLGNLYKXDN-IRXDYDNUSA-N 0 0 326.396 2.764 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[C@H](C)O2)cc1 ZINC000852582639 1299770758 /nfs/dbraw/zinc/77/07/58/1299770758.db2.gz XVTOCXLCJJVGIV-MAUKXSAKSA-N 0 0 349.475 2.730 10 10 EFCERN CC1(C)CC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000852699368 1299821379 /nfs/dbraw/zinc/82/13/79/1299821379.db2.gz KCVSVVHXFMFYRM-UHFFFAOYSA-N 0 0 349.450 2.775 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCCc2n[nH]cc2C1 ZINC000852975314 1299954645 /nfs/dbraw/zinc/95/46/45/1299954645.db2.gz NYFRNLICNOVFJH-UHFFFAOYSA-N 0 0 337.474 2.506 10 10 EFCERN C[C@@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000852981396 1299958281 /nfs/dbraw/zinc/95/82/81/1299958281.db2.gz MQOMORUZOHWURY-CYBMUJFWSA-N 0 0 327.432 2.695 10 10 EFCERN COc1ccc(N2CCN(c3cc(=O)[nH]c4cccnc43)CC2)cc1 ZINC000853085783 1300003328 /nfs/dbraw/zinc/00/33/28/1300003328.db2.gz ZAXOMLAAVWKFDR-UHFFFAOYSA-N 0 0 336.395 2.671 10 10 EFCERN Cc1cc(CC(=O)OCCCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000853112004 1300012309 /nfs/dbraw/zinc/01/23/09/1300012309.db2.gz MOYLQUNVFLUINS-UHFFFAOYSA-N 0 0 349.452 2.615 10 10 EFCERN C[C@@H](O)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000853244481 1300064120 /nfs/dbraw/zinc/06/41/20/1300064120.db2.gz MNEPSFPWJPKMHU-RDTXWAMCSA-N 0 0 327.428 2.674 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NCC(O)(C1CC1)C1CC1 ZINC000853411954 1300108164 /nfs/dbraw/zinc/10/81/64/1300108164.db2.gz REAVTLKHNBDAGX-UHFFFAOYSA-N 0 0 343.471 2.637 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000853456215 1300121476 /nfs/dbraw/zinc/12/14/76/1300121476.db2.gz HBXLVDFRUXZYPA-SJORKVTESA-N 0 0 331.460 2.636 10 10 EFCERN CC[C@@](C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000853475054 1300127883 /nfs/dbraw/zinc/12/78/83/1300127883.db2.gz XQWGZKHAJOLHPL-LJQANCHMSA-N 0 0 331.460 2.901 10 10 EFCERN Cc1cccc([C@@H]2C(=O)NCCN2Cc2cc3c(cc2O)CCC3)c1 ZINC000853600618 1300186078 /nfs/dbraw/zinc/18/60/78/1300186078.db2.gz FJNQRPPUSPWGCP-HXUWFJFHSA-N 0 0 336.435 2.862 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000853737882 1300251673 /nfs/dbraw/zinc/25/16/73/1300251673.db2.gz MPLJUOGKWUOWRG-BPQIPLTHSA-N 0 0 342.370 2.677 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)cc1 ZINC000853759295 1300262140 /nfs/dbraw/zinc/26/21/40/1300262140.db2.gz RNIGWEJORRNECA-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN CCOC(=O)c1coc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759324 1300262670 /nfs/dbraw/zinc/26/26/70/1300262670.db2.gz SHDYECIKCCJYEI-GFCCVEGCSA-N 0 0 331.372 2.551 10 10 EFCERN CCn1cnc2c1ncnc2N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759122 1300262700 /nfs/dbraw/zinc/26/27/00/1300262700.db2.gz PNCCZAPLOOKFAK-CYBMUJFWSA-N 0 0 338.415 2.546 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)cc1 ZINC000853760905 1300263726 /nfs/dbraw/zinc/26/37/26/1300263726.db2.gz NUSIYONFIUTLTI-NSHDSACASA-N 0 0 348.790 2.765 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncnc4onc(C)c43)C2)cc1 ZINC000853761426 1300263882 /nfs/dbraw/zinc/26/38/82/1300263882.db2.gz SVDCNRNZHCCYQD-LBPRGKRZSA-N 0 0 325.372 2.626 10 10 EFCERN COCC1(C2CCC2)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000853810603 1300287289 /nfs/dbraw/zinc/28/72/89/1300287289.db2.gz BDHBFWQVOOADBM-UHFFFAOYSA-N 0 0 336.388 2.865 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C(=O)c3ccc(C)cc3)C2)cc1 ZINC000853817642 1300292494 /nfs/dbraw/zinc/29/24/94/1300292494.db2.gz IWOCDIGYYQPYSF-INIZCTEOSA-N 0 0 338.407 2.581 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3ccc(C)cc3)C2)cc1 ZINC000853817643 1300293257 /nfs/dbraw/zinc/29/32/57/1300293257.db2.gz IWOCDIGYYQPYSF-MRXNPFEDSA-N 0 0 338.407 2.581 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(C)cs3)C2)cc1 ZINC000853818023 1300293264 /nfs/dbraw/zinc/29/32/64/1300293264.db2.gz QRWCVEPNPFNCOO-GFCCVEGCSA-N 0 0 332.429 2.861 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCC[C@@](O)(C2CC2)C1 ZINC000853855834 1300310741 /nfs/dbraw/zinc/31/07/41/1300310741.db2.gz HQYXOQBBUAGHOR-HNNXBMFYSA-N 0 0 341.502 2.572 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000854177164 1300462328 /nfs/dbraw/zinc/46/23/28/1300462328.db2.gz SEFBKCJVCVNAME-OAGGEKHMSA-N 0 0 347.503 2.650 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC4CC3(C)C4)C2)cc1 ZINC000854188260 1300466076 /nfs/dbraw/zinc/46/60/76/1300466076.db2.gz ZXORIVGNHOOHKG-TZGCNFNXSA-N 0 0 329.444 2.715 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)cc1 ZINC000854198503 1300468481 /nfs/dbraw/zinc/46/84/81/1300468481.db2.gz LBZDGRAJRKKTQV-OAHLLOKOSA-N 0 0 328.412 2.816 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1 ZINC000854271347 1300497853 /nfs/dbraw/zinc/49/78/53/1300497853.db2.gz DHGDVPOLBAXHHG-RTBURBONSA-N 0 0 340.423 2.526 10 10 EFCERN Cc1cc(CC(=O)N(C)CC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000854291002 1300503959 /nfs/dbraw/zinc/50/39/59/1300503959.db2.gz MEPFRSZIPIGWFI-UHFFFAOYSA-N 0 0 341.455 2.620 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC34CCC(CC3)C4)C2)cc1 ZINC000854298339 1300504461 /nfs/dbraw/zinc/50/44/61/1300504461.db2.gz AUUWSCQCVYIOOS-HVEKOLDVSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(C3)CCCC4)C2)cc1 ZINC000854298875 1300504780 /nfs/dbraw/zinc/50/47/80/1300504780.db2.gz JFIWIEWUIQWQRV-OAHLLOKOSA-N 0 0 329.444 2.860 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccn3)C2)cc1 ZINC000854301224 1300506457 /nfs/dbraw/zinc/50/64/57/1300506457.db2.gz LILQLRPHHQDUFS-INIZCTEOSA-N 0 0 340.427 2.511 10 10 EFCERN Cc1cc(CC(=O)NCC2([S@](C)=O)CC2)c(C)n1-c1ccccc1 ZINC000854338245 1300525465 /nfs/dbraw/zinc/52/54/65/1300525465.db2.gz QEXSORMAZAAGNJ-DEOSSOPVSA-N 0 0 344.480 2.664 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cnc2n1CCOC2 ZINC000854373107 1300539006 /nfs/dbraw/zinc/53/90/06/1300539006.db2.gz BDMKUYIKGRDGQV-UHFFFAOYSA-N 0 0 329.400 2.561 10 10 EFCERN Cc1cc(CC(=O)NCC(C)(C)OCCO)c(C)n1-c1ccccc1 ZINC000854483134 1300586172 /nfs/dbraw/zinc/58/61/72/1300586172.db2.gz FYCLHMVQQCMAIK-UHFFFAOYSA-N 0 0 344.455 2.540 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)cc1 ZINC000855223516 1300845462 /nfs/dbraw/zinc/84/54/62/1300845462.db2.gz BBKGTBWKACMYLA-ZBFHGGJFSA-N 0 0 334.460 2.577 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3C(C)(C)C)C2)cc1 ZINC000855223529 1300845878 /nfs/dbraw/zinc/84/58/78/1300845878.db2.gz BIFZFEGGGZSMBH-CYBMUJFWSA-N 0 0 342.443 2.725 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CC3(CSC)CC3)C2)cc1 ZINC000855223155 1300845893 /nfs/dbraw/zinc/84/58/93/1300845893.db2.gz FPKFXFOVURWFJO-AWEZNQCLSA-N 0 0 334.485 2.923 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C=C/C3(C)CCOCC3)C2)cc1 ZINC000855223958 1300846437 /nfs/dbraw/zinc/84/64/37/1300846437.db2.gz JOLFAPWMDDGUMT-DYLHUKMJSA-N 0 0 344.455 2.763 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nc(C4CC4)oc3C)C2)cc1 ZINC000855224451 1300846677 /nfs/dbraw/zinc/84/66/77/1300846677.db2.gz GGHPEWAGLYXFBH-AWEZNQCLSA-N 0 0 341.411 2.878 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(Cl)c(F)c3)C2)cc1 ZINC000855224300 1300846772 /nfs/dbraw/zinc/84/67/72/1300846772.db2.gz JPGKOZYOZSMEIN-LBPRGKRZSA-N 0 0 349.793 2.891 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](OC)C3CCCCC3)C2)cc1 ZINC000855224414 1300847001 /nfs/dbraw/zinc/84/70/01/1300847001.db2.gz FYAWHPMQKVIYTI-APWZRJJASA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)sc3C)C2)cc1 ZINC000855224778 1300847157 /nfs/dbraw/zinc/84/71/57/1300847157.db2.gz LGGGMBDZVFDEFU-CYBMUJFWSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cncc(Cl)c3)C2)cc1 ZINC000855224022 1300847238 /nfs/dbraw/zinc/84/72/38/1300847238.db2.gz JVWPICHJYCSJJQ-AWEZNQCLSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C3CCOCC3)C2)cc1 ZINC000855226578 1300848174 /nfs/dbraw/zinc/84/81/74/1300848174.db2.gz QRUGMGMPLPUGOS-INIZCTEOSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4cnccc4n3)C2)cc1 ZINC000855226905 1300848244 /nfs/dbraw/zinc/84/82/44/1300848244.db2.gz VKKGWFVITCXGCX-HNNXBMFYSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000855227004 1300848279 /nfs/dbraw/zinc/84/82/79/1300848279.db2.gz SHEYYWLZRTYRAH-MPGHIAIKSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)cc1 ZINC000855226968 1300848384 /nfs/dbraw/zinc/84/83/84/1300848384.db2.gz RRDKIRPESGQXNS-FOIQADDNSA-N 0 0 346.471 2.721 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Cc3ccco3)C2)cc1 ZINC000855227290 1300848400 /nfs/dbraw/zinc/84/84/00/1300848400.db2.gz UYXSRTRUHLDJCX-GJZGRUSLSA-N 0 0 328.412 2.862 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3occ4c3CCC4)C2)cc1 ZINC000855226684 1300848418 /nfs/dbraw/zinc/84/84/18/1300848418.db2.gz PUGSBNDMECWJRM-AWEZNQCLSA-N 0 0 326.396 2.786 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccc(F)cc43)C2)cc1 ZINC000855227427 1300848455 /nfs/dbraw/zinc/84/84/55/1300848455.db2.gz YOXFOIGPAVFUIE-DNVCBOLYSA-N 0 0 340.398 2.869 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3cnccc3Cl)C2)cc1 ZINC000855227264 1300849052 /nfs/dbraw/zinc/84/90/52/1300849052.db2.gz UQHGYRFGXKSJFT-AWEZNQCLSA-N 0 0 345.830 2.681 10 10 EFCERN CCc1c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccn1C ZINC000855227462 1300849372 /nfs/dbraw/zinc/84/93/72/1300849372.db2.gz WWGLSFSUFPLHPG-CQSZACIVSA-N 0 0 327.428 2.605 10 10 EFCERN CCc1ccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000855227551 1300849612 /nfs/dbraw/zinc/84/96/12/1300849612.db2.gz XTSHQHXBSLDVHS-KRWDZBQOSA-N 0 0 339.439 2.590 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4cnccc4n3)C2)cc1 ZINC000855226907 1300849757 /nfs/dbraw/zinc/84/97/57/1300849757.db2.gz VKKGWFVITCXGCX-OAHLLOKOSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000855229311 1300850029 /nfs/dbraw/zinc/85/00/29/1300850029.db2.gz MNOCWYYATAWRAE-AWEZNQCLSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nccnc4c3)C2)cc1 ZINC000855229536 1300850135 /nfs/dbraw/zinc/85/01/35/1300850135.db2.gz PBMIHAPLVLBRKK-OAHLLOKOSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ncoc3C(C)C)C2)cc1 ZINC000855230290 1300850175 /nfs/dbraw/zinc/85/01/75/1300850175.db2.gz FSMFSJZXWVXRHJ-ZDUSSCGKSA-N 0 0 329.400 2.815 10 10 EFCERN CNc1ccccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230437 1300850310 /nfs/dbraw/zinc/85/03/10/1300850310.db2.gz DHHWCZXFALLCDW-AWEZNQCLSA-N 0 0 325.412 2.746 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000855229659 1300850444 /nfs/dbraw/zinc/85/04/44/1300850444.db2.gz LDXNQLXZDVSHGR-WFASDCNBSA-N 0 0 343.427 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COCc3ccccc3)C2)cc1 ZINC000855230133 1300851385 /nfs/dbraw/zinc/85/13/85/1300851385.db2.gz TVMDNKSSRMDUSW-KRWDZBQOSA-N 0 0 340.423 2.607 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3CCCCO3)C2)cc1 ZINC000855232429 1300852540 /nfs/dbraw/zinc/85/25/40/1300852540.db2.gz TZIIFXPPIROGRR-QAPCUYQASA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)C)nn3C)C2)cc1 ZINC000855231446 1300852701 /nfs/dbraw/zinc/85/27/01/1300852701.db2.gz MTSPEXHCTCGTSX-CQSZACIVSA-N 0 0 342.443 2.561 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3CCCCO3)C2)cc1 ZINC000855232430 1300852738 /nfs/dbraw/zinc/85/27/38/1300852738.db2.gz TZIIFXPPIROGRR-YJBOKZPZSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cncnc3C(C)C)C2)cc1 ZINC000855230965 1300852982 /nfs/dbraw/zinc/85/29/82/1300852982.db2.gz GZLIPLPBCTYOHO-AWEZNQCLSA-N 0 0 340.427 2.617 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC000855232427 1300853018 /nfs/dbraw/zinc/85/30/18/1300853018.db2.gz TZIIFXPPIROGRR-CRAIPNDOSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4n[nH]cc4c3)C2)cc1 ZINC000855232377 1300853270 /nfs/dbraw/zinc/85/32/70/1300853270.db2.gz QTYBHGRQGPKNQE-HNNXBMFYSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(OC)c3)C2)cc1 ZINC000855234888 1300854404 /nfs/dbraw/zinc/85/44/04/1300854404.db2.gz PIIXVHIVPWTBLG-INIZCTEOSA-N 0 0 340.423 2.641 10 10 EFCERN COc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855235052 1300854881 /nfs/dbraw/zinc/85/48/81/1300854881.db2.gz VSHWDZPDIDKTKE-HNNXBMFYSA-N 0 0 326.396 2.713 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccc(OC)c3)C2)cc1 ZINC000855234889 1300855022 /nfs/dbraw/zinc/85/50/22/1300855022.db2.gz PIIXVHIVPWTBLG-MRXNPFEDSA-N 0 0 340.423 2.641 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C(F)(F)C2)cc1 ZINC000855448565 1300961413 /nfs/dbraw/zinc/96/14/13/1300961413.db2.gz QKHLWQZXNUPFLY-INIZCTEOSA-N 0 0 334.366 2.936 10 10 EFCERN Cc1cc(CC(=O)N[C@@H](C)C2(CO)CC2)c(C)n1-c1ccccc1 ZINC000855481064 1300972253 /nfs/dbraw/zinc/97/22/53/1300972253.db2.gz LEKPKVVGDZDLNM-INIZCTEOSA-N 0 0 326.440 2.914 10 10 EFCERN Cc1cc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000859362827 1301445012 /nfs/dbraw/zinc/44/50/12/1301445012.db2.gz MTKBUCABVVVJQT-MAUKXSAKSA-N 0 0 348.468 2.691 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCC12CC2 ZINC000859734134 1301557751 /nfs/dbraw/zinc/55/77/51/1301557751.db2.gz LIFSYRFFSXNDCC-MRXNPFEDSA-N 0 0 346.446 2.983 10 10 EFCERN Cc1noc(C)c1N(C)C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000859762177 1301569567 /nfs/dbraw/zinc/56/95/67/1301569567.db2.gz YOJVLMOMSKNAKV-ZDUSSCGKSA-N 0 0 335.404 2.868 10 10 EFCERN COC1CCN(c2ccc(CN3CCO[C@H](CCF)C3)cc2)CC1 ZINC000859908838 1301633689 /nfs/dbraw/zinc/63/36/89/1301633689.db2.gz PXCIFJPBSVTCRP-LJQANCHMSA-N 0 0 336.451 2.862 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)COCc1ccnc(OC)c1 ZINC000860048961 1301684281 /nfs/dbraw/zinc/68/42/81/1301684281.db2.gz MAIZXARSDXGGTG-UHFFFAOYSA-N 0 0 344.411 2.751 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000860049636 1301684840 /nfs/dbraw/zinc/68/48/40/1301684840.db2.gz YFMJAMDDCAMHNJ-OAHLLOKOSA-N 0 0 346.427 2.964 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)C(C)C ZINC000860089272 1301696149 /nfs/dbraw/zinc/69/61/49/1301696149.db2.gz DKRQBFUAHMTNKR-SFHVURJKSA-N 0 0 328.412 2.653 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)C(C)C)c1 ZINC000860091215 1301696208 /nfs/dbraw/zinc/69/62/08/1301696208.db2.gz YVTYDCYQOACQMN-GOSISDBHSA-N 0 0 328.412 2.653 10 10 EFCERN COC(=O)C1C[C@H](C)N(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189333 1301735333 /nfs/dbraw/zinc/73/53/33/1301735333.db2.gz SCQOQSMVRJMQSV-QWRGUYRKSA-N 0 0 337.391 2.896 10 10 EFCERN CC(C)(C)Oc1cccc(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000860234278 1301749751 /nfs/dbraw/zinc/74/97/51/1301749751.db2.gz DNWJWCNQKGPDAJ-UHFFFAOYSA-N 0 0 330.384 2.643 10 10 EFCERN Cc1ccccc1CO[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000860235163 1301750148 /nfs/dbraw/zinc/75/01/48/1301750148.db2.gz PLASGVFNGYRXAX-CQSZACIVSA-N 0 0 329.396 2.670 10 10 EFCERN CC(C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861508436 1302146954 /nfs/dbraw/zinc/14/69/54/1302146954.db2.gz PJAONWAFPRUWDX-UHFFFAOYSA-N 0 0 325.412 2.722 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C=O)ccc3F)C2)cc1 ZINC000862159336 1302301199 /nfs/dbraw/zinc/30/11/99/1302301199.db2.gz RBSTZPGGRQUZOY-CQSZACIVSA-N 0 0 342.370 2.656 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3conc3C(C)C)C2)cc1 ZINC000862158102 1302301526 /nfs/dbraw/zinc/30/15/26/1302301526.db2.gz BMDONFYLADFHIZ-ZDUSSCGKSA-N 0 0 329.400 2.815 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C=O)ccc3F)C2)cc1 ZINC000862159335 1302301910 /nfs/dbraw/zinc/30/19/10/1302301910.db2.gz RBSTZPGGRQUZOY-AWEZNQCLSA-N 0 0 342.370 2.656 10 10 EFCERN COc1ccc(N(C)Cc2cn(C)nc2Br)cc1F ZINC000862306498 1302332453 /nfs/dbraw/zinc/33/24/53/1302332453.db2.gz LPHPUAJEZBADFO-UHFFFAOYSA-N 0 0 328.185 2.967 10 10 EFCERN C[C@@](CO)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432470 1302383459 /nfs/dbraw/zinc/38/34/59/1302383459.db2.gz FGOJUJHPXQOIDT-INIZCTEOSA-N 0 0 325.767 2.888 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1ccc(N(C)C)cc1 ZINC000862473926 1302393351 /nfs/dbraw/zinc/39/33/51/1302393351.db2.gz CRHYQMMFECQXBM-IBGZPJMESA-N 0 0 342.439 2.635 10 10 EFCERN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)c(C)cc1O ZINC000862516861 1302404539 /nfs/dbraw/zinc/40/45/39/1302404539.db2.gz ZZXPMYMGJSDAPE-SWLSCSKDSA-N 0 0 341.835 2.802 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000862650096 1302433315 /nfs/dbraw/zinc/43/33/15/1302433315.db2.gz NAORLOGUDSEORS-RBUKOAKNSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000862758559 1302451222 /nfs/dbraw/zinc/45/12/22/1302451222.db2.gz CTUCCGDTOSWPJT-DLBZAZTESA-N 0 0 344.455 2.746 10 10 EFCERN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cccc(Br)c1[O-])C2 ZINC000863651237 1302671530 /nfs/dbraw/zinc/67/15/30/1302671530.db2.gz IDQFJLKDKXXPER-GASCZTMLSA-N 0 0 325.250 2.586 10 10 EFCERN Cn1cc(/C=C2\SC(=S)N(C3CC3)C2=O)c(Br)n1 ZINC000864354721 1302898477 /nfs/dbraw/zinc/89/84/77/1302898477.db2.gz ANNYTKBJUQZZHZ-YWEYNIOJSA-N 0 0 344.259 2.546 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(C=O)s3)CC2)cc1 ZINC000864469670 1302942812 /nfs/dbraw/zinc/94/28/12/1302942812.db2.gz AYKUKRVUBIIVLC-UHFFFAOYSA-N 0 0 330.409 2.532 10 10 EFCERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000864635088 1303008038 /nfs/dbraw/zinc/00/80/38/1303008038.db2.gz RPKQZBGEYQYLEK-INIZCTEOSA-N 0 0 339.439 2.680 10 10 EFCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCC(=O)O2)cc1 ZINC000864794392 1303053490 /nfs/dbraw/zinc/05/34/90/1303053490.db2.gz LYAGRISXVSSWHT-QGZVFWFLSA-N 0 0 342.395 2.580 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1C(=O)CC2 ZINC000864954120 1303098152 /nfs/dbraw/zinc/09/81/52/1303098152.db2.gz LPSGZQAXQZCHDV-UHFFFAOYSA-N 0 0 336.391 2.904 10 10 EFCERN Cc1cnc(F)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000865017775 1303122872 /nfs/dbraw/zinc/12/28/72/1303122872.db2.gz ACQQATACCRFHFD-CQSZACIVSA-N 0 0 343.402 2.857 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC000865027655 1303126252 /nfs/dbraw/zinc/12/62/52/1303126252.db2.gz ZBVQVWSCLFSEDS-QGZVFWFLSA-N 0 0 342.443 2.990 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000865027654 1303126697 /nfs/dbraw/zinc/12/66/97/1303126697.db2.gz ZBVQVWSCLFSEDS-KRWDZBQOSA-N 0 0 342.443 2.990 10 10 EFCERN CON1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000865032054 1303128734 /nfs/dbraw/zinc/12/87/34/1303128734.db2.gz YGOLQNRRTLVTMV-UHFFFAOYSA-N 0 0 331.460 2.567 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccn(C(C)(C)C)c2=O)cc1F ZINC000865051515 1303139444 /nfs/dbraw/zinc/13/94/44/1303139444.db2.gz MSILGWNDRFZACF-UHFFFAOYSA-N 0 0 345.418 2.738 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccc3c2C(=O)CC3)cc1F ZINC000865051896 1303139458 /nfs/dbraw/zinc/13/94/58/1303139458.db2.gz XYNSPBYPFTXKHO-UHFFFAOYSA-N 0 0 326.371 2.951 10 10 EFCERN CCO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC000865054388 1303140823 /nfs/dbraw/zinc/14/08/23/1303140823.db2.gz PGHJVFWIEWRLNS-LJQANCHMSA-N 0 0 346.471 2.517 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3c[nH]nc3[C@@H]3CCCO3)ccc21 ZINC000865053652 1303141085 /nfs/dbraw/zinc/14/10/85/1303141085.db2.gz LFOJYZRZGHQOQE-KRWDZBQOSA-N 0 0 340.427 2.574 10 10 EFCERN CC(C)n1ncnc1CNCc1ccc(N2CCSCC2)cc1 ZINC000865417575 1303247525 /nfs/dbraw/zinc/24/75/25/1303247525.db2.gz QABGZZFHCZTNFX-UHFFFAOYSA-N 0 0 331.489 2.702 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865694674 1303368166 /nfs/dbraw/zinc/36/81/66/1303368166.db2.gz KEKFPAOEZWDUIQ-AEMFTRFGSA-N 0 0 338.245 2.976 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000866006089 1303485465 /nfs/dbraw/zinc/48/54/65/1303485465.db2.gz DXCONMNNLWZBKD-LUXYIKNCSA-N 0 0 334.372 2.521 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]12C[C@@H]1CCCC2 ZINC000866213140 1303566151 /nfs/dbraw/zinc/56/61/51/1303566151.db2.gz MDUVZBBXCGQQAB-YWZLYKJASA-N 0 0 346.446 2.983 10 10 EFCERN C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000866437752 1303638861 /nfs/dbraw/zinc/63/88/61/1303638861.db2.gz NPIIIMJPANUKRE-JTQLQIEISA-N 0 0 331.359 2.679 10 10 EFCERN C[C@H]1C[C@@H](NCc2nnc(C3CCOCC3)[nH]2)c2c1c(F)ccc2O ZINC000866441507 1303639891 /nfs/dbraw/zinc/63/98/91/1303639891.db2.gz LNBQNVIQGYBECA-GXFFZTMASA-N 0 0 346.406 2.882 10 10 EFCERN C[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866441544 1303641247 /nfs/dbraw/zinc/64/12/47/1303641247.db2.gz MPPZUWOYQSDURA-JTQLQIEISA-N 0 0 336.823 2.909 10 10 EFCERN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866441975 1303641767 /nfs/dbraw/zinc/64/17/67/1303641767.db2.gz BFMPMFPZGJCXDW-WKEGUHRASA-N 0 0 342.155 2.961 10 10 EFCERN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000866576893 1303694743 /nfs/dbraw/zinc/69/47/43/1303694743.db2.gz BDSDAQSZRNTSMR-CQSZACIVSA-N 0 0 348.468 2.502 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC000866598684 1303705088 /nfs/dbraw/zinc/70/50/88/1303705088.db2.gz MEUKFFDFINATEK-OAHLLOKOSA-N 0 0 343.427 2.602 10 10 EFCERN CC[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866628125 1303717111 /nfs/dbraw/zinc/71/71/11/1303717111.db2.gz KEHHIIAFDMYSFY-INIZCTEOSA-N 0 0 342.443 2.562 10 10 EFCERN CC[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866628126 1303717731 /nfs/dbraw/zinc/71/77/31/1303717731.db2.gz KEHHIIAFDMYSFY-MRXNPFEDSA-N 0 0 342.443 2.562 10 10 EFCERN CN1CCCc2cc(CNS(=O)(=O)C[C@H]3CCC3(F)F)ccc21 ZINC000866674399 1303743490 /nfs/dbraw/zinc/74/34/90/1303743490.db2.gz YOBAJTOVHWFHPF-CQSZACIVSA-N 0 0 344.427 2.534 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](C)CC3)c1 ZINC000866765629 1303784006 /nfs/dbraw/zinc/78/40/06/1303784006.db2.gz XUPGEHKOWAOSEB-RYUDHWBXSA-N 0 0 329.400 2.671 10 10 EFCERN CCO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCOCC1 ZINC000866771255 1303786210 /nfs/dbraw/zinc/78/62/10/1303786210.db2.gz OZRPUJPWAOCZIR-IBGZPJMESA-N 0 0 347.455 2.719 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)OCCC(F)(F)F)C2)cc1 ZINC000867497179 1303834738 /nfs/dbraw/zinc/83/47/38/1303834738.db2.gz NURWWHVLAZJVEX-NSHDSACASA-N 0 0 332.322 2.953 10 10 EFCERN C[C@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1ccc(N(C)C)cc1 ZINC000867502673 1303835346 /nfs/dbraw/zinc/83/53/46/1303835346.db2.gz ADQGEBPCBNQEPO-ZDUSSCGKSA-N 0 0 340.402 2.959 10 10 EFCERN C[C@@H](NC(=O)Cc1cnn2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000867503167 1303836886 /nfs/dbraw/zinc/83/68/86/1303836886.db2.gz GXBMSJNHIFNQIL-CQSZACIVSA-N 0 0 326.444 2.705 10 10 EFCERN CC(C)Oc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867690960 1303911546 /nfs/dbraw/zinc/91/15/46/1303911546.db2.gz OTCUHMINESPKCZ-UHFFFAOYSA-N 0 0 333.409 2.884 10 10 EFCERN CC(C)C(=O)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867691267 1303911962 /nfs/dbraw/zinc/91/19/62/1303911962.db2.gz TZBRPKAKQABVIK-UHFFFAOYSA-N 0 0 345.420 2.935 10 10 EFCERN CCc1nc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cn1CC1CC1 ZINC000867836490 1303978804 /nfs/dbraw/zinc/97/88/04/1303978804.db2.gz UYIJKEOFPGBLLH-LBPRGKRZSA-N 0 0 349.456 2.601 10 10 EFCERN C[C@H](NS(=O)(=O)CCCC1CCOCC1)c1ccccc1O ZINC000867836356 1303979021 /nfs/dbraw/zinc/97/90/21/1303979021.db2.gz PQKBQASKZIAIQZ-ZDUSSCGKSA-N 0 0 327.446 2.579 10 10 EFCERN C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836216 1303979089 /nfs/dbraw/zinc/97/90/89/1303979089.db2.gz JSBFWKCJQKXGDB-KBPBESRZSA-N 0 0 341.473 2.968 10 10 EFCERN C[C@H](NS(=O)(=O)CC1Cc2ccccc2C1)c1ccccc1O ZINC000867836491 1303979295 /nfs/dbraw/zinc/97/92/95/1303979295.db2.gz UYKUOVTXVVQCRU-ZDUSSCGKSA-N 0 0 331.437 2.788 10 10 EFCERN C[C@H](NC(=O)NCc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000868101365 1304124124 /nfs/dbraw/zinc/12/41/24/1304124124.db2.gz RLCDEUYKAAGTBB-ZDUSSCGKSA-N 0 0 341.411 2.654 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)[C@H]1CCOC1 ZINC000868110299 1304131149 /nfs/dbraw/zinc/13/11/49/1304131149.db2.gz YFNRMCIFEWXQRG-WMZOPIPTSA-N 0 0 335.444 2.963 10 10 EFCERN CCNC(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868118050 1304136852 /nfs/dbraw/zinc/13/68/52/1304136852.db2.gz BPCMATXEHOODNS-ZDUSSCGKSA-N 0 0 341.411 2.702 10 10 EFCERN COc1ccccc1[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000868162890 1304163136 /nfs/dbraw/zinc/16/31/36/1304163136.db2.gz KGWVUELQMQZZLU-QGZVFWFLSA-N 0 0 327.384 2.883 10 10 EFCERN C[C@@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868170281 1304168563 /nfs/dbraw/zinc/16/85/63/1304168563.db2.gz JENCIPDYDXGQIT-FZKQIMNGSA-N 0 0 341.411 2.936 10 10 EFCERN C[C@H](NC(=O)NCC[S@](=O)Cc1ccccc1)c1ccccc1O ZINC000868266258 1304215637 /nfs/dbraw/zinc/21/56/37/1304215637.db2.gz PSQFYMNWOZNAOH-BSEYFRJRSA-N 0 0 346.452 2.701 10 10 EFCERN Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3ccccc3O)nc12 ZINC000868330630 1304247926 /nfs/dbraw/zinc/24/79/26/1304247926.db2.gz IQBNPEYJTPTCLS-AWEZNQCLSA-N 0 0 338.411 2.951 10 10 EFCERN COCC[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868493560 1304323341 /nfs/dbraw/zinc/32/33/41/1304323341.db2.gz SQYIYTOKDWZFAN-UONOGXRCSA-N 0 0 332.400 2.993 10 10 EFCERN Cc1ccc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)c(O)c1O ZINC000868499975 1304326555 /nfs/dbraw/zinc/32/65/55/1304326555.db2.gz OJYHHIJQVLQPCB-MRXNPFEDSA-N 0 0 325.364 2.953 10 10 EFCERN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868508146 1304331290 /nfs/dbraw/zinc/33/12/90/1304331290.db2.gz DTZYKTXMEBERPN-NEPJUHHUSA-N 0 0 337.420 2.666 10 10 EFCERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868513578 1304333607 /nfs/dbraw/zinc/33/36/07/1304333607.db2.gz HGJKCPCUSIUZCB-MCIONIFRSA-N 0 0 349.431 2.619 10 10 EFCERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868513580 1304333678 /nfs/dbraw/zinc/33/36/78/1304333678.db2.gz HGJKCPCUSIUZCB-MGPQQGTHSA-N 0 0 349.431 2.619 10 10 EFCERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868513576 1304334032 /nfs/dbraw/zinc/33/40/32/1304334032.db2.gz HGJKCPCUSIUZCB-HZSPNIEDSA-N 0 0 349.431 2.619 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(N(C)C)cc1 ZINC000868515025 1304334842 /nfs/dbraw/zinc/33/48/42/1304334842.db2.gz HMCOSIQFYHVNFC-IBOZADHJSA-N 0 0 329.444 2.536 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000868515859 1304334909 /nfs/dbraw/zinc/33/49/09/1304334909.db2.gz VAJZTTZZYWZYOO-DOPJRALCSA-N 0 0 331.460 2.928 10 10 EFCERN C[C@H](NC(=O)NCc1ccnc(OC(F)F)c1)c1ccccc1O ZINC000868589336 1304370342 /nfs/dbraw/zinc/37/03/42/1304370342.db2.gz CFJQEZVURHRZPU-JTQLQIEISA-N 0 0 337.326 2.949 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000868762732 1304461022 /nfs/dbraw/zinc/46/10/22/1304461022.db2.gz UBTRDBHQHWFYPC-ZLKJLUDKSA-N 0 0 343.349 2.524 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccnn1CC1CCC1 ZINC000868938431 1304541760 /nfs/dbraw/zinc/54/17/60/1304541760.db2.gz STZWXBVJQVADCW-UHFFFAOYSA-N 0 0 336.395 2.867 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NCc2ccnc(F)c2)cc1 ZINC000868957951 1304549089 /nfs/dbraw/zinc/54/90/89/1304549089.db2.gz DZQQVIHYIDOIGE-UHFFFAOYSA-N 0 0 346.406 2.507 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCn4nccc43)ccc21 ZINC000869219058 1304664539 /nfs/dbraw/zinc/66/45/39/1304664539.db2.gz SDONMYKFXALYND-MRXNPFEDSA-N 0 0 339.443 2.600 10 10 EFCERN CC(C)(C)OC(=O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000869443261 1304783362 /nfs/dbraw/zinc/78/33/62/1304783362.db2.gz LGRWRFHMEVKZSG-DXWDOBMASA-N 0 0 334.368 2.775 10 10 EFCERN CC(=O)N1CCC[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000869457735 1304789987 /nfs/dbraw/zinc/78/99/87/1304789987.db2.gz XZVMTJMSXISIHM-LJQANCHMSA-N 0 0 339.439 2.721 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3CCCC34CC4)CC2)c(OC)c1 ZINC000870166961 1305186020 /nfs/dbraw/zinc/18/60/20/1305186020.db2.gz ZAKKIRDXLHGVSP-MRXNPFEDSA-N 0 0 344.455 2.933 10 10 EFCERN Cc1cc(C(=O)NCC[C@@H](O)C(F)F)c(C)n1-c1ccc(F)cc1 ZINC000870415188 1305310313 /nfs/dbraw/zinc/31/03/13/1305310313.db2.gz UZPVMAGRZCTVJC-OAHLLOKOSA-N 0 0 340.345 2.979 10 10 EFCERN Cc1cc(C(=O)NCC[C@H](O)C(F)F)c(C)n1-c1ccc(F)cc1 ZINC000870415187 1305310427 /nfs/dbraw/zinc/31/04/27/1305310427.db2.gz UZPVMAGRZCTVJC-HNNXBMFYSA-N 0 0 340.345 2.979 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)c(O)c1O ZINC000870505324 1305366106 /nfs/dbraw/zinc/36/61/06/1305366106.db2.gz VGDAIKSDTNQPQD-WBVHZDCISA-N 0 0 327.380 2.744 10 10 EFCERN O=C(c1ccc(OCC(F)(F)F)nc1)N1Cc2cccc(O)c2C1 ZINC000871198780 1305884904 /nfs/dbraw/zinc/88/49/04/1305884904.db2.gz OQOVRGCEIBKMTQ-UHFFFAOYSA-N 0 0 338.285 2.884 10 10 EFCERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871198314 1305885320 /nfs/dbraw/zinc/88/53/20/1305885320.db2.gz GZRSDKNAJZTMFI-UHFFFAOYSA-N 0 0 327.428 2.946 10 10 EFCERN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201127 1305887415 /nfs/dbraw/zinc/88/74/15/1305887415.db2.gz PBJWQZRIKVJWHR-HNNXBMFYSA-N 0 0 340.379 2.522 10 10 EFCERN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)NC(=O)C1CCCCC1 ZINC000871200902 1305888092 /nfs/dbraw/zinc/88/80/92/1305888092.db2.gz MGZKIKLXVQQXOV-CYBMUJFWSA-N 0 0 330.428 2.710 10 10 EFCERN O=C(CCCNC(=O)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871200793 1305888382 /nfs/dbraw/zinc/88/83/82/1305888382.db2.gz JAEQPLICSLMBFX-UHFFFAOYSA-N 0 0 342.370 2.584 10 10 EFCERN Cc1nn(CC(F)(F)F)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203059 1305889540 /nfs/dbraw/zinc/88/95/40/1305889540.db2.gz LEVXLNZTFULLGV-UHFFFAOYSA-N 0 0 325.290 2.615 10 10 EFCERN O=C([C@H](C[C@@H]1CCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871206189 1305890504 /nfs/dbraw/zinc/89/05/04/1305890504.db2.gz VUMYKYHSKTXDAF-AAEUAGOBSA-N 0 0 329.318 2.982 10 10 EFCERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CC1)N1Cc2cccc(O)c2C1 ZINC000871206037 1305890952 /nfs/dbraw/zinc/89/09/52/1305890952.db2.gz PCXUQZDZLSDRCX-UHFFFAOYSA-N 0 0 335.363 2.938 10 10 EFCERN O=C(c1cc(F)cc(N2CCOCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871206335 1305890982 /nfs/dbraw/zinc/89/09/82/1305890982.db2.gz ZYQHKFSHSHJMRN-UHFFFAOYSA-N 0 0 342.370 2.524 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1 ZINC000871206171 1305891030 /nfs/dbraw/zinc/89/10/30/1305891030.db2.gz UVAKVSSMJXTTIY-UHFFFAOYSA-N 0 0 340.379 2.899 10 10 EFCERN O=C([C@H]1CCN(c2ccccc2F)C1)N1Cc2cccc(O)c2C1 ZINC000871205719 1305891069 /nfs/dbraw/zinc/89/10/69/1305891069.db2.gz XKSBFSCJEJJVIG-AWEZNQCLSA-N 0 0 326.371 2.900 10 10 EFCERN Cn1ccnc1[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000871204925 1305891339 /nfs/dbraw/zinc/89/13/39/1305891339.db2.gz LJVPJDFLEKSAQE-LBPRGKRZSA-N 0 0 339.317 2.704 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000900337112 1308002985 /nfs/dbraw/zinc/00/29/85/1308002985.db2.gz BAEXGUNCZYGQTF-UHFFFAOYSA-N 0 0 345.468 2.574 10 10 EFCERN CCc1nc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000900434398 1308160636 /nfs/dbraw/zinc/16/06/36/1308160636.db2.gz LKWDYMWMUZDVNC-UHFFFAOYSA-N 0 0 344.434 2.720 10 10 EFCERN COC(=O)CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000900697092 1308544400 /nfs/dbraw/zinc/54/44/00/1308544400.db2.gz HSISZAGTPLQGGG-UHFFFAOYSA-N 0 0 337.397 2.726 10 10 EFCERN CCn1c(Br)ncc1C(=O)N(C)Cc1ccccc1O ZINC000901052363 1309304221 /nfs/dbraw/zinc/30/42/21/1309304221.db2.gz IWJINQRKFYYMSE-UHFFFAOYSA-N 0 0 338.205 2.643 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccc1OC ZINC000901054287 1309307938 /nfs/dbraw/zinc/30/79/38/1309307938.db2.gz VJJHMDLLUMZKGG-GOSISDBHSA-N 0 0 329.396 2.873 10 10 EFCERN Cc1nc(C2CCC2)sc1CC(=O)NCc1ccc(O)c(O)c1 ZINC000901132692 1309566154 /nfs/dbraw/zinc/56/61/54/1309566154.db2.gz VRVMRGZHEUHPQD-UHFFFAOYSA-N 0 0 332.425 2.989 10 10 EFCERN CCC/C=C/[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901173651 1309695862 /nfs/dbraw/zinc/69/58/62/1309695862.db2.gz ACWCSGMUEFVCIK-FIWLAHSASA-N 0 0 333.428 2.617 10 10 EFCERN Cc1[nH]nc(Cl)c1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901176026 1309702951 /nfs/dbraw/zinc/70/29/51/1309702951.db2.gz MCQCLMZCFQPJID-CYBMUJFWSA-N 0 0 349.818 2.899 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)O ZINC000901332039 1310162310 /nfs/dbraw/zinc/16/23/10/1310162310.db2.gz ZXAQMBBPVVNBIG-RDTXWAMCSA-N 0 0 343.423 2.614 10 10 EFCERN CN(C[C@@H](O)c1cccnc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001158783460 1311386783 /nfs/dbraw/zinc/38/67/83/1311386783.db2.gz KFOCBJQVZOOFHT-CQSZACIVSA-N 0 0 344.392 2.513 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](OC(F)F)C1 ZINC000802187662 1311441033 /nfs/dbraw/zinc/44/10/33/1311441033.db2.gz OQZQSVHRCCJGJZ-HNNXBMFYSA-N 0 0 337.370 2.586 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C(N)=O)co1 ZINC000802300695 1311545233 /nfs/dbraw/zinc/54/52/33/1311545233.db2.gz UQEUFPOMKKNCIF-UHFFFAOYSA-N 0 0 345.399 2.596 10 10 EFCERN O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)c1cccc(O)c1O ZINC001159611150 1311551966 /nfs/dbraw/zinc/55/19/66/1311551966.db2.gz VARRCNZMTNMGMA-UHFFFAOYSA-N 0 0 338.245 2.640 10 10 EFCERN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000802312203 1311552576 /nfs/dbraw/zinc/55/25/76/1311552576.db2.gz FFHIYPBOCBCZJG-JKDFXYPNSA-N 0 0 341.398 2.889 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)NCc1ccccc1O)CCO2 ZINC001225704491 1311567166 /nfs/dbraw/zinc/56/71/66/1311567166.db2.gz JCRZWVASEPOSIM-OAHLLOKOSA-N 0 0 328.368 2.724 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001226648062 1311702255 /nfs/dbraw/zinc/70/22/55/1311702255.db2.gz YRQFKADOWFVTHD-ZIAGYGMSSA-N 0 0 337.464 2.900 10 10 EFCERN CCNC(=O)Nc1c(C)cccc1NC(=O)c1cccc(O)c1O ZINC001161052335 1311846837 /nfs/dbraw/zinc/84/68/37/1311846837.db2.gz JYPFZEFGJGZCOJ-UHFFFAOYSA-N 0 0 329.356 2.800 10 10 EFCERN CCCN(CCC)c1ccc(CN2CC(=O)N(CCOC)C2)cc1 ZINC000802658827 1311894752 /nfs/dbraw/zinc/89/47/52/1311894752.db2.gz JIVCTQQASIZVRL-UHFFFAOYSA-N 0 0 333.476 2.561 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccnc(F)c1 ZINC001162114144 1312050550 /nfs/dbraw/zinc/05/05/50/1312050550.db2.gz KNXLUBUQGSYPKI-AWEZNQCLSA-N 0 0 329.419 2.885 10 10 EFCERN Nc1c(Cl)c(Cl)ccc1C(=O)NCc1ccc(O)cc1O ZINC001162283603 1312080498 /nfs/dbraw/zinc/08/04/98/1312080498.db2.gz ACNGCENFDIVGLF-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)c2cccnc2)cc1 ZINC001162284494 1312080780 /nfs/dbraw/zinc/08/07/80/1312080780.db2.gz GNDJISIZCFQGHN-LJQANCHMSA-N 0 0 335.407 2.953 10 10 EFCERN O=C(Cc1c[nH]c2cnccc12)NCc1ccc2cccnc2c1O ZINC001162612488 1312136007 /nfs/dbraw/zinc/13/60/07/1312136007.db2.gz KOIZSUUNYQROQD-UHFFFAOYSA-N 0 0 332.363 2.676 10 10 EFCERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC001163100206 1312240774 /nfs/dbraw/zinc/24/07/74/1312240774.db2.gz WQPLXECIGQINDV-LLVKDONJSA-N 0 0 328.372 2.933 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@H](Nc3ncccn3)C2)c1O ZINC000903025830 1312291110 /nfs/dbraw/zinc/29/11/10/1312291110.db2.gz FNZPDPCKYGUION-AWEZNQCLSA-N 0 0 346.818 2.725 10 10 EFCERN COC(=O)c1cnc(Sc2ncc(Br)cn2)s1 ZINC001163377730 1312300294 /nfs/dbraw/zinc/30/02/94/1312300294.db2.gz LPGFAOBTQAVKGD-UHFFFAOYSA-N 0 0 332.204 2.633 10 10 EFCERN CCCn1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000903056537 1312315042 /nfs/dbraw/zinc/31/50/42/1312315042.db2.gz QFYIQKSXEQHYQL-OAHLLOKOSA-N 0 0 343.475 2.500 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178116 1312434119 /nfs/dbraw/zinc/43/41/19/1312434119.db2.gz CJARAKQVJMTCFS-PXWWUCIGSA-N 0 0 347.333 2.939 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC001164110855 1312449465 /nfs/dbraw/zinc/44/94/65/1312449465.db2.gz SBOBGPSOSDPUDW-HUUCEWRRSA-N 0 0 330.388 2.927 10 10 EFCERN Oc1cccc(F)c1CNc1cnc(I)nc1 ZINC001164185373 1312463849 /nfs/dbraw/zinc/46/38/49/1312463849.db2.gz DUZSUCNSCUBGTP-UHFFFAOYSA-N 0 0 345.115 2.538 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOC[C@@H]2CC2CC2)c([N+](=O)[O-])c1 ZINC001164201177 1312466424 /nfs/dbraw/zinc/46/64/24/1312466424.db2.gz VAYLTYMCCWVEII-PKYBCLHXSA-N 0 0 346.383 2.786 10 10 EFCERN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000903260648 1312516529 /nfs/dbraw/zinc/51/65/29/1312516529.db2.gz PXXJLWKULPYGBF-UEJVZZJDSA-N 0 0 345.212 2.598 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1cc(F)cc(F)c1[O-] ZINC000903271825 1312526536 /nfs/dbraw/zinc/52/65/36/1312526536.db2.gz OQXJWERQPABNLJ-NZVBXONLSA-N 0 0 328.428 2.901 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cc(F)cc(F)c1[O-] ZINC000903271823 1312526611 /nfs/dbraw/zinc/52/66/11/1312526611.db2.gz OQXJWERQPABNLJ-COLVAYQJSA-N 0 0 328.428 2.901 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001165507144 1312639817 /nfs/dbraw/zinc/63/98/17/1312639817.db2.gz ATHPUGUDEOLOOC-CYBMUJFWSA-N 0 0 348.761 2.612 10 10 EFCERN COc1ccc(CNC(=O)NCc2c(F)cc(F)cc2F)c(O)c1 ZINC001248552440 1314943404 /nfs/dbraw/zinc/94/34/04/1314943404.db2.gz PRVHEHTUVABPQC-UHFFFAOYSA-N 0 0 340.301 2.818 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H]2CCNC2=O)c1 ZINC001253248438 1315584598 /nfs/dbraw/zinc/58/45/98/1315584598.db2.gz OGPVRZXCKJCHKJ-OAHLLOKOSA-N 0 0 332.787 2.793 10 10 EFCERN O=C(NCc1cnccc1C(F)(F)F)NCc1c(O)cccc1F ZINC001253372672 1315597357 /nfs/dbraw/zinc/59/73/57/1315597357.db2.gz PSLNKOJBNOYAHZ-UHFFFAOYSA-N 0 0 343.280 2.945 10 10 EFCERN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151519 1315601821 /nfs/dbraw/zinc/60/18/21/1315601821.db2.gz DJXSTSORDPSWHL-HNNXBMFYSA-N 0 0 326.234 2.892 10 10 EFCERN CC[C@@H](CO)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001254075324 1315671122 /nfs/dbraw/zinc/67/11/22/1315671122.db2.gz YEBKWPZGYHOJIK-KRWDZBQOSA-N 0 0 329.444 2.973 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](O)C4(CC4)C3)c2C)cc1 ZINC001255295842 1315801432 /nfs/dbraw/zinc/80/14/32/1315801432.db2.gz HOEJLKFFEJUTEW-SFHVURJKSA-N 0 0 340.423 2.700 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nc(C(F)(F)F)no1 ZINC001256503418 1315949999 /nfs/dbraw/zinc/94/99/99/1315949999.db2.gz DYRMXJDWNMXJCK-JGVFFNPUSA-N 0 0 344.293 2.915 10 10 EFCERN C[C@@H](NS(=O)(=O)CCC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000827473290 1315987051 /nfs/dbraw/zinc/98/70/51/1315987051.db2.gz FMGFHURKMWTCKD-CABCVRRESA-N 0 0 340.489 2.550 10 10 EFCERN C[C@@H](NS(=O)(=O)CCC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000827473292 1315987376 /nfs/dbraw/zinc/98/73/76/1315987376.db2.gz FMGFHURKMWTCKD-HUUCEWRRSA-N 0 0 340.489 2.550 10 10 EFCERN C[C@H]1SCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000827650231 1316009608 /nfs/dbraw/zinc/00/96/08/1316009608.db2.gz PGXMOCVQIHYERJ-KCJUWKMLSA-N 0 0 345.262 2.848 10 10 EFCERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccccc1O ZINC001137471334 1316012926 /nfs/dbraw/zinc/01/29/26/1316012926.db2.gz HCALBBNCEWFYIU-UHFFFAOYSA-N 0 0 328.324 2.580 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(OC(F)(F)F)c1 ZINC001299572143 1316228447 /nfs/dbraw/zinc/22/84/47/1316228447.db2.gz BZVADCJCLSSBRC-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN COc1c(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955523 1316256421 /nfs/dbraw/zinc/25/64/21/1316256421.db2.gz JBYCFXVIHORKSO-PSLIRLAXSA-N 0 0 346.330 2.554 10 10 EFCERN Cc1noc(Cl)c1CC(=O)NCc1ccc2cccnc2c1O ZINC001299722091 1316378258 /nfs/dbraw/zinc/37/82/58/1316378258.db2.gz YOURHUIQJYLZFJ-UHFFFAOYSA-N 0 0 331.759 2.749 10 10 EFCERN CN(C)C(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299721961 1316378262 /nfs/dbraw/zinc/37/82/62/1316378262.db2.gz XHNQDYGUNWKGHF-UHFFFAOYSA-N 0 0 349.390 2.572 10 10 EFCERN O=C(Cc1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001261293326 1316402770 /nfs/dbraw/zinc/40/27/70/1316402770.db2.gz IKHWBEMSTHAKOY-UHFFFAOYSA-N 0 0 346.377 2.660 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC001261831544 1316432675 /nfs/dbraw/zinc/43/26/75/1316432675.db2.gz JAWZHJQLXIFGNJ-JOCQHMNTSA-N 0 0 345.830 2.741 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1-c1cnccn1 ZINC001261840174 1316433223 /nfs/dbraw/zinc/43/32/23/1316433223.db2.gz ZMXSXAVVXMYJFC-UHFFFAOYSA-N 0 0 349.438 2.880 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001263702914 1316556940 /nfs/dbraw/zinc/55/69/40/1316556940.db2.gz BUQORYYGFFLYNV-HKUYNNGSSA-N 0 0 343.471 2.997 10 10 EFCERN CCn1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001265741336 1316869718 /nfs/dbraw/zinc/86/97/18/1316869718.db2.gz NBEQDHCQDTYSEY-UHFFFAOYSA-N 0 0 346.394 2.794 10 10 EFCERN COc1ccccc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001290045519 1321869958 /nfs/dbraw/zinc/86/99/58/1321869958.db2.gz HFDMJEVXEBNSLV-UHFFFAOYSA-N 0 0 326.356 2.830 10 10 EFCERN CC[C@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001291369632 1321978877 /nfs/dbraw/zinc/97/88/77/1321978877.db2.gz JZRDWNPTECIBFJ-SFHVURJKSA-N 0 0 330.432 2.659 10 10 EFCERN Nc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001292065230 1322033823 /nfs/dbraw/zinc/03/38/23/1322033823.db2.gz FETHEBRHGGRZDG-UHFFFAOYSA-N 0 0 345.830 2.689 10 10 EFCERN C[C@@H](NC(=O)CCCn1cccc1)c1ccc(N2CCOCC2)cc1 ZINC001292235964 1322046238 /nfs/dbraw/zinc/04/62/38/1322046238.db2.gz OMBCRQQMQZCHEO-QGZVFWFLSA-N 0 0 341.455 2.982 10 10 EFCERN CCNC(=O)c1ccc(OC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001293462722 1322260005 /nfs/dbraw/zinc/26/00/05/1322260005.db2.gz HIMZNSXNKRBUII-UHFFFAOYSA-N 0 0 340.339 2.818 10 10 EFCERN CC(C)n1c(CNC(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 ZINC001293907451 1322378068 /nfs/dbraw/zinc/37/80/68/1322378068.db2.gz ITFOKHDTGPLWEO-UHFFFAOYSA-N 0 0 339.395 2.887 10 10 EFCERN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(N)c1F ZINC001293956319 1322385922 /nfs/dbraw/zinc/38/59/22/1322385922.db2.gz SKSOVWNNDVNCFW-UHFFFAOYSA-N 0 0 345.374 2.522 10 10 EFCERN CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001293974786 1322388634 /nfs/dbraw/zinc/38/86/34/1322388634.db2.gz KIRDHACZPUZQDQ-MRXNPFEDSA-N 0 0 335.787 2.798 10 10 EFCERN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294542389 1322509196 /nfs/dbraw/zinc/50/91/96/1322509196.db2.gz MZXHDDSHZNSMJE-GXFFZTMASA-N 0 0 330.344 2.684 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294551642 1322511520 /nfs/dbraw/zinc/51/15/20/1322511520.db2.gz DVHAJZSVWKSCER-ZDUSSCGKSA-N 0 0 346.387 2.795 10 10 EFCERN CC(=O)N/C(=C/c1cccs1)C(=O)N(C)Cc1ccccc1O ZINC001294673358 1322541704 /nfs/dbraw/zinc/54/17/04/1322541704.db2.gz FJFAVBFHPRCISK-XNTDXEJSSA-N 0 0 330.409 2.589 10 10 EFCERN COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ncn1 ZINC001294671321 1322541792 /nfs/dbraw/zinc/54/17/92/1322541792.db2.gz HXAMLOACSMMFGW-UHFFFAOYSA-N 0 0 339.351 2.626 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1OC ZINC001294685696 1322542407 /nfs/dbraw/zinc/54/24/07/1322542407.db2.gz RXHSNGYGAHFFJU-DGCLKSJQSA-N 0 0 328.206 2.538 10 10 EFCERN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)c1ccccc1F ZINC001294808641 1322567537 /nfs/dbraw/zinc/56/75/37/1322567537.db2.gz XVEXBNAFGYPRBR-GOEBONIOSA-N 0 0 333.359 2.787 10 10 EFCERN Cc1ccc2c(c1)C=C(C(=O)NCCc1ccc(O)c(O)c1)CO2 ZINC001294913144 1322596972 /nfs/dbraw/zinc/59/69/72/1322596972.db2.gz MMOVXVVOHLVTQH-UHFFFAOYSA-N 0 0 325.364 2.541 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)c2cccnc12 ZINC001294913636 1322597145 /nfs/dbraw/zinc/59/71/45/1322597145.db2.gz QOFZADSKGVEQLK-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)c1O ZINC001294938256 1322603347 /nfs/dbraw/zinc/60/33/47/1322603347.db2.gz YYLSSTCOWBSCLU-UHFFFAOYSA-N 0 0 348.380 2.961 10 10 EFCERN Cc1cc(CC(=O)N2CCSC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001295207557 1322652757 /nfs/dbraw/zinc/65/27/57/1322652757.db2.gz SFSZRDJWXZNRPF-GOSISDBHSA-N 0 0 344.480 2.573 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)C[C@H]3C)CC2)cc1 ZINC001295272759 1322669479 /nfs/dbraw/zinc/66/94/79/1322669479.db2.gz PJBXEISCNVWGMH-BEFAXECRSA-N 0 0 344.455 2.739 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3ccc(O)cc3F)CC2)cc1 ZINC001295275381 1322669736 /nfs/dbraw/zinc/66/97/36/1322669736.db2.gz QRHSBPVAAZFXPV-UHFFFAOYSA-N 0 0 344.386 2.892 10 10 EFCERN Cc1ccc(C)c(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001295377825 1322690016 /nfs/dbraw/zinc/69/00/16/1322690016.db2.gz BRIXYQCDQDHMOJ-UHFFFAOYSA-N 0 0 340.423 2.606 10 10 EFCERN CCc1ccc([C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001296376512 1322898763 /nfs/dbraw/zinc/89/87/63/1322898763.db2.gz JJTDGKIEIUOZDK-IBGZPJMESA-N 0 0 341.407 2.803 10 10 EFCERN CCOC(=O)[C@H](CC)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001296520228 1322936117 /nfs/dbraw/zinc/93/61/17/1322936117.db2.gz MELAEOMUZYUPQZ-AWEZNQCLSA-N 0 0 346.387 2.795 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CCC1CC1 ZINC001297060346 1323079945 /nfs/dbraw/zinc/07/99/45/1323079945.db2.gz AALDETFPYWQYAP-UHFFFAOYSA-N 0 0 330.432 2.957 10 10 EFCERN Cc1cc(C(=O)NCCn2cnnc2)c(C)n1-c1cccc(Cl)c1 ZINC001298105193 1323429450 /nfs/dbraw/zinc/42/94/50/1323429450.db2.gz XNKZVXGNXOUAAZ-UHFFFAOYSA-N 0 0 343.818 2.769 10 10 EFCERN C[C@@H](CNC(=O)CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298806567 1323612693 /nfs/dbraw/zinc/61/26/93/1323612693.db2.gz GMVRMOYMXDZSEN-NSHDSACASA-N 0 0 347.419 2.520 10 10 EFCERN Cc1cc(CNC(=O)c2csc(CO)n2)c(C)n1-c1ccccc1 ZINC001302267014 1324569595 /nfs/dbraw/zinc/56/95/95/1324569595.db2.gz ILDWYRDUYJUFIG-UHFFFAOYSA-N 0 0 341.436 2.973 10 10 EFCERN C[C@H](NC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccccc1O ZINC001302538245 1324579527 /nfs/dbraw/zinc/57/95/27/1324579527.db2.gz KVIYIUQUWZMTEA-JTQLQIEISA-N 0 0 328.393 2.927 10 10 EFCERN C[C@@H](NC(=O)CCc1nc2ccccc2oc1=O)c1ccccc1O ZINC001302530391 1324579845 /nfs/dbraw/zinc/57/98/45/1324579845.db2.gz NUOMSPPXYPBSAX-GFCCVEGCSA-N 0 0 338.363 2.704 10 10 EFCERN Cc1cc(C(=O)Nc2ccn(CCF)n2)c(C)n1-c1ccccn1 ZINC001302670422 1324583705 /nfs/dbraw/zinc/58/37/05/1324583705.db2.gz WGXLEPLPRHVRPS-UHFFFAOYSA-N 0 0 327.363 2.907 10 10 EFCERN COCCn1cc(C(=O)NCc2cc(O)ccc2O)c2ccccc21 ZINC001303223483 1324597884 /nfs/dbraw/zinc/59/78/84/1324597884.db2.gz RDXJXIHHOBHXJZ-UHFFFAOYSA-N 0 0 340.379 2.629 10 10 EFCERN O=C(COc1ccc(F)cc1Cl)NCc1cc(O)ccc1O ZINC001303223413 1324597924 /nfs/dbraw/zinc/59/79/24/1324597924.db2.gz OKYZHHGXGDOTIP-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001303223175 1324598181 /nfs/dbraw/zinc/59/81/81/1324598181.db2.gz DFNVKSPDKMAFHR-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN COc1ccccc1C1(C(=O)NCc2cc(O)ccc2O)CCC1 ZINC001303223149 1324598634 /nfs/dbraw/zinc/59/86/34/1324598634.db2.gz CCTQVAUOQNJAJD-UHFFFAOYSA-N 0 0 327.380 2.845 10 10 EFCERN COc1ccc(C(=O)C[C@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001303225914 1324598883 /nfs/dbraw/zinc/59/88/83/1324598883.db2.gz RVDGTTNCZDFASM-LBPRGKRZSA-N 0 0 343.379 2.632 10 10 EFCERN CCOc1cc(/C=C/C(=O)NCc2cc(O)ccc2O)ccc1O ZINC001303225414 1324599020 /nfs/dbraw/zinc/59/90/20/1324599020.db2.gz HRZYZVQFFZWPTF-XBXARRHUSA-N 0 0 329.352 2.532 10 10 EFCERN O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1cccc(O)c1O ZINC001303994892 1324629991 /nfs/dbraw/zinc/62/99/91/1324629991.db2.gz HJQNAVSIUICZLO-LBPRGKRZSA-N 0 0 341.285 2.580 10 10 EFCERN CO[C@H](C(=O)NCc1c(O)ccc2ccccc21)C(=O)OC(C)(C)C ZINC001304090676 1324637459 /nfs/dbraw/zinc/63/74/59/1324637459.db2.gz NJKIHNYFXXZXGD-MRXNPFEDSA-N 0 0 345.395 2.518 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc([C@H](C)CC(N)=O)cc2)c(O)c1O ZINC001304179887 1324643777 /nfs/dbraw/zinc/64/37/77/1324643777.db2.gz REJGCDUQHULTML-LLVKDONJSA-N 0 0 328.368 2.637 10 10 EFCERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC001305069288 1324671440 /nfs/dbraw/zinc/67/14/40/1324671440.db2.gz BMALPFYTZQEFJY-HWPZZCPQSA-N 0 0 333.771 2.890 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC001320595611 1329173136 /nfs/dbraw/zinc/17/31/36/1329173136.db2.gz HWMCZQITRAKMQP-QGZVFWFLSA-N 0 0 328.387 2.830 10 10 EFCERN CCC[C@@](C)(O)Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001306537589 1324713306 /nfs/dbraw/zinc/71/33/06/1324713306.db2.gz JPFPLOHNOLOMKO-GOSISDBHSA-N 0 0 332.448 2.734 10 10 EFCERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(-n2ccnc2)cc1 ZINC001306755028 1324719519 /nfs/dbraw/zinc/71/95/19/1324719519.db2.gz QONPNMUKGYQJBA-NSHDSACASA-N 0 0 341.342 2.914 10 10 EFCERN O=C(NCc1ccsc1Br)c1c(F)ccc(O)c1O ZINC001306830962 1324723842 /nfs/dbraw/zinc/72/38/42/1324723842.db2.gz NSTIUOVAFZYBFE-UHFFFAOYSA-N 0 0 346.177 2.991 10 10 EFCERN CO[C@H](C)c1nsc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001306841245 1324724293 /nfs/dbraw/zinc/72/42/93/1324724293.db2.gz SGWWVEKDGRZQDR-SSDOTTSWSA-N 0 0 334.361 2.660 10 10 EFCERN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC001307170490 1324746808 /nfs/dbraw/zinc/74/68/08/1324746808.db2.gz VWSWOZCGHUBDRH-UHFFFAOYSA-N 0 0 336.369 2.624 10 10 EFCERN Oc1cccc(O)c1CNc1ncnc2c1cnn2-c1ccccc1 ZINC001307218451 1324752073 /nfs/dbraw/zinc/75/20/73/1324752073.db2.gz IPAFZUYELGGXQV-UHFFFAOYSA-N 0 0 333.351 2.839 10 10 EFCERN COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)nc2)s1 ZINC001307348662 1324761236 /nfs/dbraw/zinc/76/12/36/1324761236.db2.gz ZICURHJLSDBSDM-UHFFFAOYSA-N 0 0 343.817 2.709 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000753023184 1324772948 /nfs/dbraw/zinc/77/29/48/1324772948.db2.gz PDUYJTUNBUNWNA-VFFGBVLKSA-N 0 0 334.372 2.785 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccno3)CC2)c1O ZINC001308034819 1324789857 /nfs/dbraw/zinc/78/98/57/1324789857.db2.gz MWFVUEYIRWCGNG-UHFFFAOYSA-N 0 0 349.818 2.554 10 10 EFCERN C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903293754 1324829356 /nfs/dbraw/zinc/82/93/56/1324829356.db2.gz WKACXDASVKVNHJ-DZGCQCFKSA-N 0 0 330.384 2.945 10 10 EFCERN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000903692320 1324847680 /nfs/dbraw/zinc/84/76/80/1324847680.db2.gz JKVKVRXFIQLMLL-UHFFFAOYSA-N 0 0 346.452 2.697 10 10 EFCERN Cc1nc(C)c(/C=C2/OCCn3c(C=O)c(Br)nc32)o1 ZINC000905086812 1324906789 /nfs/dbraw/zinc/90/67/89/1324906789.db2.gz ZLEIKLPDRQETDG-VZUCSPMQSA-N 0 0 338.161 2.591 10 10 EFCERN C[C@H](NC(=O)NC[Si](C)(C)c1ccccc1)c1ccccc1O ZINC001312677812 1324991007 /nfs/dbraw/zinc/99/10/07/1324991007.db2.gz GOBZPNZHZQXOFW-AWEZNQCLSA-N 0 0 328.488 2.907 10 10 EFCERN C[C@@H](NC(=O)NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC001312768764 1324994872 /nfs/dbraw/zinc/99/48/72/1324994872.db2.gz MQEMNBQVNOXTRI-CYBMUJFWSA-N 0 0 337.383 2.533 10 10 EFCERN COc1ccnc(CNC(=O)NCc2cc(Cl)ccc2O)c1F ZINC001313033180 1325005021 /nfs/dbraw/zinc/00/50/21/1325005021.db2.gz MGBZORKHHYNHKP-UHFFFAOYSA-N 0 0 339.754 2.588 10 10 EFCERN Cc1cc(CNC(=O)NCC2(O)CCC2)c(C)n1-c1ccccc1 ZINC001313131994 1325006883 /nfs/dbraw/zinc/00/68/83/1325006883.db2.gz KGXHNWYLZMQWLK-UHFFFAOYSA-N 0 0 327.428 2.808 10 10 EFCERN Cc1nc2c(cccc2CCNC(=O)NCc2ccccc2O)o1 ZINC001313248948 1325009526 /nfs/dbraw/zinc/00/95/26/1325009526.db2.gz BFTAWRWYFVRONS-UHFFFAOYSA-N 0 0 325.368 2.884 10 10 EFCERN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1nc(C(F)(F)F)no1 ZINC001313429657 1325015084 /nfs/dbraw/zinc/01/50/84/1325015084.db2.gz DYRMXJDWNMXJCK-HTQZYQBOSA-N 0 0 344.293 2.915 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1CF ZINC001314306186 1325032563 /nfs/dbraw/zinc/03/25/63/1325032563.db2.gz DFXJPIJEFWVJFI-UONOGXRCSA-N 0 0 334.395 2.687 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC(C)(C)O ZINC001314751077 1325043018 /nfs/dbraw/zinc/04/30/18/1325043018.db2.gz PCPCJFVTYZUDHK-UHFFFAOYSA-N 0 0 332.448 2.689 10 10 EFCERN COCCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001316056339 1325073649 /nfs/dbraw/zinc/07/36/49/1325073649.db2.gz XQXXLRCEWWEFSP-UHFFFAOYSA-N 0 0 345.491 2.907 10 10 EFCERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001321884594 1329414764 /nfs/dbraw/zinc/41/47/64/1329414764.db2.gz NHOXLHUPBITPAF-GDBMZVCRSA-N 0 0 344.455 2.826 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3ccn(C)c3C)CC2)cc1 ZINC001322584588 1329469784 /nfs/dbraw/zinc/46/97/84/1329469784.db2.gz BYDVYWXKUJTECW-UHFFFAOYSA-N 0 0 327.428 2.695 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4CCCC[C@@H]4C3)cc2N1 ZINC001323921676 1329584970 /nfs/dbraw/zinc/58/49/70/1329584970.db2.gz YRQVDJFAPHOJCL-NWDGAFQWSA-N 0 0 331.372 2.942 10 10 EFCERN CC/C=C/CCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324029004 1329592184 /nfs/dbraw/zinc/59/21/84/1329592184.db2.gz FWHYSQAMUCGQEH-WZPULVRGSA-N 0 0 343.431 2.962 10 10 EFCERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC001324471290 1329631084 /nfs/dbraw/zinc/63/10/84/1329631084.db2.gz KNHAISQCSBNFBQ-KBXCAEBGSA-N 0 0 331.343 2.706 10 10 EFCERN Cc1cc(C(=O)NCC2(CF)CCOCC2)c(C)n1-c1ccccn1 ZINC001324582297 1329641728 /nfs/dbraw/zinc/64/17/28/1329641728.db2.gz MRLJPGSOFKKECL-UHFFFAOYSA-N 0 0 345.418 2.985 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[C@H](F)C1 ZINC001325918724 1329724175 /nfs/dbraw/zinc/72/41/75/1329724175.db2.gz RZHHWGIANBUHCL-CABCVRRESA-N 0 0 338.398 2.807 10 10 EFCERN O=C(COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(O)c(O)c1 ZINC001327240787 1330445687 /nfs/dbraw/zinc/44/56/87/1330445687.db2.gz RGXRAIGRJBXVNB-OUAUKWLOSA-N 0 0 326.295 2.505 10 10 EFCERN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310780 1330457564 /nfs/dbraw/zinc/45/75/64/1330457564.db2.gz HCNQQKPXKUAAKA-MRXNPFEDSA-N 0 0 347.478 2.721 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCO[C@](C)(C4CC4)C3)ccc21 ZINC001327663816 1330505768 /nfs/dbraw/zinc/50/57/68/1330505768.db2.gz WOOSVOTWUPBMND-FQEVSTJZSA-N 0 0 343.471 2.780 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001328009359 1330541040 /nfs/dbraw/zinc/54/10/40/1330541040.db2.gz HTUNWXKPZJDVDD-UKRRQHHQSA-N 0 0 337.391 2.812 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001328252615 1330574759 /nfs/dbraw/zinc/57/47/59/1330574759.db2.gz HQRAFZMXXVKRFH-MXWKQRLJSA-N 0 0 328.315 2.832 10 10 EFCERN COc1cc(N(C)Cc2cc(CO)ccc2F)cc(OC)c1OC ZINC001328748061 1330625139 /nfs/dbraw/zinc/62/51/39/1330625139.db2.gz HNNQLACFVXYWQY-UHFFFAOYSA-N 0 0 335.375 2.980 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC001329721212 1330730498 /nfs/dbraw/zinc/73/04/98/1330730498.db2.gz BZZVSJQVWCCLHT-WMZOPIPTSA-N 0 0 331.460 2.900 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CCF)C2)cc1 ZINC001329723170 1330730935 /nfs/dbraw/zinc/73/09/35/1330730935.db2.gz ROESQFCEOMDDEI-QGZVFWFLSA-N 0 0 337.439 2.803 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCCC1(C)C ZINC001331372021 1330829032 /nfs/dbraw/zinc/82/90/32/1330829032.db2.gz VYQOKWQHBFTMHP-OAHLLOKOSA-N 0 0 332.444 2.683 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001331504750 1330845218 /nfs/dbraw/zinc/84/52/18/1330845218.db2.gz RAXTVRHUVAHJNN-KURKYZTESA-N 0 0 343.471 2.759 10 10 EFCERN COC(=O)CN(CC(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331596161 1330857867 /nfs/dbraw/zinc/85/78/67/1330857867.db2.gz VSCOYDITNBYYJY-UHFFFAOYSA-N 0 0 337.397 2.584 10 10 EFCERN CCOC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC001331923012 1330891609 /nfs/dbraw/zinc/89/16/09/1330891609.db2.gz TXPQZYWFBAILLK-UHFFFAOYSA-N 0 0 349.408 2.918 10 10 EFCERN O=C([O-])[C@@H]1CC=C[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001331994928 1330902145 /nfs/dbraw/zinc/90/21/45/1330902145.db2.gz KJSAPQOQECIWID-NXEZZACHSA-N 0 0 326.190 2.664 10 10 EFCERN C[C@H](NC(=O)C(=O)NC[C@]12C[C@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC001333427628 1331141018 /nfs/dbraw/zinc/14/10/18/1331141018.db2.gz DGMXLYPZXWSPBU-NBQZKYEYSA-N 0 0 343.471 2.626 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001334088889 1331247475 /nfs/dbraw/zinc/24/74/75/1331247475.db2.gz NIYZMZJIERARFF-BOGVYCFDSA-N 0 0 344.455 2.768 10 10 EFCERN CO[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@](C)(CO)C1 ZINC001335782990 1331401803 /nfs/dbraw/zinc/40/18/03/1331401803.db2.gz IKOFXMYWTKGOID-AZUAARDMSA-N 0 0 342.439 2.706 10 10 EFCERN COC(=O)/C=C/c1ccc(N2C[C@@H](C)OCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001336818655 1331505136 /nfs/dbraw/zinc/50/51/36/1331505136.db2.gz SGKSAVAEIXZCTJ-MVTQWGDUSA-N 0 0 334.372 2.785 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1 ZINC001337611733 1331587368 /nfs/dbraw/zinc/58/73/68/1331587368.db2.gz OBERKMAOCVPLGJ-AYOQOUSVSA-N 0 0 337.423 2.589 10 10 EFCERN C[C@@]12COC[C@@H]1CN(c1nnc(C3SC=CC3=O)n1CC1CC1)C2 ZINC001345200857 1332519792 /nfs/dbraw/zinc/51/97/92/1332519792.db2.gz FUGRVSOVNIXUBF-YVEFUNNKSA-N 0 0 346.456 2.595 10 10 EFCERN C[C@]12COC[C@@H]1CN(c1nnc(C3SC=CC3=O)n1CC1CC1)C2 ZINC001345200846 1332520074 /nfs/dbraw/zinc/52/00/74/1332520074.db2.gz FUGRVSOVNIXUBF-SJCJKPOMSA-N 0 0 346.456 2.595 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1F ZINC001346266797 1332620536 /nfs/dbraw/zinc/62/05/36/1332620536.db2.gz KYQMGEGMFGJNPA-GOEBONIOSA-N 0 0 335.423 2.602 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ncccc1NCC1CCC1 ZINC001346451357 1332642685 /nfs/dbraw/zinc/64/26/85/1332642685.db2.gz PYHGVQHJMHJIJS-UHFFFAOYSA-N 0 0 327.384 2.635 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001346689832 1332674126 /nfs/dbraw/zinc/67/41/26/1332674126.db2.gz YNRDTOXQNJPFEW-FRRDWIJNSA-N 0 0 336.338 2.590 10 10 EFCERN COc1cc(CCNC(=O)NCc2c(O)cccc2F)cc(OC)c1 ZINC001347148768 1332720589 /nfs/dbraw/zinc/72/05/89/1332720589.db2.gz PYJVKFKMQNLXQZ-UHFFFAOYSA-N 0 0 348.374 2.590 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001347205997 1332724135 /nfs/dbraw/zinc/72/41/35/1332724135.db2.gz RVNPZAZWUYWIGL-WBVHZDCISA-N 0 0 339.819 2.780 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc(O)cc2C)cc1 ZINC001347206522 1332724263 /nfs/dbraw/zinc/72/42/63/1332724263.db2.gz YCNLANLOGAOEHX-UHFFFAOYSA-N 0 0 342.439 2.847 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001347205996 1332724301 /nfs/dbraw/zinc/72/43/01/1332724301.db2.gz RVNPZAZWUYWIGL-RDJZCZTQSA-N 0 0 339.819 2.780 10 10 EFCERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cccc(O)c2O)c1 ZINC001347234392 1332726422 /nfs/dbraw/zinc/72/64/22/1332726422.db2.gz NTMRZGNBSGXBGP-HIFRSBDPSA-N 0 0 343.379 2.535 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC001347332047 1332735308 /nfs/dbraw/zinc/73/53/08/1332735308.db2.gz ANSJKGYWQDPMJB-UHFFFAOYSA-N 0 0 344.377 2.852 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c(O)c1O ZINC001347867737 1332779382 /nfs/dbraw/zinc/77/93/82/1332779382.db2.gz ILTXGRGOXDHRFQ-HOTGVXAUSA-N 0 0 329.396 2.894 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)c(O)c1O ZINC001347867743 1332779623 /nfs/dbraw/zinc/77/96/23/1332779623.db2.gz ILTXGRGOXDHRFQ-JKSUJKDBSA-N 0 0 329.396 2.894 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3c(Cl)ccnc3F)CC2)cc1 ZINC001348068633 1332797345 /nfs/dbraw/zinc/79/73/45/1332797345.db2.gz NHCJLHFPCWMLBX-UHFFFAOYSA-N 0 0 349.793 2.845 10 10 EFCERN C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001348156532 1332805574 /nfs/dbraw/zinc/80/55/74/1332805574.db2.gz GZZKFEIUBBXVGM-NHZBNJEXSA-N 0 0 330.428 2.555 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC001348175522 1332808316 /nfs/dbraw/zinc/80/83/16/1332808316.db2.gz SDQVMQKLRXFYOH-FQEVSTJZSA-N 0 0 342.439 2.700 10 10 EFCERN COc1nscc1CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001348424080 1332834423 /nfs/dbraw/zinc/83/44/23/1332834423.db2.gz JJPNNKRJSRLGOV-UHFFFAOYSA-N 0 0 334.445 2.559 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC001348563530 1332849299 /nfs/dbraw/zinc/84/92/99/1332849299.db2.gz RTYDSCSBYVYGHH-RVKKMQEKSA-N 0 0 332.444 2.547 10 10 EFCERN O=C(C(=O)N1Cc2cccc(O)c2C1)N(CC1CCCCC1)C1CC1 ZINC001348585101 1332850702 /nfs/dbraw/zinc/85/07/02/1332850702.db2.gz KRKNQWDFPQVUQV-UHFFFAOYSA-N 0 0 342.439 2.806 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3CC[C@]34CCOC4)cc2)CC1 ZINC001348667400 1332857873 /nfs/dbraw/zinc/85/78/73/1332857873.db2.gz WBKVQAKJGUEJNA-HXUWFJFHSA-N 0 0 343.471 2.997 10 10 EFCERN Cc1ccccc1C1=NO[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001348908404 1332882781 /nfs/dbraw/zinc/88/27/81/1332882781.db2.gz BIKDZIFAPBNRFV-IBGZPJMESA-N 0 0 337.423 2.870 10 10 EFCERN C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CC2CCC1CC2 ZINC001349759958 1332994212 /nfs/dbraw/zinc/99/42/12/1332994212.db2.gz HRAKAJZEQXKTIN-PBMMVSLJSA-N 0 0 344.455 2.682 10 10 EFCERN C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CC2CCC1CC2 ZINC001349759957 1332994636 /nfs/dbraw/zinc/99/46/36/1332994636.db2.gz HRAKAJZEQXKTIN-GIOUXUJVSA-N 0 0 344.455 2.682 10 10 EFCERN O=C(NCc1cccc(O)c1O)C1CC(OCc2ccccc2)C1 ZINC001350300689 1333061199 /nfs/dbraw/zinc/06/11/99/1333061199.db2.gz WSCOBFUYNDISDM-UHFFFAOYSA-N 0 0 327.380 2.709 10 10 EFCERN Cc1ccnn1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001350628835 1333104901 /nfs/dbraw/zinc/10/49/01/1333104901.db2.gz ODVPSEHCLKPTSF-UHFFFAOYSA-N 0 0 345.358 2.606 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCn1ccnc1 ZINC001351164655 1333188840 /nfs/dbraw/zinc/18/88/40/1333188840.db2.gz XIYZEMXAUQGPLZ-UHFFFAOYSA-N 0 0 326.444 2.922 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCc1ccccn1 ZINC001351177512 1333189776 /nfs/dbraw/zinc/18/97/76/1333189776.db2.gz NONFDBBCSCLKMQ-UHFFFAOYSA-N 0 0 339.439 2.857 10 10 EFCERN Cc1cc(CC(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccccc1 ZINC001351199206 1333194075 /nfs/dbraw/zinc/19/40/75/1333194075.db2.gz DWJZDBHNRNZBLG-UHFFFAOYSA-N 0 0 335.407 2.974 10 10 EFCERN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c2nccn2c1 ZINC001351361910 1333218016 /nfs/dbraw/zinc/21/80/16/1333218016.db2.gz TYJNVQXUDHPRCI-UHFFFAOYSA-N 0 0 334.423 2.955 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001351674798 1333266748 /nfs/dbraw/zinc/26/67/48/1333266748.db2.gz ZFZOSVQHSADMNE-CGTJXYLNSA-N 0 0 326.440 2.860 10 10 EFCERN COc1cc(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)on1 ZINC001351672139 1333267245 /nfs/dbraw/zinc/26/72/45/1333267245.db2.gz CSKRTHRJGFDYOU-UHFFFAOYSA-N 0 0 343.427 2.875 10 10 EFCERN COc1cnc(F)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000847076514 1333312536 /nfs/dbraw/zinc/31/25/36/1333312536.db2.gz AAYQPYKWXLSIDR-CYBMUJFWSA-N 0 0 345.418 2.965 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000847249322 1333443379 /nfs/dbraw/zinc/44/33/79/1333443379.db2.gz FWSSFUQXGJSRKC-AAEUAGOBSA-N 0 0 332.322 2.691 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000847317024 1333536344 /nfs/dbraw/zinc/53/63/44/1333536344.db2.gz OGZYTHSJPMGFKN-IRXDYDNUSA-N 0 0 334.416 2.548 10 10 EFCERN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001352584956 1333614143 /nfs/dbraw/zinc/61/41/43/1333614143.db2.gz MRGHNCIGKUQCKX-HOCLYGCPSA-N 0 0 332.444 2.997 10 10 EFCERN C/C(=C\c1ccncc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847381136 1333632640 /nfs/dbraw/zinc/63/26/40/1333632640.db2.gz DOTVCVLYMKHRLV-JQIJEIRASA-N 0 0 337.423 2.638 10 10 EFCERN C/C(=C/c1ccccn1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847382250 1333633896 /nfs/dbraw/zinc/63/38/96/1333633896.db2.gz ZFZHDURUSXGLDA-PEZBUJJGSA-N 0 0 337.423 2.638 10 10 EFCERN COCC1(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000847386010 1333641556 /nfs/dbraw/zinc/64/15/56/1333641556.db2.gz PHTYQITXDLFJLZ-HNNXBMFYSA-N 0 0 333.476 2.718 10 10 EFCERN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2cccc(O)c2O)c(C)n1 ZINC001352669195 1333661699 /nfs/dbraw/zinc/66/16/99/1333661699.db2.gz HTNFKADSMZKSKU-LLVKDONJSA-N 0 0 343.427 2.877 10 10 EFCERN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001352984667 1333846537 /nfs/dbraw/zinc/84/65/37/1333846537.db2.gz DARFNJGQFAIIHB-HNNXBMFYSA-N 0 0 336.407 2.575 10 10 EFCERN COc1cnc(F)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000847590561 1333962795 /nfs/dbraw/zinc/96/27/95/1333962795.db2.gz AQRFRBWIRFHKNG-UHFFFAOYSA-N 0 0 330.359 2.744 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)o2)c(O)c1 ZINC000848023329 1334169584 /nfs/dbraw/zinc/16/95/84/1334169584.db2.gz NOQFWKACAZOXGG-UHFFFAOYSA-N 0 0 345.273 2.865 10 10 EFCERN COc1ccc(CNC(=O)CCCCC(=O)OC(C)(C)C)c(O)c1 ZINC000848024038 1334171293 /nfs/dbraw/zinc/17/12/93/1334171293.db2.gz UVFVDBYEDVWXFS-UHFFFAOYSA-N 0 0 337.416 2.919 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCCCC2)cc1)c1c[nH]cn1 ZINC000848226429 1334479590 /nfs/dbraw/zinc/47/95/90/1334479590.db2.gz QFDBKRCFCPJFPK-UHFFFAOYSA-N 0 0 326.444 2.994 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848347406 1334680794 /nfs/dbraw/zinc/68/07/94/1334680794.db2.gz QELAAYJXJRSYRU-ICCMNZRJSA-N 0 0 345.317 2.727 10 10 EFCERN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561845 1334795963 /nfs/dbraw/zinc/79/59/63/1334795963.db2.gz CURCLHZHCVMJCC-UTUOFQBUSA-N 0 0 330.831 2.772 10 10 EFCERN Oc1cc2c(cc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F)OCO2 ZINC000848573534 1334802246 /nfs/dbraw/zinc/80/22/46/1334802246.db2.gz IERASBTZJKCJRZ-HZMBPMFUSA-N 0 0 333.306 2.711 10 10 EFCERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1ccccc1O ZINC000848576341 1334803655 /nfs/dbraw/zinc/80/36/55/1334803655.db2.gz NLMPTGQPNIUNJW-INIZCTEOSA-N 0 0 328.412 2.830 10 10 EFCERN COc1c(C)ncnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000848647104 1334824495 /nfs/dbraw/zinc/82/44/95/1334824495.db2.gz DFSAZTJDWLDLHQ-UHFFFAOYSA-N 0 0 346.406 2.506 10 10 EFCERN COc1cc(N(C)Cc2cnc(Cl)n2C)cc(OC)c1OC ZINC000848901408 1334972669 /nfs/dbraw/zinc/97/26/69/1334972669.db2.gz RSWLCAPPGLRXGW-UHFFFAOYSA-N 0 0 325.796 2.736 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000848922232 1334989041 /nfs/dbraw/zinc/98/90/41/1334989041.db2.gz NSGGKQCOCUZSLF-LSDHHAIUSA-N 0 0 336.388 2.746 10 10 EFCERN c1nnn2c1CN(Cc1ccc3c(c1)CCN3Cc1ccccc1)CC2 ZINC000848922210 1334989148 /nfs/dbraw/zinc/98/91/48/1334989148.db2.gz MNSMMGGYYXPPNX-UHFFFAOYSA-N 0 0 345.450 2.857 10 10 EFCERN COc1cc(O)c(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1OC ZINC000848927597 1334991987 /nfs/dbraw/zinc/99/19/87/1334991987.db2.gz IQOYNIQCCUGNMP-ABAIWWIYSA-N 0 0 349.349 2.999 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC001357192915 1335290107 /nfs/dbraw/zinc/29/01/07/1335290107.db2.gz OYQWSDNLAWFOQA-UHFFFAOYSA-N 0 0 335.310 2.869 10 10 EFCERN O=C(COC(F)(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001357323135 1335300736 /nfs/dbraw/zinc/30/07/36/1335300736.db2.gz IIKIGDGOXCGMME-UHFFFAOYSA-N 0 0 349.264 2.937 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C2CC2)c(C)cc1=O ZINC000935945525 1335464238 /nfs/dbraw/zinc/46/42/38/1335464238.db2.gz AWDWNKQWLCEKAU-UHFFFAOYSA-N 0 0 347.411 2.613 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cc(F)cc(F)c1 ZINC000935945668 1335464741 /nfs/dbraw/zinc/46/47/41/1335464741.db2.gz GGKFUMRMXTYCCN-UHFFFAOYSA-N 0 0 342.338 2.851 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccs3)C2)cc1 ZINC000849224665 1335571664 /nfs/dbraw/zinc/57/16/64/1335571664.db2.gz IHEAFFRXQROWOD-CYBMUJFWSA-N 0 0 331.441 2.835 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=S)NC(C3CC3)C3CC3)C2)cc1 ZINC000849270834 1335584837 /nfs/dbraw/zinc/58/48/37/1335584837.db2.gz QQNNYSTYJJLRTA-HNNXBMFYSA-N 0 0 345.512 2.927 10 10 EFCERN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C)COC1 ZINC001359781023 1335925918 /nfs/dbraw/zinc/92/59/18/1335925918.db2.gz QWJPEBGIGNMWIS-UHFFFAOYSA-N 0 0 344.459 2.855 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(C)cc2F)c1 ZINC001436739818 1387287273 /nfs/dbraw/zinc/28/72/73/1387287273.db2.gz JSAXWXHUBLOJDL-FNORWQNLSA-N 0 0 327.359 2.565 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC001440519426 1389721705 /nfs/dbraw/zinc/72/17/05/1389721705.db2.gz LPSJUDOENKAJFH-UHFFFAOYSA-N 0 0 326.312 2.508 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCCN(C)C1=O ZINC001440712092 1389832735 /nfs/dbraw/zinc/83/27/35/1389832735.db2.gz JWFVEMQAUZOVSR-SFHVURJKSA-N 0 0 343.471 2.504 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1nnc[nH]1 ZINC001446808508 1391609347 /nfs/dbraw/zinc/60/93/47/1391609347.db2.gz XOVRKWACWCMTJW-AWEZNQCLSA-N 0 0 336.395 2.843 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCSC ZINC001446812882 1391610567 /nfs/dbraw/zinc/61/05/67/1391610567.db2.gz CELZKDLKEOVZHZ-UHFFFAOYSA-N 0 0 345.848 2.690 10 10 EFCERN Cc1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)c(O)c1O ZINC001449688891 1392299888 /nfs/dbraw/zinc/29/98/88/1392299888.db2.gz IWLVBQYNUJQBFK-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN C[C@@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2F)c1ccccc1O ZINC001454808053 1394250941 /nfs/dbraw/zinc/25/09/41/1394250941.db2.gz RZUOVCILHSKYOW-ZWNOBZJWSA-N 0 0 328.343 2.835 10 10 EFCERN CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871753 1394331554 /nfs/dbraw/zinc/33/15/54/1394331554.db2.gz BRWGBQHOAVLMEZ-INIZCTEOSA-N 0 0 337.383 2.766 10 10 EFCERN CSc1nccnc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456308998 1394664295 /nfs/dbraw/zinc/66/42/95/1394664295.db2.gz LJMJQSVSIHUXED-UHFFFAOYSA-N 0 0 325.393 2.987 10 10 EFCERN CC(=O)N[C@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCCC1 ZINC001456312393 1394664933 /nfs/dbraw/zinc/66/49/33/1394664933.db2.gz SEAKMRAKZJVLOY-IBGZPJMESA-N 0 0 340.423 2.857 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(OC(F)F)nc1 ZINC001457033567 1394933042 /nfs/dbraw/zinc/93/30/42/1394933042.db2.gz DFBFCUOGBLIFOC-UHFFFAOYSA-N 0 0 328.702 2.972 10 10 EFCERN Cc1cn2cc(CC(=O)NCc3cccc(Cl)c3O)nc2s1 ZINC001457037690 1394934513 /nfs/dbraw/zinc/93/45/13/1394934513.db2.gz RRTXKMQVUNDIRH-UHFFFAOYSA-N 0 0 335.816 2.922 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2coc(=O)c3ccccc23)c1 ZINC001457615105 1395249220 /nfs/dbraw/zinc/24/92/20/1395249220.db2.gz NATAGGHFLLXKJL-NSHDSACASA-N 0 0 339.347 2.998 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nnn(C)n2)c1 ZINC001457755483 1395314242 /nfs/dbraw/zinc/31/42/42/1395314242.db2.gz QRJPJZVFILZCNQ-UHFFFAOYSA-N 0 0 330.779 2.523 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC001458252350 1395432705 /nfs/dbraw/zinc/43/27/05/1395432705.db2.gz DYILNJNXJVOOTI-ALCCZGGFSA-N 0 0 334.372 2.642 10 10 EFCERN C[C@@H](CC(N)=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458382501 1395456882 /nfs/dbraw/zinc/45/68/82/1395456882.db2.gz BTHHSFFKAGZSMN-NSHDSACASA-N 0 0 327.340 2.502 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@@H]1O ZINC001459689749 1395976337 /nfs/dbraw/zinc/97/63/37/1395976337.db2.gz XXSCMZBTPJLNKM-WFASDCNBSA-N 0 0 341.835 2.572 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC001461338572 1396371335 /nfs/dbraw/zinc/37/13/35/1396371335.db2.gz QUNGZXVMPRXICF-PFVFBNAMSA-N 0 0 328.456 2.882 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COC2CCCCC2)cc1 ZINC001461341737 1396371696 /nfs/dbraw/zinc/37/16/96/1396371696.db2.gz BZUQHTXZXNUHPU-UHFFFAOYSA-N 0 0 334.460 2.939 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(C(F)(F)F)c1 ZINC001463685098 1396512582 /nfs/dbraw/zinc/51/25/82/1396512582.db2.gz OGPKVQIKUAVPBG-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001463773292 1396520130 /nfs/dbraw/zinc/52/01/30/1396520130.db2.gz AWGCSYZOPLTSRD-KRWDZBQOSA-N 0 0 335.467 2.925 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2cccnn12 ZINC001463804444 1396522343 /nfs/dbraw/zinc/52/23/43/1396522343.db2.gz FTKYSTWDKPYUOQ-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(C=O)n1C ZINC001463814589 1396523197 /nfs/dbraw/zinc/52/31/97/1396523197.db2.gz QJFXBTDBAHWTJI-UHFFFAOYSA-N 0 0 325.412 2.710 10 10 EFCERN COc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC001464076620 1396544855 /nfs/dbraw/zinc/54/48/55/1396544855.db2.gz OCHPWASHZSXWRJ-UHFFFAOYSA-N 0 0 325.412 2.549 10 10 EFCERN CC(=O)CC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC001464526595 1396584217 /nfs/dbraw/zinc/58/42/17/1396584217.db2.gz FATAJZCDQILMMC-INIZCTEOSA-N 0 0 344.455 2.850 10 10 EFCERN CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]2CCCO[C@@H]21 ZINC001465534393 1396688390 /nfs/dbraw/zinc/68/83/90/1396688390.db2.gz LMSQRUUBVPGMFQ-MCIONIFRSA-N 0 0 330.388 2.782 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001465540393 1396689182 /nfs/dbraw/zinc/68/91/82/1396689182.db2.gz QUJXGWRKEMUZHH-UHFFFAOYSA-N 0 0 333.334 2.620 10 10 EFCERN Nc1c(Cl)c(Cl)ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001465955495 1396725370 /nfs/dbraw/zinc/72/53/70/1396725370.db2.gz YNFSXOVRQMSSNI-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncc3c(F)cccn32)c1 ZINC001465991919 1396728944 /nfs/dbraw/zinc/72/89/44/1396728944.db2.gz HEYHVQUGGMSCMB-JTQLQIEISA-N 0 0 329.331 2.679 10 10 EFCERN COc1cccc(CNC(=O)c2ccc3ccc(O)cc3c2O)c1O ZINC001465993628 1396730196 /nfs/dbraw/zinc/73/01/96/1396730196.db2.gz UVPQVLBLQNIVRK-UHFFFAOYSA-N 0 0 339.347 2.895 10 10 EFCERN Cc1cc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]n1 ZINC001466289636 1396745503 /nfs/dbraw/zinc/74/55/03/1396745503.db2.gz AUFIGCKXZJZOHE-KRWDZBQOSA-N 0 0 343.427 2.564 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001466790541 1396785627 /nfs/dbraw/zinc/78/56/27/1396785627.db2.gz IDBXAFTWMVEFHD-KWCYVHTRSA-N 0 0 349.427 2.513 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(OC3COC3)cc2)cc1 ZINC001466901342 1396795210 /nfs/dbraw/zinc/79/52/10/1396795210.db2.gz FJGCEYWVWNWLGL-UHFFFAOYSA-N 0 0 340.339 2.879 10 10 EFCERN CC(=O)N(C)c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001466908595 1396796273 /nfs/dbraw/zinc/79/62/73/1396796273.db2.gz RYTVSVUAPQKEAK-UHFFFAOYSA-N 0 0 348.790 2.745 10 10 EFCERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(N(C)C)cc1 ZINC001467261151 1396831188 /nfs/dbraw/zinc/83/11/88/1396831188.db2.gz ZTKWLPNYBIFOPZ-QMMMGPOBSA-N 0 0 337.767 2.528 10 10 EFCERN Cn1nccc1[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001467448536 1396857464 /nfs/dbraw/zinc/85/74/64/1396857464.db2.gz DSUJSKOIDAQRRX-ZDUSSCGKSA-N 0 0 340.387 2.602 10 10 EFCERN COc1ccccc1CONC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467569749 1396873196 /nfs/dbraw/zinc/87/31/96/1396873196.db2.gz UJCCDFWNMMHZGW-UHFFFAOYSA-N 0 0 328.328 2.719 10 10 EFCERN O=C(Nc1ccccc1[C@@H](O)c1ccccn1)c1cccc(O)c1O ZINC001467755128 1396892292 /nfs/dbraw/zinc/89/22/92/1396892292.db2.gz PFDYMSHJFQBGPN-QGZVFWFLSA-N 0 0 336.347 2.827 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cccn2nccc12 ZINC001467763297 1396893529 /nfs/dbraw/zinc/89/35/29/1396893529.db2.gz HTRYIMVURPCVCM-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cc2cccn2cn1 ZINC001467763319 1396893771 /nfs/dbraw/zinc/89/37/71/1396893771.db2.gz IHDVVGCXJCYFNT-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN CCCOc1cccnc1C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001467839893 1396903147 /nfs/dbraw/zinc/90/31/47/1396903147.db2.gz GOWHNGBRLBMBSW-UHFFFAOYSA-N 0 0 335.400 2.992 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc([N+](=O)[O-])c[nH]1 ZINC001468657445 1396977177 /nfs/dbraw/zinc/97/71/77/1396977177.db2.gz CKRPDGJEBKKKIP-UHFFFAOYSA-N 0 0 348.322 2.885 10 10 EFCERN CC(C)n1cc(C(C)(C)NC(=O)c2ccc(N=NC(N)=O)cc2)nn1 ZINC001469131773 1397004386 /nfs/dbraw/zinc/00/43/86/1397004386.db2.gz WXQMBLUKGUAASH-UHFFFAOYSA-N 0 0 343.391 2.687 10 10 EFCERN COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(O)cc1O ZINC001469158790 1397006838 /nfs/dbraw/zinc/00/68/38/1397006838.db2.gz FQZDKTVUFYUCKU-UHFFFAOYSA-N 0 0 349.408 2.767 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cnc2ccccc2c1O ZINC001469248628 1397015995 /nfs/dbraw/zinc/01/59/95/1397015995.db2.gz JQQOLTNEMDCKJJ-UHFFFAOYSA-N 0 0 345.358 2.712 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001469251001 1397016020 /nfs/dbraw/zinc/01/60/20/1397016020.db2.gz VYTWRKJBBWIXPH-OAHLLOKOSA-N 0 0 347.374 2.683 10 10 EFCERN O=C(NCCc1ccc(F)c(F)c1F)NCc1c(O)cccc1F ZINC001469523275 1397034305 /nfs/dbraw/zinc/03/43/05/1397034305.db2.gz CDYQBEZQJIEJFK-UHFFFAOYSA-N 0 0 342.292 2.991 10 10 EFCERN C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001470022449 1397067261 /nfs/dbraw/zinc/06/72/61/1397067261.db2.gz QCFOHIYVRIKRFM-GFCCVEGCSA-N 0 0 329.356 2.903 10 10 EFCERN Cc1cc(CNC(=O)NCC2(CO)CC2)c(C)n1-c1ccccc1 ZINC001471036725 1397135381 /nfs/dbraw/zinc/13/53/81/1397135381.db2.gz GVBHYXDUCHDXAI-UHFFFAOYSA-N 0 0 327.428 2.666 10 10 EFCERN C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1N)c1ccccc1O ZINC001471198636 1397149279 /nfs/dbraw/zinc/14/92/79/1397149279.db2.gz LTKUQHCYJBDJNW-ZDUSSCGKSA-N 0 0 336.395 2.710 10 10 EFCERN C[C@H](NC(=O)Cc1cccnc1Br)c1ccccc1O ZINC001471194208 1397149447 /nfs/dbraw/zinc/14/94/47/1397149447.db2.gz FTQONEVXNFQSCU-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001471195199 1397149882 /nfs/dbraw/zinc/14/98/82/1397149882.db2.gz ULIYFDWWBFYCBN-LBPRGKRZSA-N 0 0 329.356 2.614 10 10 EFCERN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1ccccc1 ZINC001471194917 1397150019 /nfs/dbraw/zinc/15/00/19/1397150019.db2.gz QOBCSDSZVSHXJT-AWEZNQCLSA-N 0 0 349.390 2.738 10 10 EFCERN CCn1cc(C(=O)NCc2cccc(O)c2O)c(-c2ccccc2)n1 ZINC001471642457 1397191248 /nfs/dbraw/zinc/19/12/48/1397191248.db2.gz VBCJMHXQHZSUIJ-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001471644401 1397191794 /nfs/dbraw/zinc/19/17/94/1397191794.db2.gz SQTYEIXXJZRRTD-UHFFFAOYSA-N 0 0 328.280 2.682 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc([C@H]2CCCOC2)cc1 ZINC001471660852 1397194997 /nfs/dbraw/zinc/19/49/97/1397194997.db2.gz BQQMNDAAAXZFQH-HNNXBMFYSA-N 0 0 327.380 2.922 10 10 EFCERN O=C(Cc1ccccc1C(F)(F)F)NCc1cc(O)ccc1O ZINC001471661031 1397195034 /nfs/dbraw/zinc/19/50/34/1397195034.db2.gz DPNJIZLGPUMTSN-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN CCOC(=O)[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001471933183 1397223832 /nfs/dbraw/zinc/22/38/32/1397223832.db2.gz JZOLLEWHLUTXAH-LJQANCHMSA-N 0 0 343.379 2.615 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(Cn2cccn2)cc1 ZINC001471974579 1397229883 /nfs/dbraw/zinc/22/98/83/1397229883.db2.gz GEPBWTRURIGWOY-UHFFFAOYSA-N 0 0 325.343 2.706 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1ccccc1F ZINC001472063497 1397241939 /nfs/dbraw/zinc/24/19/39/1397241939.db2.gz LHOZPMXRXOYMHN-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN CC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472086225 1397245436 /nfs/dbraw/zinc/24/54/36/1397245436.db2.gz QVDKDTRPNUBWCA-QGZVFWFLSA-N 0 0 326.396 2.563 10 10 EFCERN O=C(NCCc1ccccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001478562084 1397584507 /nfs/dbraw/zinc/58/45/07/1397584507.db2.gz PHFQRNDGMIPPBP-UHFFFAOYSA-N 0 0 327.340 2.568 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(OC(C)C)C1 ZINC001478840394 1397591488 /nfs/dbraw/zinc/59/14/88/1397591488.db2.gz BQZZMZGZEQXJQG-HNNXBMFYSA-N 0 0 333.476 2.811 10 10 EFCERN C[C@@H]1C[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001493356955 1398638544 /nfs/dbraw/zinc/63/85/44/1398638544.db2.gz RMGDHLUXHJFHFW-VNQPRFMTSA-N 0 0 342.443 2.780 10 10 EFCERN CN(C/C=C\Cl)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496844032 1401033314 /nfs/dbraw/zinc/03/33/14/1401033314.db2.gz NZFIKAXVWUGQTJ-FCFCOYCESA-N 0 0 337.811 2.605 10 10 EFCERN CCOCc1nnc(N(C)CC)n1CCCSc1nccs1 ZINC001503012972 1404458683 /nfs/dbraw/zinc/45/86/83/1404458683.db2.gz YSLVGUORYDPLGU-UHFFFAOYSA-N 0 0 341.506 2.910 10 10 EFCERN CO[C@H](C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001503944194 1404515066 /nfs/dbraw/zinc/51/50/66/1404515066.db2.gz LRGLKLBDIIVQLX-CYBMUJFWSA-N 0 0 332.448 2.953 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)NC(=O)C(C)(C)C ZINC001508589053 1407547814 /nfs/dbraw/zinc/54/78/14/1407547814.db2.gz YZMKEKFBXSAIOD-GHMZBOCLSA-N 0 0 347.419 2.518 10 10 EFCERN CC[C@](C)(O)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001512671166 1413523899 /nfs/dbraw/zinc/52/38/99/1413523899.db2.gz KRJSTHJATFEVEB-IBGZPJMESA-N 0 0 346.475 2.980 10 10 EFCERN COc1ccc(N2CCN(c3nnc(C)n3[C@@H]3C[C@@H]3C)CC2)cc1F ZINC001554959407 1415025476 /nfs/dbraw/zinc/02/54/76/1415025476.db2.gz NDFMBNHGBDUZJH-BLLLJJGKSA-N 0 0 345.422 2.642 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556157539 1415056319 /nfs/dbraw/zinc/05/63/19/1415056319.db2.gz DSHIAQZOEYROBC-JTQLQIEISA-N 0 0 342.355 2.621 10 10 EFCERN COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 ZINC001556305712 1415063376 /nfs/dbraw/zinc/06/33/76/1415063376.db2.gz BGIKWPUYIWBAMI-GFCCVEGCSA-N 0 0 346.368 2.555 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3c(c2)OC(F)(F)O3)c(O)c1 ZINC001556354322 1415065497 /nfs/dbraw/zinc/06/54/97/1415065497.db2.gz FQAAPAYMOTVRIP-UHFFFAOYSA-N 0 0 337.278 2.652 10 10 EFCERN COc1ccc(CNC(=O)Cc2cc3ccccc3c(=O)[nH]2)c(O)c1 ZINC001556353827 1415065653 /nfs/dbraw/zinc/06/56/53/1415065653.db2.gz MARYDHQKDHMENA-UHFFFAOYSA-N 0 0 338.363 2.514 10 10 EFCERN COC[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001556654856 1415080593 /nfs/dbraw/zinc/08/05/93/1415080593.db2.gz QSLUZMHOCLBGSE-GFCCVEGCSA-N 0 0 335.787 2.911 10 10 EFCERN CCN1C[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1=O ZINC001556709909 1415083438 /nfs/dbraw/zinc/08/34/38/1415083438.db2.gz PHBYDHZMIVJSCR-OAHLLOKOSA-N 0 0 343.402 2.584 10 10 EFCERN O=C(Cc1ccccc1C(F)(F)F)NCc1ccc(O)cc1O ZINC001557084912 1415103351 /nfs/dbraw/zinc/10/33/51/1415103351.db2.gz SWLPKQCOVNIFGB-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccccc2Cl)c1 ZINC001557084661 1415103912 /nfs/dbraw/zinc/10/39/12/1415103912.db2.gz JCJGZAIUKOFHEX-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccc(O)cc1O ZINC001557085600 1415104391 /nfs/dbraw/zinc/10/43/91/1415104391.db2.gz QLYQHOMMVVZKKZ-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(Cc1csc2nccn12)NCc1ccc2cccnc2c1O ZINC001557121961 1415106132 /nfs/dbraw/zinc/10/61/32/1415106132.db2.gz DLTUSDMOCAYCCD-UHFFFAOYSA-N 0 0 338.392 2.509 10 10 EFCERN Cc1c(F)ccc(N)c1C(=O)NCc1ccc2cccnc2c1O ZINC001557121896 1415106264 /nfs/dbraw/zinc/10/62/64/1415106264.db2.gz CGXNWRRVHKHSBI-UHFFFAOYSA-N 0 0 325.343 2.900 10 10 EFCERN COC(=O)C1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001557133456 1415107210 /nfs/dbraw/zinc/10/72/10/1415107210.db2.gz LQRCTPUJCMINIP-UHFFFAOYSA-N 0 0 326.396 2.729 10 10 EFCERN COC(=O)[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H](C)CC1 ZINC001557417023 1415125136 /nfs/dbraw/zinc/12/51/36/1415125136.db2.gz QKCZMYXXUVIEPR-QQVUYCAZSA-N 0 0 346.387 2.701 10 10 EFCERN Cn1cc([C@H]2N(C(=O)c3ccc(N=NC(N)=O)cc3)CC2(C)C)cn1 ZINC001557721525 1415139870 /nfs/dbraw/zinc/13/98/70/1415139870.db2.gz PTEFHAJOOOXOKI-CQSZACIVSA-N 0 0 340.387 2.806 10 10 EFCERN Cc1cc(CNC(=O)c2ccnc3n[nH]nc32)c(C)n1-c1ccccc1 ZINC001557888185 1415150031 /nfs/dbraw/zinc/15/00/31/1415150031.db2.gz SWFGJFSTOLQPPK-UHFFFAOYSA-N 0 0 346.394 2.690 10 10 EFCERN C[C@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1ccccc1O ZINC001557968212 1415153350 /nfs/dbraw/zinc/15/33/50/1415153350.db2.gz UHXUOLFSBMIIBG-ZDUSSCGKSA-N 0 0 339.395 2.514 10 10 EFCERN COc1ccccc1-c1nn(C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001558036072 1415156385 /nfs/dbraw/zinc/15/63/85/1415156385.db2.gz SNKITEGKAMWMRX-UHFFFAOYSA-N 0 0 349.390 2.957 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cnc(CCC(F)(F)F)s1 ZINC001558161235 1415163461 /nfs/dbraw/zinc/16/34/61/1415163461.db2.gz JMQVIMHEDCYXME-UHFFFAOYSA-N 0 0 346.330 2.979 10 10 EFCERN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1cc(O)ccc1O ZINC001558174864 1415163764 /nfs/dbraw/zinc/16/37/64/1415163764.db2.gz AEBMXKFLRFLYSK-UHFFFAOYSA-N 0 0 333.771 2.545 10 10 EFCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001558175502 1415164486 /nfs/dbraw/zinc/16/44/86/1415164486.db2.gz SXJOXYIZGZOHCW-LBPRGKRZSA-N 0 0 335.791 2.653 10 10 EFCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001558175501 1415164718 /nfs/dbraw/zinc/16/47/18/1415164718.db2.gz SXJOXYIZGZOHCW-GFCCVEGCSA-N 0 0 335.791 2.653 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1c1ncccn1 ZINC001558181418 1415164920 /nfs/dbraw/zinc/16/49/20/1415164920.db2.gz QVFWCYSEZNYHAZ-QPBFKRLHSA-N 0 0 325.368 2.655 10 10 EFCERN Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2cccc(O)c2O)cc1 ZINC001558299404 1415171423 /nfs/dbraw/zinc/17/14/23/1415171423.db2.gz FOMYVJWNFAOZLS-UHFFFAOYSA-N 0 0 337.379 2.987 10 10 EFCERN CCn1ncc2cc(C(=O)NCc3c(O)cccc3F)c(C)nc21 ZINC001558455679 1415180746 /nfs/dbraw/zinc/18/07/46/1415180746.db2.gz XARWQTUIMBWEIT-UHFFFAOYSA-N 0 0 328.347 2.534 10 10 EFCERN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCc1c(O)cccc1O ZINC001558535675 1415186916 /nfs/dbraw/zinc/18/69/16/1415186916.db2.gz NJSAFPBEHZPUOM-RNCFNFMXSA-N 0 0 333.306 2.604 10 10 EFCERN Cc1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)c(O)c1O ZINC001558546754 1415187442 /nfs/dbraw/zinc/18/74/42/1415187442.db2.gz RJFAQXNHLBFYBF-UHFFFAOYSA-N 0 0 341.363 2.597 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCc2ncncc2C1 ZINC001558554484 1415188450 /nfs/dbraw/zinc/18/84/50/1415188450.db2.gz RMRYCBMRUBDEPV-CQSZACIVSA-N 0 0 333.391 2.757 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(-c2nc[nH]n2)c1 ZINC001558757135 1415199432 /nfs/dbraw/zinc/19/94/32/1415199432.db2.gz QJDLWAQEXHTHRR-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN CC1(C)CCC[C@](O)(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001559024001 1415219156 /nfs/dbraw/zinc/21/91/56/1415219156.db2.gz QWTJKJLZNHAJNP-QGZVFWFLSA-N 0 0 325.380 2.688 10 10 EFCERN COC(=O)c1cnc(SCC(=O)COc2ccc(F)cc2)s1 ZINC001559416615 1415243873 /nfs/dbraw/zinc/24/38/73/1415243873.db2.gz QITAYNNQNQRHSP-UHFFFAOYSA-N 0 0 341.385 2.809 10 10 EFCERN Cc1cc(C(=O)N2CCN(C)C(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001565956222 1415265572 /nfs/dbraw/zinc/26/55/72/1415265572.db2.gz QSLIOCVLKRABHR-UHFFFAOYSA-N 0 0 339.439 2.625 10 10 EFCERN CCN1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001565193360 1415390879 /nfs/dbraw/zinc/39/08/79/1415390879.db2.gz WJTSTQQYSHZASS-UHFFFAOYSA-N 0 0 340.471 2.941 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC001565342990 1415394518 /nfs/dbraw/zinc/39/45/18/1415394518.db2.gz UPUKSKIJEANAIV-NSHDSACASA-N 0 0 345.355 2.869 10 10 EFCERN O=C(NCCCSc1nccs1)c1cc(C(F)(F)F)n[nH]1 ZINC001565619862 1415407468 /nfs/dbraw/zinc/40/74/68/1415407468.db2.gz CSCIJMCYKIYDQT-UHFFFAOYSA-N 0 0 336.364 2.797 10 10 EFCERN C[C@@H]1CN(C)c2ccccc2N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001566086167 1415510443 /nfs/dbraw/zinc/51/04/43/1415510443.db2.gz NERTXKZKHYJXAY-CYBMUJFWSA-N 0 0 326.396 2.759 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001566169622 1415532972 /nfs/dbraw/zinc/53/29/72/1415532972.db2.gz WYNGZOJCDYUGRM-UHFFFAOYSA-N 0 0 339.311 2.913 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cnn(-c2ccccc2F)c1 ZINC001566268108 1415537704 /nfs/dbraw/zinc/53/77/04/1415537704.db2.gz REILOGUZGLQGCY-UHFFFAOYSA-N 0 0 327.315 2.604 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1nnc(-c2ccco2)o1 ZINC001566359511 1415542716 /nfs/dbraw/zinc/54/27/16/1415542716.db2.gz FTKDUBKSUYVOAA-UHFFFAOYSA-N 0 0 339.351 2.844 10 10 EFCERN O=C(COCc1cccc(Cl)c1)NCCc1ccc(O)c(O)c1 ZINC001566369331 1415543354 /nfs/dbraw/zinc/54/33/54/1415543354.db2.gz AOCMSMPYNGSTQG-UHFFFAOYSA-N 0 0 335.787 2.627 10 10 EFCERN O=C(Cn1ccc2ccc(F)cc21)NCCc1ccc(O)c(O)c1 ZINC001566369646 1415543503 /nfs/dbraw/zinc/54/35/03/1415543503.db2.gz OSEQGSXYKCVNPU-UHFFFAOYSA-N 0 0 328.343 2.551 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC001566370246 1415543566 /nfs/dbraw/zinc/54/35/66/1415543566.db2.gz SHOJSCYJXXJMNP-UHFFFAOYSA-N 0 0 330.340 2.595 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001566849575 1415798223 /nfs/dbraw/zinc/79/82/23/1415798223.db2.gz MUPDFJYWYDFPTI-NEPJUHHUSA-N 0 0 339.819 2.983 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001567034310 1415908458 /nfs/dbraw/zinc/90/84/58/1415908458.db2.gz AJORBZLBPGQKNE-SJLPKXTDSA-N 0 0 342.439 2.530 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC001567226565 1416002609 /nfs/dbraw/zinc/00/26/09/1416002609.db2.gz IXQSUTBQYQFIBY-MGPQQGTHSA-N 0 0 328.372 2.536 10 10 EFCERN CCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001568229081 1416449026 /nfs/dbraw/zinc/44/90/26/1416449026.db2.gz ODYSHWCIMCDIFS-JKSUJKDBSA-N 0 0 327.380 2.711 10 10 EFCERN CS(C)(=O)=Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001646034970 1416604107 /nfs/dbraw/zinc/60/41/07/1416604107.db2.gz PVOXSGFAEDODMW-UHFFFAOYSA-N 0 0 336.388 2.820 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001646033762 1416604110 /nfs/dbraw/zinc/60/41/10/1416604110.db2.gz DQATWQIPCGUBDD-AWEZNQCLSA-N 0 0 343.276 2.900 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001646033748 1416604122 /nfs/dbraw/zinc/60/41/22/1416604122.db2.gz DEIGNPRSNPXETK-UHFFFAOYSA-N 0 0 341.342 2.852 10 10 EFCERN CO[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001646220300 1416635413 /nfs/dbraw/zinc/63/54/13/1416635413.db2.gz IPILIFUUJYJNCS-QUCCMNQESA-N 0 0 340.423 2.743 10 10 EFCERN C[C@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001683169838 1416678583 /nfs/dbraw/zinc/67/85/83/1416678583.db2.gz VLTLTHOYDWJYOF-MAUKXSAKSA-N 0 0 331.460 2.996 10 10 EFCERN C[C@@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001683169837 1416678754 /nfs/dbraw/zinc/67/87/54/1416678754.db2.gz VLTLTHOYDWJYOF-CRAIPNDOSA-N 0 0 331.460 2.996 10 10 EFCERN Cc1cc(CCNC(=O)N2CC=C[C@H]2CO)c(C)n1-c1ccccc1 ZINC001684321912 1416717848 /nfs/dbraw/zinc/71/78/48/1416717848.db2.gz GPUAQZCOFWQGRH-IBGZPJMESA-N 0 0 339.439 2.579 10 10 EFCERN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001684392482 1416720376 /nfs/dbraw/zinc/72/03/76/1416720376.db2.gz LSHLTMLUWHIWFF-SNVBAGLBSA-N 0 0 327.340 2.799 10 10 EFCERN CON(C)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001684599800 1416723490 /nfs/dbraw/zinc/72/34/90/1416723490.db2.gz KSZLHYFVBVZGDL-UHFFFAOYSA-N 0 0 344.459 2.695 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC(C)(C)CO2)cc1 ZINC001685098661 1416743007 /nfs/dbraw/zinc/74/30/07/1416743007.db2.gz OZMOEZUTYGCEAM-KRWDZBQOSA-N 0 0 349.475 2.588 10 10 EFCERN Cn1nc(CNC(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001686062450 1416786936 /nfs/dbraw/zinc/78/69/36/1416786936.db2.gz UTAMOQJTEVRPKN-UHFFFAOYSA-N 0 0 344.802 2.932 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001686826971 1416810764 /nfs/dbraw/zinc/81/07/64/1416810764.db2.gz UEHADKXQPRNHTA-LUXYFRNMSA-N 0 0 333.476 2.857 10 10 EFCERN Cc1nnc(N2CCSCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001693547985 1417287629 /nfs/dbraw/zinc/28/76/29/1417287629.db2.gz MCVDKZXVWPCDCO-UHFFFAOYSA-N 0 0 343.500 2.570 10 10 EFCERN CCOCCN(C)c1nnc(C)n1Cc1ccc(N(CC)CC)cc1 ZINC001696410336 1417293022 /nfs/dbraw/zinc/29/30/22/1417293022.db2.gz CIIJYSWCCURQPV-UHFFFAOYSA-N 0 0 345.491 2.954 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]1C ZINC001710648527 1418251810 /nfs/dbraw/zinc/25/18/10/1418251810.db2.gz OKYZPIOCQMDAHH-HIFRSBDPSA-N 0 0 330.432 2.813 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@@H]1C ZINC001710648529 1418252049 /nfs/dbraw/zinc/25/20/49/1418252049.db2.gz OKYZPIOCQMDAHH-ZFWWWQNUSA-N 0 0 330.432 2.813 10 10 EFCERN CON(C)c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001712655721 1418278209 /nfs/dbraw/zinc/27/82/09/1418278209.db2.gz ONOIUCSYHBTLNO-UHFFFAOYSA-N 0 0 329.448 2.869 10 10 EFCERN CCCCC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725990535 1426017292 /nfs/dbraw/zinc/01/72/92/1426017292.db2.gz XSGOUCKCHYQGSZ-LBPRGKRZSA-N 0 0 347.419 2.616 10 10 EFCERN CC[C@H](C)[C@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC ZINC001726851293 1426294301 /nfs/dbraw/zinc/29/43/01/1426294301.db2.gz RDIHOEHIYHEBKO-GUYCJALGSA-N 0 0 332.448 2.990 10 10 EFCERN CC[C@@H](C)[C@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC ZINC001726851291 1426294571 /nfs/dbraw/zinc/29/45/71/1426294571.db2.gz RDIHOEHIYHEBKO-DYVFJYSZSA-N 0 0 332.448 2.990 10 10 EFCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)O ZINC001726877594 1426294686 /nfs/dbraw/zinc/29/46/86/1426294686.db2.gz BKZMCEBPMMBUCE-CYBMUJFWSA-N 0 0 332.448 2.905 10 10 EFCERN CCCCN(C)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001728027635 1426310846 /nfs/dbraw/zinc/31/08/46/1426310846.db2.gz VRPOPZDALXTPIK-UHFFFAOYSA-N 0 0 343.475 2.708 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2Nc2ccn(C)n2)cc1 ZINC001728381851 1426315765 /nfs/dbraw/zinc/31/57/65/1426315765.db2.gz RLUUKONVLBLUTR-UHFFFAOYSA-N 0 0 339.447 2.958 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@](C)(O)C1CC1 ZINC001729419174 1426326113 /nfs/dbraw/zinc/32/61/13/1426326113.db2.gz PTGQFLJRGXYSIQ-LJQANCHMSA-N 0 0 342.443 2.659 10 10 EFCERN CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)OC ZINC000175767686 713268428 /nfs/dbraw/zinc/26/84/28/713268428.db2.gz ISGMETDJSKGBRO-INIZCTEOSA-N 0 0 332.375 2.915 10 10 EFCERN CC(Cl)(Cl)C(=O)NCc1cc(Br)ccc1O ZINC000804733468 713454620 /nfs/dbraw/zinc/45/46/20/713454620.db2.gz QJXIHTJKGWVKEU-UHFFFAOYSA-N 0 0 327.005 2.965 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccn(C(F)F)n1 ZINC000804736266 713455363 /nfs/dbraw/zinc/45/53/63/713455363.db2.gz ORZWYUYIYFOICB-UHFFFAOYSA-N 0 0 346.131 2.676 10 10 EFCERN CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734273 713455554 /nfs/dbraw/zinc/45/55/54/713455554.db2.gz HCRIQABVRMIWFQ-CYBMUJFWSA-N 0 0 341.249 2.645 10 10 EFCERN O=Cc1cc(C(=O)NCc2cc(Br)ccc2O)cs1 ZINC000804734751 713455712 /nfs/dbraw/zinc/45/57/12/713455712.db2.gz YBPXRMJVZQOAPR-UHFFFAOYSA-N 0 0 340.198 2.959 10 10 EFCERN O=C(COC1CCCC1)NCc1cc(Br)ccc1O ZINC000804736629 713456059 /nfs/dbraw/zinc/45/60/59/713456059.db2.gz WIMIEXDJWWSEJS-UHFFFAOYSA-N 0 0 328.206 2.730 10 10 EFCERN CC1(C(=O)NCc2cc(Br)ccc2O)CCOCC1 ZINC000804737015 713456065 /nfs/dbraw/zinc/45/60/65/713456065.db2.gz ADUQSDAHHQWMHH-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CCCOCC1 ZINC000804738532 713456378 /nfs/dbraw/zinc/45/63/78/713456378.db2.gz UFEVOMKXWSLAHR-JTQLQIEISA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1c[nH]c2ncccc12 ZINC000804739079 713456417 /nfs/dbraw/zinc/45/64/17/713456417.db2.gz PZTFORWEVUTCJV-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(/C=C\c1cncc(O)c1)NCc1cc(Br)ccc1O ZINC000804740920 713457005 /nfs/dbraw/zinc/45/70/05/713457005.db2.gz PILYIBNVZLXSIR-RJRFIUFISA-N 0 0 349.184 2.585 10 10 EFCERN O=c1[nH]ncc(NCc2cc(Br)ccc2O)c1Cl ZINC000804828257 713488092 /nfs/dbraw/zinc/48/80/92/713488092.db2.gz LVEDHGANBUIELC-UHFFFAOYSA-N 0 0 330.569 2.916 10 10 EFCERN Nc1ccc(NC(=O)NCC(=O)N2CCCCc3ccccc32)cc1 ZINC000926142804 714559769 /nfs/dbraw/zinc/55/97/69/714559769.db2.gz MABYIPOMNIOIMC-UHFFFAOYSA-N 0 0 338.411 2.760 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000089880912 715057121 /nfs/dbraw/zinc/05/71/21/715057121.db2.gz RSTPRAVFEKCMGO-LBPRGKRZSA-N 0 0 343.383 2.712 10 10 EFCERN CC(=O)c1c(F)cncc1NCc1ccc(N2CCOCC2)cc1 ZINC000891967709 715193407 /nfs/dbraw/zinc/19/34/07/715193407.db2.gz PNENONCWSXJDTL-UHFFFAOYSA-N 0 0 329.375 2.872 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@]2(C)C=CCC2)cc1 ZINC000924406397 715261934 /nfs/dbraw/zinc/26/19/34/715261934.db2.gz UJOKWUHZPQLVEC-IBGZPJMESA-N 0 0 330.428 2.611 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1O ZINC000124398783 715348100 /nfs/dbraw/zinc/34/81/00/715348100.db2.gz XAUDMTFJUULJPJ-UHFFFAOYSA-N 0 0 347.864 2.503 10 10 EFCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000161310782 715566446 /nfs/dbraw/zinc/56/64/46/715566446.db2.gz FFCHLIFJJPJROM-QAPCUYQASA-N 0 0 347.455 2.963 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000161310662 715566493 /nfs/dbraw/zinc/56/64/93/715566493.db2.gz FFCHLIFJJPJROM-YJBOKZPZSA-N 0 0 347.455 2.963 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000127980045 715647627 /nfs/dbraw/zinc/64/76/27/715647627.db2.gz UVGIJEWUARMTBM-MRXNPFEDSA-N 0 0 338.517 2.932 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)[nH]n1 ZINC000161369977 715708832 /nfs/dbraw/zinc/70/88/32/715708832.db2.gz CMVXQFBBTGSWNB-LBPRGKRZSA-N 0 0 337.427 2.882 10 10 EFCERN CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000199376051 715799131 /nfs/dbraw/zinc/79/91/31/715799131.db2.gz BEUZWNBMSXXDGT-YHYXMXQVSA-N 0 0 339.354 2.724 10 10 EFCERN O=C([O-])/C=C\c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000327353090 715969619 /nfs/dbraw/zinc/96/96/19/715969619.db2.gz MGSDHLBQNBFJAF-VURMDHGXSA-N 0 0 345.399 2.757 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000303980755 724440971 /nfs/dbraw/zinc/44/09/71/724440971.db2.gz OLVHNEDOSIHSHB-INIZCTEOSA-N 0 0 349.390 2.584 10 10 EFCERN Cc1cc(/C=C\C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccccc1 ZINC000104339059 716096948 /nfs/dbraw/zinc/09/69/48/716096948.db2.gz KBQNOSKNSMIPPW-KVPUOBJLSA-N 0 0 349.438 2.904 10 10 EFCERN CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000052529411 716269548 /nfs/dbraw/zinc/26/95/48/716269548.db2.gz JIEVFUMWBICAKW-KRWDZBQOSA-N 0 0 330.476 2.570 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924493464 716377203 /nfs/dbraw/zinc/37/72/03/716377203.db2.gz AFCYOYXOQUCTPP-WCQYABFASA-N 0 0 332.322 2.644 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(O)CCCCC1 ZINC000304323573 724451758 /nfs/dbraw/zinc/45/17/58/724451758.db2.gz ACUYUVSKRXSJDS-UHFFFAOYSA-N 0 0 327.384 2.675 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1C1CC1 ZINC000926629662 717763666 /nfs/dbraw/zinc/76/36/66/717763666.db2.gz ZDTJJHJXSXHSOJ-QWHCGFSZSA-N 0 0 337.441 2.894 10 10 EFCERN Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c(O)c1O ZINC000179542128 717773251 /nfs/dbraw/zinc/77/32/51/717773251.db2.gz VQMLDGFIGGICGF-NSHDSACASA-N 0 0 348.349 2.693 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC4(CCC4)O3)C2)cc1 ZINC000892684221 718654631 /nfs/dbraw/zinc/65/46/31/718654631.db2.gz BXKPBKALYYRJPM-YJBOKZPZSA-N 0 0 344.455 2.882 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000305837826 724553182 /nfs/dbraw/zinc/55/31/82/724553182.db2.gz XUDYYPVBZOMMTA-ZBFHGGJFSA-N 0 0 341.411 2.874 10 10 EFCERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC000928712939 724591023 /nfs/dbraw/zinc/59/10/23/724591023.db2.gz YCFWVMQQWWIMEO-LBPRGKRZSA-N 0 0 336.329 2.714 10 10 EFCERN CNC(=O)[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)C(C)C ZINC000178587339 719818690 /nfs/dbraw/zinc/81/86/90/719818690.db2.gz JQQGJKJLDDDVED-CQSZACIVSA-N 0 0 333.457 2.656 10 10 EFCERN C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925853386 719835405 /nfs/dbraw/zinc/83/54/05/719835405.db2.gz INZLQXKIAMCRIH-TVQRCGJNSA-N 0 0 333.310 2.636 10 10 EFCERN COC(=O)c1c(CN2CCCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000893994950 720201137 /nfs/dbraw/zinc/20/11/37/720201137.db2.gz GBBPDYSJNGHZMF-LBPRGKRZSA-N 0 0 334.391 2.715 10 10 EFCERN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000894003549 720218153 /nfs/dbraw/zinc/21/81/53/720218153.db2.gz NJAHDBSATVATNU-ZDUSSCGKSA-N 0 0 343.240 2.962 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894034324 720234829 /nfs/dbraw/zinc/23/48/29/720234829.db2.gz REDGCFCTIQSHGQ-JSGCOSHPSA-N 0 0 348.418 2.839 10 10 EFCERN COC(=O)CC1(CC(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000188907829 720577228 /nfs/dbraw/zinc/57/72/28/720577228.db2.gz PVCPSEZOGXZMDC-UHFFFAOYSA-N 0 0 332.444 2.882 10 10 EFCERN COc1ccc(F)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000190975476 720704359 /nfs/dbraw/zinc/70/43/59/720704359.db2.gz DWQVIXIMTMCYFY-JTQLQIEISA-N 0 0 334.347 2.998 10 10 EFCERN CCOC(=O)c1sc([C@@H](C)NC(=O)Cc2ccc(N)cc2)nc1C ZINC000237008256 720763162 /nfs/dbraw/zinc/76/31/62/720763162.db2.gz POGXHESRHNMXKS-LLVKDONJSA-N 0 0 347.440 2.630 10 10 EFCERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894285446 721920154 /nfs/dbraw/zinc/92/01/54/721920154.db2.gz WSSLWSWKORCZKO-FMKPAKJESA-N 0 0 347.459 2.845 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928134626 721978960 /nfs/dbraw/zinc/97/89/60/721978960.db2.gz CTEXNMPQWMVITF-KMOQFTEPSA-N 0 0 333.331 2.617 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1CCOc2ccccc21 ZINC000917583877 728760253 /nfs/dbraw/zinc/76/02/53/728760253.db2.gz ZBCQWCBCNSGLAV-GFCCVEGCSA-N 0 0 330.359 2.897 10 10 EFCERN Cc1cc(C(=O)NC2(C(=O)N(C)C)CC2)c(C)n1-c1ccccc1C ZINC000840506270 722782547 /nfs/dbraw/zinc/78/25/47/722782547.db2.gz WHTUPOMEKLHVSL-UHFFFAOYSA-N 0 0 339.439 2.753 10 10 EFCERN COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000894781072 722846667 /nfs/dbraw/zinc/84/66/67/722846667.db2.gz NIJOFYOMJUXLFX-WPRPVWTQSA-N 0 0 340.153 2.843 10 10 EFCERN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894881019 722937263 /nfs/dbraw/zinc/93/72/63/722937263.db2.gz KHRMNZXBEHLZDJ-ZANVPECISA-N 0 0 332.213 2.887 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(OC)nc2)c1 ZINC000896162410 723163161 /nfs/dbraw/zinc/16/31/61/723163161.db2.gz DBCBZTVNACQDGW-LBPRGKRZSA-N 0 0 330.384 2.614 10 10 EFCERN CC(C)(C)[S@@](=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896320637 723251248 /nfs/dbraw/zinc/25/12/48/723251248.db2.gz AFGLPTCRIQCDHJ-QFIPXVFZSA-N 0 0 341.454 2.590 10 10 EFCERN COc1ccc(O)c(CNC(=O)C[C@@H]2CCc3sccc3C2=O)c1 ZINC000896362676 723270646 /nfs/dbraw/zinc/27/06/46/723270646.db2.gz VFVNKYXYURJVSX-NSHDSACASA-N 0 0 345.420 2.914 10 10 EFCERN CC[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)OC ZINC000895128905 723391271 /nfs/dbraw/zinc/39/12/71/723391271.db2.gz ZFEUPTOYCJTSIH-SNVBAGLBSA-N 0 0 330.222 2.752 10 10 EFCERN C[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC000154627783 728828858 /nfs/dbraw/zinc/82/88/58/728828858.db2.gz XXVPQBVOMVZSAP-GTNSWQLSSA-N 0 0 335.359 2.968 10 10 EFCERN COc1cccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)n1 ZINC000727277384 723887679 /nfs/dbraw/zinc/88/76/79/723887679.db2.gz MPZISCWOVDNLKD-UHFFFAOYSA-N 0 0 345.424 2.738 10 10 EFCERN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC[C@@H]1O ZINC000896934284 723896183 /nfs/dbraw/zinc/89/61/83/723896183.db2.gz MZHKVLGUBBWHHW-DOTOQJQBSA-N 0 0 335.425 2.984 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000897158094 724054914 /nfs/dbraw/zinc/05/49/14/724054914.db2.gz AWQDEZFSGKCMNY-GHMZBOCLSA-N 0 0 333.409 2.811 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2COCC[C@H]21 ZINC000897217211 724087079 /nfs/dbraw/zinc/08/70/79/724087079.db2.gz MQJKRTXXOVHXGM-CMPLNLGQSA-N 0 0 333.409 2.954 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2COCC[C@H]21 ZINC000897217214 724087254 /nfs/dbraw/zinc/08/72/54/724087254.db2.gz MQJKRTXXOVHXGM-ZYHUDNBSSA-N 0 0 333.409 2.954 10 10 EFCERN CCOC(=O)C[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897250139 724126268 /nfs/dbraw/zinc/12/62/68/724126268.db2.gz WKDZPLFFAVPQBJ-SECBINFHSA-N 0 0 337.397 2.632 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccn4ccccc34)CC2)cc1 ZINC000895445724 724137042 /nfs/dbraw/zinc/13/70/42/724137042.db2.gz VXACHOBJYRFEPK-UHFFFAOYSA-N 0 0 335.407 2.910 10 10 EFCERN CCC1(CO)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897266565 724153986 /nfs/dbraw/zinc/15/39/86/724153986.db2.gz MGZZZTKRIGANAT-UHFFFAOYSA-N 0 0 335.425 2.937 10 10 EFCERN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)ccc(F)c1F ZINC000895535655 724186050 /nfs/dbraw/zinc/18/60/50/724186050.db2.gz BWDPNXKUJUHQFS-CYBMUJFWSA-N 0 0 327.371 2.736 10 10 EFCERN COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000895634282 724228407 /nfs/dbraw/zinc/22/84/07/724228407.db2.gz KUTGWUZVQQAJLK-SFHVURJKSA-N 0 0 335.350 2.603 10 10 EFCERN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895670696 724252558 /nfs/dbraw/zinc/25/25/58/724252558.db2.gz OUQXOGRLGVEFPL-NSHDSACASA-N 0 0 343.408 2.853 10 10 EFCERN Cc1nccn1CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895788419 724314889 /nfs/dbraw/zinc/31/48/89/724314889.db2.gz UHAGKQKPUYXWNZ-UHFFFAOYSA-N 0 0 331.397 2.638 10 10 EFCERN O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc2cc(O)c(O)cc2s1 ZINC000897304469 724318757 /nfs/dbraw/zinc/31/87/57/724318757.db2.gz LFKQKSMPQSIKBA-LLVKDONJSA-N 0 0 349.408 2.728 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(CCCO)CC1 ZINC000897364028 725014846 /nfs/dbraw/zinc/01/48/46/725014846.db2.gz VGSKGJDKXREUKG-UHFFFAOYSA-N 0 0 335.425 2.937 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000918736081 728918362 /nfs/dbraw/zinc/91/83/62/728918362.db2.gz PWIVJCXCLPHGPG-LEJCZOIISA-N 0 0 334.372 2.786 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000918947703 728945427 /nfs/dbraw/zinc/94/54/27/728945427.db2.gz QKGAEUUADQFZQE-CQSZACIVSA-N 0 0 343.402 3.000 10 10 EFCERN Oc1cccc(Br)c1CN1CCN(CC(F)F)CC1 ZINC000862235811 725453255 /nfs/dbraw/zinc/45/32/55/725453255.db2.gz ZTUMIPJSKDELSL-UHFFFAOYSA-N 0 0 335.192 2.537 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](CO)c2ccccc2)c(C)n1-c1ccccn1 ZINC000151685116 725808339 /nfs/dbraw/zinc/80/83/39/725808339.db2.gz QRXVGPUEQNHRHO-SFHVURJKSA-N 0 0 349.434 2.995 10 10 EFCERN C[C@@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1ccccc1O ZINC000913763890 725853275 /nfs/dbraw/zinc/85/32/75/725853275.db2.gz UUXAHTLOYQMPCC-GMSGAONNSA-N 0 0 326.607 2.691 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000914163482 726093311 /nfs/dbraw/zinc/09/33/11/726093311.db2.gz YWMWUJIHIAKFRR-AWEZNQCLSA-N 0 0 343.402 2.857 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCc3ccccn3)CC2)cc1 ZINC000729245779 726158252 /nfs/dbraw/zinc/15/82/52/726158252.db2.gz HLSSGLXBFSUKFA-UHFFFAOYSA-N 0 0 339.439 2.762 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2cncc(O)c2)cc1 ZINC000914254321 726205190 /nfs/dbraw/zinc/20/51/90/726205190.db2.gz GCJCZYYFNSOQSZ-UHFFFAOYSA-N 0 0 328.416 2.633 10 10 EFCERN CC[C@]1(CO)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897454440 726215571 /nfs/dbraw/zinc/21/55/71/726215571.db2.gz DKSMHSQLXKIQRA-KRWDZBQOSA-N 0 0 335.425 2.937 10 10 EFCERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)NCc1ccc(N2CCOCC2)cc1 ZINC000914335823 726242126 /nfs/dbraw/zinc/24/21/26/726242126.db2.gz LYLRTHKPCOZINE-YQVWRLOYSA-N 0 0 343.471 2.759 10 10 EFCERN CCn1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C1CC1 ZINC000906855238 726812669 /nfs/dbraw/zinc/81/26/69/726812669.db2.gz JXEWENBUNGMRHY-UHFFFAOYSA-N 0 0 340.427 2.886 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000907059645 726856551 /nfs/dbraw/zinc/85/65/51/726856551.db2.gz GRFVDIKGBBHDRY-UHFFFAOYSA-N 0 0 329.400 2.722 10 10 EFCERN CCn1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C1CC1 ZINC000907272757 726900066 /nfs/dbraw/zinc/90/00/66/726900066.db2.gz IVXFLQXVGWNHBM-LLVKDONJSA-N 0 0 329.400 2.553 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)OCCc2ccccc21 ZINC000907274378 726900402 /nfs/dbraw/zinc/90/04/02/726900402.db2.gz PSYPSCBGGKDYNE-ZUOKHONESA-N 0 0 341.407 2.633 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153538830 726920294 /nfs/dbraw/zinc/92/02/94/726920294.db2.gz HFOAUQKIGDXYCS-CYBMUJFWSA-N 0 0 327.384 2.938 10 10 EFCERN O=C(C1=CC(=O)CS1)N1CCC(c2nnc3ccccn32)CC1 ZINC000731864641 726944620 /nfs/dbraw/zinc/94/46/20/726944620.db2.gz BFDYTKPYZUWWIU-UHFFFAOYSA-N 0 0 328.397 2.516 10 10 EFCERN CCc1onc(C)c1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000915390758 726970280 /nfs/dbraw/zinc/97/02/80/726970280.db2.gz PIDIWVDGZGRVQU-UHFFFAOYSA-N 0 0 342.443 2.927 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC000731990760 726973316 /nfs/dbraw/zinc/97/33/16/726973316.db2.gz HSGCTPSKQGAOEH-DANTVBBOSA-N 0 0 335.407 2.680 10 10 EFCERN COC(=O)[C@H](C)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000907695263 726994355 /nfs/dbraw/zinc/99/43/55/726994355.db2.gz WTTGXDOWIOCMGS-VIFPVBQESA-N 0 0 349.408 2.869 10 10 EFCERN COc1ccccc1N1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732280702 727015574 /nfs/dbraw/zinc/01/55/74/727015574.db2.gz PXKPSWZKXUCFKM-UHFFFAOYSA-N 0 0 332.425 2.861 10 10 EFCERN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732289678 727016659 /nfs/dbraw/zinc/01/66/59/727016659.db2.gz JUJGMVLSSCSHTL-UHFFFAOYSA-N 0 0 340.445 2.925 10 10 EFCERN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000732288922 727016678 /nfs/dbraw/zinc/01/66/78/727016678.db2.gz XSRARSHGHFAONI-AWEZNQCLSA-N 0 0 346.408 2.706 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000915526306 727087471 /nfs/dbraw/zinc/08/74/71/727087471.db2.gz XBHXPUMKPCQOCY-WCQYABFASA-N 0 0 332.322 2.691 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@]1(c2ccccc2)CCCO1 ZINC000915524215 727088596 /nfs/dbraw/zinc/08/85/96/727088596.db2.gz CISMKZXEWQRWFW-IBGZPJMESA-N 0 0 326.396 2.897 10 10 EFCERN CCN(CC(C)=O)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000908393358 727177647 /nfs/dbraw/zinc/17/76/47/727177647.db2.gz BVMRUUXXTZGYLD-UHFFFAOYSA-N 0 0 326.396 2.958 10 10 EFCERN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000027578598 727275118 /nfs/dbraw/zinc/27/51/18/727275118.db2.gz IEFDTDWULGQTGF-UHFFFAOYSA-N 0 0 340.379 2.815 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCC2(Br)CC2)cc1 ZINC000910224587 727419917 /nfs/dbraw/zinc/41/99/17/727419917.db2.gz SWYCSDQDRWDZEK-UHFFFAOYSA-N 0 0 325.166 2.506 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000910559626 727452795 /nfs/dbraw/zinc/45/27/95/727452795.db2.gz XSSUPAOZBXFQGJ-ZMYBRWDISA-N 0 0 330.472 2.923 10 10 EFCERN O=C(CO[C@H]1CCCc2ccccc21)NCc1ccc(O)cc1O ZINC000910945932 727475258 /nfs/dbraw/zinc/47/52/58/727475258.db2.gz FEOZZYVNKDFVAV-SFHVURJKSA-N 0 0 327.380 2.808 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276411 727518739 /nfs/dbraw/zinc/51/87/39/727518739.db2.gz MFKJIRWKASVBEB-AWEZNQCLSA-N 0 0 332.444 2.643 10 10 EFCERN Cc1ncccc1/C=C\C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911682504 727581781 /nfs/dbraw/zinc/58/17/81/727581781.db2.gz ALOWQTPTCZRKRC-DANTVBBOSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1cc(CCNC(=O)NCC2(C)COC2)c(C)n1-c1ccccc1 ZINC000732996558 727627488 /nfs/dbraw/zinc/62/74/88/727627488.db2.gz FBOZMBBOQKQVEJ-UHFFFAOYSA-N 0 0 341.455 2.972 10 10 EFCERN CCOc1ccccc1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000153903920 727666665 /nfs/dbraw/zinc/66/66/65/727666665.db2.gz SKFADDVLEWICSB-UHFFFAOYSA-N 0 0 329.396 2.788 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000912180767 727670137 /nfs/dbraw/zinc/67/01/37/727670137.db2.gz QBXJDKJJYVJSAR-SJORKVTESA-N 0 0 341.407 2.696 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)c3nccs3)C2)cc1 ZINC000912292034 727689025 /nfs/dbraw/zinc/68/90/25/727689025.db2.gz HHACXHCODDIZEQ-CYBMUJFWSA-N 0 0 345.468 2.824 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)nc3F)C2)cc1 ZINC000912292959 727689106 /nfs/dbraw/zinc/68/91/06/727689106.db2.gz QWUJAQXBMNDERC-LLVKDONJSA-N 0 0 349.793 2.891 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCn3cncc32)c1 ZINC000912584446 727727099 /nfs/dbraw/zinc/72/70/99/727727099.db2.gz IDIOHFNMOXVSSM-GOSISDBHSA-N 0 0 348.406 2.978 10 10 EFCERN CN=[S@@](C)(=O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000912801797 727746090 /nfs/dbraw/zinc/74/60/90/727746090.db2.gz QISJWFBTNKQOIS-DEOSSOPVSA-N 0 0 347.484 2.860 10 10 EFCERN CC[S@](=O)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000733881198 727767753 /nfs/dbraw/zinc/76/77/53/727767753.db2.gz YIJBBTVTPGOVDU-DEOSSOPVSA-N 0 0 348.468 2.601 10 10 EFCERN COCCN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000917410303 727804591 /nfs/dbraw/zinc/80/45/91/727804591.db2.gz LJOZNCZUPIUFBO-UHFFFAOYSA-N 0 0 344.411 2.584 10 10 EFCERN CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164322857 727933819 /nfs/dbraw/zinc/93/38/19/727933819.db2.gz NCLXHJJEBQMTAF-OAHLLOKOSA-N 0 0 344.459 2.833 10 10 EFCERN COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000156707708 727950086 /nfs/dbraw/zinc/95/00/86/727950086.db2.gz GXZYCFQSPIQFTO-CVEARBPZSA-N 0 0 327.380 2.569 10 10 EFCERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000156707546 727950237 /nfs/dbraw/zinc/95/02/37/727950237.db2.gz GXZYCFQSPIQFTO-HOTGVXAUSA-N 0 0 327.380 2.569 10 10 EFCERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183487122 728123020 /nfs/dbraw/zinc/12/30/20/728123020.db2.gz GLMJRSJIZREUFA-NSHDSACASA-N 0 0 330.340 2.675 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000182543060 728224457 /nfs/dbraw/zinc/22/44/57/728224457.db2.gz ZXWXBRQMUDIZAV-QAPCUYQASA-N 0 0 327.380 2.882 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000183810277 728328420 /nfs/dbraw/zinc/32/84/20/728328420.db2.gz KULYZGOOTGPQPD-UHFFFAOYSA-N 0 0 348.330 2.922 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)cc1 ZINC000173060111 728614886 /nfs/dbraw/zinc/61/48/86/728614886.db2.gz BZZBGILTHZBPPQ-UHFFFAOYSA-N 0 0 346.377 2.865 10 10 EFCERN COC[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000919919204 729112349 /nfs/dbraw/zinc/11/23/49/729112349.db2.gz WTSFVUOPGKHDHW-KRWDZBQOSA-N 0 0 331.460 2.781 10 10 EFCERN C[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000920043403 729129035 /nfs/dbraw/zinc/12/90/35/729129035.db2.gz HXJXBYOEENDJBV-MCIONIFRSA-N 0 0 335.423 2.743 10 10 EFCERN C[C@@]1(CNC(=O)NCCCSc2nccs2)CCCCO1 ZINC000921447198 729459827 /nfs/dbraw/zinc/45/98/27/729459827.db2.gz AOKKUAWFMMBTOB-AWEZNQCLSA-N 0 0 329.491 2.884 10 10 EFCERN C[C@H](O)C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921450047 729460384 /nfs/dbraw/zinc/46/03/84/729460384.db2.gz RAPBYYMCSZKWEI-ZFWWWQNUSA-N 0 0 346.402 2.885 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000921450544 729460556 /nfs/dbraw/zinc/46/05/56/729460556.db2.gz AOPHZUNZLXEOEV-BLLLJJGKSA-N 0 0 339.363 2.646 10 10 EFCERN O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1c(O)cccc1F ZINC000921452373 729460776 /nfs/dbraw/zinc/46/07/76/729460776.db2.gz NEAVHFNNQBRJSY-JTQLQIEISA-N 0 0 337.363 2.776 10 10 EFCERN COc1cccc(CNC(=O)c2sc([C@@H](C)OC)nc2C)c1O ZINC000175258293 729489743 /nfs/dbraw/zinc/48/97/43/729489743.db2.gz DPZCNFUNRCLNAR-SNVBAGLBSA-N 0 0 336.413 2.803 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175506956 729505733 /nfs/dbraw/zinc/50/57/33/729505733.db2.gz ICMUXOCPTBRWND-HZPDHXFCSA-N 0 0 339.391 2.926 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(COC)ncn2)cc1 ZINC000181050444 729776488 /nfs/dbraw/zinc/77/64/88/729776488.db2.gz OYAUTFUIGUMKIM-UHFFFAOYSA-N 0 0 343.431 2.791 10 10 EFCERN C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000865714115 1126114490 /nfs/dbraw/zinc/11/44/90/1126114490.db2.gz FZEKROXTZIROAW-KRWDZBQOSA-N 0 0 334.347 2.523 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cscc1Br ZINC001570462236 1086256998 /nfs/dbraw/zinc/25/69/98/1086256998.db2.gz KTRWUDBCVRBVQK-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C1=C(c2ccccc2)SCCO1 ZINC001570462487 1086257232 /nfs/dbraw/zinc/25/72/32/1086257232.db2.gz VPFZIZUJXPUQSF-UHFFFAOYSA-N 0 0 343.404 2.846 10 10 EFCERN Cc1[nH]c(C(=O)NCc2ccc(O)cc2O)c(C)c1C(=O)OC(C)C ZINC001570462202 1086257829 /nfs/dbraw/zinc/25/78/29/1086257829.db2.gz IPTSALGDJWMXKY-UHFFFAOYSA-N 0 0 346.383 2.538 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H](O)c1ccc(Cl)cc1 ZINC001570533666 1086323515 /nfs/dbraw/zinc/32/35/15/1086323515.db2.gz LWOLJKMDCUJSHJ-KRWDZBQOSA-N 0 0 342.782 2.944 10 10 EFCERN O=C(Cc1nnc(C2CC2)[nH]1)NCc1ccc(N2CCCCC2)cc1 ZINC001570581874 1086381350 /nfs/dbraw/zinc/38/13/50/1086381350.db2.gz MBLCTZMJZNLBLF-UHFFFAOYSA-N 0 0 339.443 2.531 10 10 EFCERN CC[C@H](C)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC ZINC001570699230 1086466145 /nfs/dbraw/zinc/46/61/45/1086466145.db2.gz QFFUZQDDXOJXFT-GWCFXTLKSA-N 0 0 334.376 2.557 10 10 EFCERN CC[C@H](C)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC ZINC001570699231 1086466630 /nfs/dbraw/zinc/46/66/30/1086466630.db2.gz QFFUZQDDXOJXFT-GXFFZTMASA-N 0 0 334.376 2.557 10 10 EFCERN CCC(=O)N[C@@H](C)CCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572722098 1087618918 /nfs/dbraw/zinc/61/89/18/1087618918.db2.gz DGBLTSJFQKTIBM-LBPRGKRZSA-N 0 0 347.419 2.664 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1c(O)cccc1O ZINC001647268697 1089186817 /nfs/dbraw/zinc/18/68/17/1089186817.db2.gz AZQHDHNBSLLGDM-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN O=C(COc1ccccc1C(F)(F)F)NCc1c(O)cccc1O ZINC001647270686 1089188174 /nfs/dbraw/zinc/18/81/74/1089188174.db2.gz XGSIUIJOFSYSOI-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC2CCCC2)nc1 ZINC001647270682 1089188378 /nfs/dbraw/zinc/18/83/78/1089188378.db2.gz XAPKXFWTFSMKGR-UHFFFAOYSA-N 0 0 328.368 2.744 10 10 EFCERN O=C(CCNC(=O)c1ccco1)NCc1c(O)ccc2ccccc21 ZINC001647788646 1089878652 /nfs/dbraw/zinc/87/86/52/1089878652.db2.gz MPQQNLOXZJEQIF-UHFFFAOYSA-N 0 0 338.363 2.575 10 10 EFCERN C[C@]1(CCC(=O)NCc2c(O)ccc3ccccc32)CCC(=O)N1 ZINC001647791360 1089879564 /nfs/dbraw/zinc/87/95/64/1089879564.db2.gz OWKVIOJCEKUBST-IBGZPJMESA-N 0 0 326.396 2.611 10 10 EFCERN C[C@@]1(CCC(=O)NCc2c(O)ccc3ccccc32)CCC(=O)N1 ZINC001647791361 1089880428 /nfs/dbraw/zinc/88/04/28/1089880428.db2.gz OWKVIOJCEKUBST-LJQANCHMSA-N 0 0 326.396 2.611 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccn(CC(F)F)n1 ZINC001647792007 1089880518 /nfs/dbraw/zinc/88/05/18/1089880518.db2.gz ZREVMNJANMRUEW-UHFFFAOYSA-N 0 0 331.322 2.937 10 10 EFCERN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1cccc(O)c1O ZINC001648032138 1089931095 /nfs/dbraw/zinc/93/10/95/1089931095.db2.gz VUTRCCCJSQRZFZ-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN CC[C@H](CNC(=O)C(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001582556284 1091543832 /nfs/dbraw/zinc/54/38/32/1091543832.db2.gz NFHXUGFJHJQYCH-GFCCVEGCSA-N 0 0 347.419 2.520 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC001583676732 1092057264 /nfs/dbraw/zinc/05/72/64/1092057264.db2.gz PIFQCKUNUXYJHS-HZPDHXFCSA-N 0 0 339.439 2.899 10 10 EFCERN CC(C)n1ccnc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001583677302 1092057497 /nfs/dbraw/zinc/05/74/97/1092057497.db2.gz YXFWHSKQQGSPPU-OAHLLOKOSA-N 0 0 342.443 2.792 10 10 EFCERN C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001583676061 1092057679 /nfs/dbraw/zinc/05/76/79/1092057679.db2.gz DZGRANRTSGABNC-VDZJLULYSA-N 0 0 346.471 2.642 10 10 EFCERN CN(C)C(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001583816873 1092072139 /nfs/dbraw/zinc/07/21/39/1092072139.db2.gz MZJLFDYUQHWBOC-UHFFFAOYSA-N 0 0 332.787 2.677 10 10 EFCERN COc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(OC)c1O ZINC001583821311 1092074072 /nfs/dbraw/zinc/07/40/72/1092074072.db2.gz YLQKKAJWTHWMME-UHFFFAOYSA-N 0 0 337.759 2.698 10 10 EFCERN Cc1[nH]nc(Br)c1C(=O)NCc1cccc(Cl)c1O ZINC001648609164 1092239425 /nfs/dbraw/zinc/23/94/25/1092239425.db2.gz SFTOEJZJFZEOBH-UHFFFAOYSA-N 0 0 344.596 2.770 10 10 EFCERN COC(=O)c1cccc2c1CCN2C(=O)/C=C/c1cnc(C)s1 ZINC001585233981 1092413829 /nfs/dbraw/zinc/41/38/29/1092413829.db2.gz CDEHBDXQGCGASG-VOTSOKGWSA-N 0 0 328.393 2.841 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COc2ccc(C)cc2)cc1 ZINC001585443723 1092485963 /nfs/dbraw/zinc/48/59/63/1092485963.db2.gz DKCMEHHAHCFBJA-UHFFFAOYSA-N 0 0 342.439 2.977 10 10 EFCERN CCc1nc2c(nccc2C(=O)NCc2ccc(N(C)C)cc2C)[nH]1 ZINC001585786709 1092571941 /nfs/dbraw/zinc/57/19/41/1092571941.db2.gz GMBXSXARGSQVJW-UHFFFAOYSA-N 0 0 337.427 2.825 10 10 EFCERN CCC[C@@H](Cn1c(CC)nnc1N(C)Cc1ccccc1O)OC ZINC001649639993 1092580241 /nfs/dbraw/zinc/58/02/41/1092580241.db2.gz HJERPNGOTOWOEL-HNNXBMFYSA-N 0 0 332.448 2.998 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC000843606918 1092660398 /nfs/dbraw/zinc/66/03/98/1092660398.db2.gz NHSLSFDBHJCGQK-CQSZACIVSA-N 0 0 326.444 2.565 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccco2)cc1 ZINC001586212893 1092711689 /nfs/dbraw/zinc/71/16/89/1092711689.db2.gz JOHQUIPXTDNPQY-CYBMUJFWSA-N 0 0 328.328 2.656 10 10 EFCERN Cn1nc(C(F)(F)F)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001586677582 1092750654 /nfs/dbraw/zinc/75/06/54/1092750654.db2.gz WTGSSNSIQYTJEY-UHFFFAOYSA-N 0 0 345.668 2.881 10 10 EFCERN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001587250869 1092794309 /nfs/dbraw/zinc/79/43/09/1092794309.db2.gz GCHNHJIROKFSGN-UHFFFAOYSA-N 0 0 340.339 2.850 10 10 EFCERN C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1O)C(N)=O ZINC001587450973 1092813010 /nfs/dbraw/zinc/81/30/10/1092813010.db2.gz CKBYTNPDMMJPHT-NWDGAFQWSA-N 0 0 344.436 2.849 10 10 EFCERN Cc1ccn(C)c(=O)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001587502339 1092817459 /nfs/dbraw/zinc/81/74/59/1092817459.db2.gz HVHZBVFSBYASCI-UHFFFAOYSA-N 0 0 330.365 2.572 10 10 EFCERN CCOC(=O)[C@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587551867 1092820922 /nfs/dbraw/zinc/82/09/22/1092820922.db2.gz GQOBFSHLEFGGPN-QGZVFWFLSA-N 0 0 332.444 2.835 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2CCCCC2=O)c1 ZINC001587737517 1092846775 /nfs/dbraw/zinc/84/67/75/1092846775.db2.gz FWWTYHJAMGNUNL-UHFFFAOYSA-N 0 0 340.379 2.796 10 10 EFCERN C[C@@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708089173 1092972095 /nfs/dbraw/zinc/97/20/95/1092972095.db2.gz KKBNKKQOCHHGTL-KCJUWKMLSA-N 0 0 333.657 2.977 10 10 EFCERN C[C@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708089169 1092972043 /nfs/dbraw/zinc/97/20/43/1092972043.db2.gz KKBNKKQOCHHGTL-GZMMTYOYSA-N 0 0 333.657 2.977 10 10 EFCERN Oc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1 ZINC001650697209 1093485027 /nfs/dbraw/zinc/48/50/27/1093485027.db2.gz LVOJYQYMEPZTOV-UHFFFAOYSA-N 0 0 332.367 2.587 10 10 EFCERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001650913064 1093507582 /nfs/dbraw/zinc/50/75/82/1093507582.db2.gz YLONSYSKWIEEDK-JDNHERCYSA-N 0 0 337.322 2.882 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(-c2cncnc2)cc1F ZINC001651175543 1093534983 /nfs/dbraw/zinc/53/49/83/1093534983.db2.gz BTIQTNGWESLTQA-UHFFFAOYSA-N 0 0 339.326 2.624 10 10 EFCERN O=C(NCc1cccc(O)c1O)C1=C(c2ccccc2)SCCO1 ZINC001651175757 1093535483 /nfs/dbraw/zinc/53/54/83/1093535483.db2.gz LQYGYDLTIHQXLT-UHFFFAOYSA-N 0 0 343.404 2.846 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(Br)c(O)c1 ZINC001651240188 1093543477 /nfs/dbraw/zinc/54/34/77/1093543477.db2.gz SOBIJPWJSJVFGD-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(OC(F)F)c(F)c1 ZINC001593738948 1094410183 /nfs/dbraw/zinc/41/01/83/1094410183.db2.gz CHRLXISNGUEWFP-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN Cc1cc(F)ccc1-n1ccc(C(=O)NCc2cc(O)ccc2O)n1 ZINC001593872696 1094412052 /nfs/dbraw/zinc/41/20/52/1094412052.db2.gz AYZCFOWSLLIHEU-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1nc2ccccc2nc1C1CC1 ZINC001593872731 1094412165 /nfs/dbraw/zinc/41/21/65/1094412165.db2.gz BUCCFHXDXCCZRV-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN CCCC[C@@H](O)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001594799927 1094439946 /nfs/dbraw/zinc/43/99/46/1094439946.db2.gz PAMAHMJXBJHZAP-QGZVFWFLSA-N 0 0 334.460 2.675 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1C(F)(F)F ZINC001595104145 1094453662 /nfs/dbraw/zinc/45/36/62/1094453662.db2.gz RBCCAOKZDKMRRT-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC001595493836 1094474309 /nfs/dbraw/zinc/47/43/09/1094474309.db2.gz LEUKNXHEUBDENI-CJNGLKHVSA-N 0 0 348.428 2.634 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2c[nH]c3ccccc32)n[nH]1 ZINC001595596040 1094478689 /nfs/dbraw/zinc/47/86/89/1094478689.db2.gz OZYGWHXLPADCSK-UHFFFAOYSA-N 0 0 348.362 2.899 10 10 EFCERN Nc1c(Cl)ccc(C(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC001595752484 1094490955 /nfs/dbraw/zinc/49/09/55/1094490955.db2.gz QKECCQPYTOQNEO-UHFFFAOYSA-N 0 0 341.194 2.959 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cn3ccnc23)c1 ZINC001595806197 1094495558 /nfs/dbraw/zinc/49/55/58/1094495558.db2.gz BYDIPEBOJALEJE-LBPRGKRZSA-N 0 0 325.368 2.848 10 10 EFCERN COc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)c1O ZINC001595799959 1094495677 /nfs/dbraw/zinc/49/56/77/1094495677.db2.gz LMALLESMKYEJQJ-UHFFFAOYSA-N 0 0 341.342 2.656 10 10 EFCERN COc1cccc(CNC(=O)C(F)(F)c2ccccc2OC)c1O ZINC001595799952 1094495679 /nfs/dbraw/zinc/49/56/79/1094495679.db2.gz LFYQDLNTYUVQME-UHFFFAOYSA-N 0 0 337.322 2.818 10 10 EFCERN COc1cccc(CNC(=O)c2oc3ccccc3c2CO)c1O ZINC001595799749 1094495868 /nfs/dbraw/zinc/49/58/68/1094495868.db2.gz GYKSQZPMACXCJP-UHFFFAOYSA-N 0 0 327.336 2.569 10 10 EFCERN C[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(F)c1 ZINC001596686888 1094541965 /nfs/dbraw/zinc/54/19/65/1094541965.db2.gz HCHIERMIKAPXNK-QGZVFWFLSA-N 0 0 344.346 2.626 10 10 EFCERN COc1ccc(C(C)=O)cc1CC(=O)NCc1c(O)cccc1F ZINC001596906555 1094552177 /nfs/dbraw/zinc/55/21/77/1094552177.db2.gz GEZUHHIBXDLFAX-UHFFFAOYSA-N 0 0 331.343 2.601 10 10 EFCERN Cn1cc(-c2cccc(C(=O)NCc3c(O)cccc3F)c2)cn1 ZINC001596913418 1094553096 /nfs/dbraw/zinc/55/30/96/1094553096.db2.gz XQECCRQHBCATDL-UHFFFAOYSA-N 0 0 325.343 2.862 10 10 EFCERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1c(O)cccc1F ZINC001596917202 1094553499 /nfs/dbraw/zinc/55/34/99/1094553499.db2.gz ZCKMTZFWGAOTKS-UHFFFAOYSA-N 0 0 334.294 2.866 10 10 EFCERN O=C(NCc1ccc(F)nc1Br)C1=CC(=O)CS1 ZINC001597298158 1094578344 /nfs/dbraw/zinc/57/83/44/1094578344.db2.gz JFVBEVHQDHFVBS-UHFFFAOYSA-N 0 0 331.166 2.680 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(F)c1Br ZINC001597574828 1094600807 /nfs/dbraw/zinc/60/08/07/1094600807.db2.gz UFEONDCIOZFPAL-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1csc(Nc2ccccn2)n1 ZINC001597573783 1094603023 /nfs/dbraw/zinc/60/30/23/1094603023.db2.gz GKPFFFLJXGVPIE-UHFFFAOYSA-N 0 0 342.380 2.623 10 10 EFCERN C[C@@H](NC(=O)c1cccc(O)c1F)c1ccc(N2CCOCC2)cc1 ZINC001597916044 1094639862 /nfs/dbraw/zinc/63/98/62/1094639862.db2.gz XVVWIOKSKBHKJY-CYBMUJFWSA-N 0 0 344.386 2.859 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)c3ccnc(C)c3)CC2)cc1C ZINC001269509313 1098203373 /nfs/dbraw/zinc/20/33/73/1098203373.db2.gz YTWNBGCVJQXOAI-UHFFFAOYSA-N 0 0 339.439 2.759 10 10 EFCERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1noc(-c2ccccc2)n1 ZINC001611042871 1098973225 /nfs/dbraw/zinc/97/32/25/1098973225.db2.gz JIPGHWBDBZVWBH-VIFPVBQESA-N 0 0 343.314 2.778 10 10 EFCERN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001611090735 1098979296 /nfs/dbraw/zinc/97/92/96/1098979296.db2.gz WIRFJJXXLKPNOZ-XXFAHNHDSA-N 0 0 337.322 2.882 10 10 EFCERN Cc1noc(-c2ccc(CNC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC001611147171 1098984603 /nfs/dbraw/zinc/98/46/03/1098984603.db2.gz QRZTXSMJOMYHEH-UHFFFAOYSA-N 0 0 339.351 2.695 10 10 EFCERN Cn1cc(C(=O)Nc2ccc(OC(=O)C3=CC(=O)CS3)cc2)cn1 ZINC001611281091 1098996456 /nfs/dbraw/zinc/99/64/56/1098996456.db2.gz QJXVLNMMUBBSCW-UHFFFAOYSA-N 0 0 343.364 2.659 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1c[nH]ccc1=O ZINC001611567472 1099021515 /nfs/dbraw/zinc/02/15/15/1099021515.db2.gz DLOLJZHNCSDIJQ-UHFFFAOYSA-N 0 0 335.363 2.847 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001612691488 1099074933 /nfs/dbraw/zinc/07/49/33/1099074933.db2.gz MDPPUFNEIBBRHZ-BRLPQQTGSA-N 0 0 348.399 2.768 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC(O)(CC)CC ZINC001613923391 1099112276 /nfs/dbraw/zinc/11/22/76/1099112276.db2.gz PJMPAKDQKDRRQF-UHFFFAOYSA-N 0 0 332.448 2.734 10 10 EFCERN COc1ccc(N(CCNC(=O)C2CC2)Cc2ccco2)cc1F ZINC001615887194 1099166421 /nfs/dbraw/zinc/16/64/21/1099166421.db2.gz OOLVJFQREXIAJU-UHFFFAOYSA-N 0 0 332.375 2.960 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3ccccc3OC2)cc1 ZINC001617771161 1099259200 /nfs/dbraw/zinc/25/92/00/1099259200.db2.gz LYWKMMBCGREQQU-OAHLLOKOSA-N 0 0 338.367 2.973 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(P(C)(C)=O)cc2)c(O)c1 ZINC001617763189 1099259394 /nfs/dbraw/zinc/25/93/94/1099259394.db2.gz PPHISPDEOPJWSF-UHFFFAOYSA-N 0 0 333.324 2.579 10 10 EFCERN COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001618226219 1099286775 /nfs/dbraw/zinc/28/67/75/1099286775.db2.gz AYFHQMPITXGRAO-CQSZACIVSA-N 0 0 335.787 2.798 10 10 EFCERN COc1ccc(C[C@@H]2CCN2C(=O)c2ccc(C)c(O)c2O)cc1 ZINC001621979928 1099465899 /nfs/dbraw/zinc/46/58/99/1099465899.db2.gz GEONMDBSOGSNSA-AWEZNQCLSA-N 0 0 327.380 2.872 10 10 EFCERN Nc1c(Cl)c(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001622753272 1099541002 /nfs/dbraw/zinc/54/10/02/1099541002.db2.gz OSVHOLMADFXKIG-UHFFFAOYSA-N 0 0 341.194 2.959 10 10 EFCERN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC001622772918 1099543283 /nfs/dbraw/zinc/54/32/83/1099543283.db2.gz NUWBZPMTJSGNIM-QGZVFWFLSA-N 0 0 338.407 2.622 10 10 EFCERN COc1cccc(CNC(=O)c2c(C(F)F)nc3ccccn32)c1O ZINC001622780004 1099543402 /nfs/dbraw/zinc/54/34/02/1099543402.db2.gz ZUDIIPSZCTYDLZ-UHFFFAOYSA-N 0 0 347.321 2.916 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC001623213300 1099566351 /nfs/dbraw/zinc/56/63/51/1099566351.db2.gz NDWJZSMHXWNKCA-NVXWUHKLSA-N 0 0 341.407 2.924 10 10 EFCERN O=C(C[C@H]1CCCC[C@@H]1O)NCc1cccc(Br)c1O ZINC001623365123 1099580861 /nfs/dbraw/zinc/58/08/61/1099580861.db2.gz XLOOHGKCPKYASA-MFKMUULPSA-N 0 0 342.233 2.712 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)Cc3ncc(C)s3)CC2)cc1 ZINC001623429853 1099586658 /nfs/dbraw/zinc/58/66/58/1099586658.db2.gz POPNLGMBXSIWNI-UHFFFAOYSA-N 0 0 345.468 2.742 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001623429609 1099587312 /nfs/dbraw/zinc/58/73/12/1099587312.db2.gz JJKZAISTIZNJRK-QFBILLFUSA-N 0 0 346.471 2.675 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001623574776 1099603542 /nfs/dbraw/zinc/60/35/42/1099603542.db2.gz ZMCWTYNEHZSKNB-UHFFFAOYSA-N 0 0 343.383 2.593 10 10 EFCERN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Cc1ccc(O)c(O)c1 ZINC001624286931 1099678533 /nfs/dbraw/zinc/67/85/33/1099678533.db2.gz RIDAFACJISYDAD-GFCCVEGCSA-N 0 0 343.379 2.507 10 10 EFCERN CC[C@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001624502262 1099699759 /nfs/dbraw/zinc/69/97/59/1099699759.db2.gz JHDMMDUZFFRDCU-ZBEGNZNMSA-N 0 0 337.416 2.513 10 10 EFCERN CC[C@H](C)NC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC001624704945 1099720781 /nfs/dbraw/zinc/72/07/81/1099720781.db2.gz CHSQXDHQFHSIJO-NSHDSACASA-N 0 0 332.425 2.912 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001624955152 1099753813 /nfs/dbraw/zinc/75/38/13/1099753813.db2.gz SPKNNXBBCNTXMU-NSHDSACASA-N 0 0 338.363 2.713 10 10 EFCERN Cc1c(F)ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1N ZINC001625273252 1099789449 /nfs/dbraw/zinc/78/94/49/1099789449.db2.gz HYRNANVHOOGBPQ-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN Cc1c(NC(=O)c2cc3cc(O)c(O)cc3s2)cccc1C(N)=O ZINC001625420237 1099807606 /nfs/dbraw/zinc/80/76/06/1099807606.db2.gz JPKDQAXHYWXEAV-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(N(C)C)cc1 ZINC001625544374 1099825228 /nfs/dbraw/zinc/82/52/28/1099825228.db2.gz SUEKSGZKFRNJPL-LLVKDONJSA-N 0 0 328.372 2.734 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1OCCc2sccc21 ZINC001625668642 1099837785 /nfs/dbraw/zinc/83/77/85/1099837785.db2.gz OTOJWJSDTRMFSQ-QGHHPUGFSA-N 0 0 333.409 2.521 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001626723064 1099910274 /nfs/dbraw/zinc/91/02/74/1099910274.db2.gz RQNDGUOWSIWOFM-ZHDRDSPKSA-N 0 0 346.471 2.816 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCCc1nc2c(s1)CCCC2 ZINC001626752794 1099913483 /nfs/dbraw/zinc/91/34/83/1099913483.db2.gz VBRJAXAFHLZKOJ-UHFFFAOYSA-N 0 0 346.452 2.725 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccnn3CC3CCC3)ccc21 ZINC001626940711 1099939046 /nfs/dbraw/zinc/93/90/46/1099939046.db2.gz MYGYUQIOCMNTJM-UHFFFAOYSA-N 0 0 338.455 2.996 10 10 EFCERN C[C@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N2CCOCC2)cc1 ZINC001626978591 1099943388 /nfs/dbraw/zinc/94/33/88/1099943388.db2.gz VTHZGRBHBRDRON-ZDUSSCGKSA-N 0 0 344.386 2.859 10 10 EFCERN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(C(F)F)n1 ZINC001627072936 1099953998 /nfs/dbraw/zinc/95/39/98/1099953998.db2.gz IMCNVFIOELEIBQ-UHFFFAOYSA-N 0 0 332.310 2.542 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c2nc[nH]c2ccc1F ZINC001627073877 1099955338 /nfs/dbraw/zinc/95/53/38/1099955338.db2.gz ZAIXDSYCCDPIIK-UHFFFAOYSA-N 0 0 336.326 2.886 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001627575628 1100010854 /nfs/dbraw/zinc/01/08/54/1100010854.db2.gz YJHJFMXGVVRVQQ-QGZVFWFLSA-N 0 0 347.798 2.894 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001627689617 1100021817 /nfs/dbraw/zinc/02/18/17/1100021817.db2.gz OSQKPHZEMSCTDL-UHFFFAOYSA-N 0 0 341.436 2.894 10 10 EFCERN CC(C)N(C)C(=O)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001627819100 1100036066 /nfs/dbraw/zinc/03/60/66/1100036066.db2.gz YDZMBSMXOTUVGM-UHFFFAOYSA-N 0 0 342.395 2.759 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 ZINC001628174530 1100071205 /nfs/dbraw/zinc/07/12/05/1100071205.db2.gz GHRYBCBCSFUOQV-AWEZNQCLSA-N 0 0 326.360 2.523 10 10 EFCERN COc1ccc2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CCO2 ZINC001628169602 1100071817 /nfs/dbraw/zinc/07/18/17/1100071817.db2.gz IHMWJVPCQWTZTH-XVNBXDOJSA-N 0 0 341.363 2.541 10 10 EFCERN Cc1cccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001628667871 1100122428 /nfs/dbraw/zinc/12/24/28/1100122428.db2.gz BXBOLLNTKIJJKB-UHFFFAOYSA-N 0 0 326.356 2.966 10 10 EFCERN Cc1ccc(F)c(N)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001628727026 1100127397 /nfs/dbraw/zinc/12/73/97/1100127397.db2.gz KDCUUPLIZCTTID-UHFFFAOYSA-N 0 0 329.375 2.822 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C2CCCCC2)no1 ZINC001628848336 1100141446 /nfs/dbraw/zinc/14/14/46/1100141446.db2.gz PVMKDAZMSYHUAR-NSHDSACASA-N 0 0 345.399 2.948 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nncn2c1 ZINC001628951445 1100151910 /nfs/dbraw/zinc/15/19/10/1100151910.db2.gz XYVZNXMTHZYEFV-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC001629177067 1100176404 /nfs/dbraw/zinc/17/64/04/1100176404.db2.gz XHOLQFLTBWGRJQ-CYBMUJFWSA-N 0 0 346.778 2.786 10 10 EFCERN COCCc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2o1 ZINC001629355367 1100201556 /nfs/dbraw/zinc/20/15/56/1100201556.db2.gz LFQGCUZHYJMAFA-UHFFFAOYSA-N 0 0 342.351 2.609 10 10 EFCERN COC(=O)N(C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001629484959 1100216471 /nfs/dbraw/zinc/21/64/71/1100216471.db2.gz JQTWATDXVVRMOC-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN CC1(C)CCC[C@@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001629638886 1100230206 /nfs/dbraw/zinc/23/02/06/1100230206.db2.gz SGDCFUATXYIWML-QGZVFWFLSA-N 0 0 332.404 2.910 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1Br ZINC001629685390 1100236756 /nfs/dbraw/zinc/23/67/56/1100236756.db2.gz HIROOIAWSIPHEU-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN CCOC(=O)[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001629740488 1100241910 /nfs/dbraw/zinc/24/19/10/1100241910.db2.gz IIWDSJWOQLPKMD-KRWDZBQOSA-N 0 0 327.380 2.664 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnc3c(C)cc(F)cc3c2O)c1 ZINC001629736619 1100241934 /nfs/dbraw/zinc/24/19/34/1100241934.db2.gz JHCYCEDTBRZYQQ-UHFFFAOYSA-N 0 0 340.354 2.920 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCN1CC ZINC001629971833 1100263843 /nfs/dbraw/zinc/26/38/43/1100263843.db2.gz JIBLTXBMYUZUBK-CYBMUJFWSA-N 0 0 341.249 2.597 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001629954752 1100262892 /nfs/dbraw/zinc/26/28/92/1100262892.db2.gz BMBAHXUUPFCKRZ-UHFFFAOYSA-N 0 0 326.274 2.784 10 10 EFCERN CNc1ncccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001630180625 1100283165 /nfs/dbraw/zinc/28/31/65/1100283165.db2.gz OSCSGFJXLXIHMW-CQSZACIVSA-N 0 0 326.444 2.859 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1csc(Nc2ccccn2)n1 ZINC001630301505 1100291542 /nfs/dbraw/zinc/29/15/42/1100291542.db2.gz CSQQBYMVZRNACX-UHFFFAOYSA-N 0 0 342.380 2.623 10 10 EFCERN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)n1 ZINC001630302272 1100292136 /nfs/dbraw/zinc/29/21/36/1100292136.db2.gz WAMCESISOOKLMF-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(O)cc1O ZINC001630302266 1100292299 /nfs/dbraw/zinc/29/22/99/1100292299.db2.gz VYALZBJRNUNZEB-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3cc(C)ccc3n2)c1 ZINC001630365860 1100298515 /nfs/dbraw/zinc/29/85/15/1100298515.db2.gz GIALJXZQDHWBKX-GFCCVEGCSA-N 0 0 325.368 2.848 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1nc2cnccc2s1 ZINC001630532090 1100315852 /nfs/dbraw/zinc/31/58/52/1100315852.db2.gz GVXSVXNXRRMTFR-UHFFFAOYSA-N 0 0 336.376 2.875 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2Cn2cncn2)cc1 ZINC001630799682 1100341002 /nfs/dbraw/zinc/34/10/02/1100341002.db2.gz ISHQGWMGVKUQLI-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631062365 1100366071 /nfs/dbraw/zinc/36/60/71/1100366071.db2.gz RKWLAEWJKVFSET-AWEZNQCLSA-N 0 0 342.403 2.890 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001631093559 1100369051 /nfs/dbraw/zinc/36/90/51/1100369051.db2.gz MCMPJHBGOSYOIQ-FTPZRKARSA-N 0 0 325.364 2.833 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001631151147 1100374571 /nfs/dbraw/zinc/37/45/71/1100374571.db2.gz CCFRIPSUVQUQNU-CQSZACIVSA-N 0 0 342.370 2.543 10 10 EFCERN O=C(N[C@H](CO)c1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001631419485 1100397250 /nfs/dbraw/zinc/39/72/50/1100397250.db2.gz RPLOITKCDRSUHI-GFCCVEGCSA-N 0 0 347.367 2.915 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc2ccc(O)cc2c1O ZINC001631517068 1100406536 /nfs/dbraw/zinc/40/65/36/1100406536.db2.gz VEJJBMMDAPHEDF-UHFFFAOYSA-N 0 0 339.347 2.635 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(Cl)ccc1-n1cncn1 ZINC001631539640 1100408322 /nfs/dbraw/zinc/40/83/22/1100408322.db2.gz ACLPSXXAMONFGO-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1-c1ccc(F)cc1 ZINC001632410968 1100473425 /nfs/dbraw/zinc/47/34/25/1100473425.db2.gz WLKNWIDPJIUAES-UHFFFAOYSA-N 0 0 327.315 2.604 10 10 EFCERN COc1ccc(C2(CNC(=O)Cc3ccc(O)c(O)c3)CCC2)cc1 ZINC001632495499 1100478173 /nfs/dbraw/zinc/47/81/73/1100478173.db2.gz UBYZEANZGZNYBD-UHFFFAOYSA-N 0 0 341.407 2.887 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC001632643018 1100490868 /nfs/dbraw/zinc/49/08/68/1100490868.db2.gz WHLQVDXBIULEMJ-OAHLLOKOSA-N 0 0 327.380 2.568 10 10 EFCERN O=C(NCCCSc1nccs1)c1nnc(-c2ccco2)o1 ZINC001632806906 1100501892 /nfs/dbraw/zinc/50/18/92/1100501892.db2.gz GIMCFSBQFQUBEO-UHFFFAOYSA-N 0 0 336.398 2.698 10 10 EFCERN CCc1[nH]c(=O)c(C(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC001633347426 1100538370 /nfs/dbraw/zinc/53/83/70/1100538370.db2.gz UBKURGUJZDQEQW-UHFFFAOYSA-N 0 0 327.428 2.962 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccccc2Cl)n1 ZINC001633595133 1100552652 /nfs/dbraw/zinc/55/26/52/1100552652.db2.gz JKEQZAKIXAYYMP-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN CCOc1ccccc1C(F)(F)C(=O)NCc1cc(O)ccc1O ZINC001633595036 1100552687 /nfs/dbraw/zinc/55/26/87/1100552687.db2.gz FSEMLPQJRDQSEF-UHFFFAOYSA-N 0 0 337.322 2.905 10 10 EFCERN C[C@@H](C(=O)NCc1cc(O)ccc1O)[C@@H]1OCCc2sccc21 ZINC001633599244 1100553733 /nfs/dbraw/zinc/55/37/33/1100553733.db2.gz UUFHTUMFLMHZIT-HWPZZCPQSA-N 0 0 333.409 2.726 10 10 EFCERN C/C=C/COc1cccc(CC(=O)NCc2cc(O)ccc2O)c1 ZINC001633599374 1100553869 /nfs/dbraw/zinc/55/38/69/1100553869.db2.gz YWFSSXQSDKPZCE-NSCUHMNNSA-N 0 0 327.380 2.912 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)cc1 ZINC001633925966 1100574249 /nfs/dbraw/zinc/57/42/49/1100574249.db2.gz VAHWLKZNIVIBRO-INIZCTEOSA-N 0 0 338.367 2.720 10 10 EFCERN Cc1cnc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)s1 ZINC001634047560 1100581542 /nfs/dbraw/zinc/58/15/42/1100581542.db2.gz FQMMHKAHHKQDBR-UHFFFAOYSA-N 0 0 332.425 2.811 10 10 EFCERN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1N1CCOC1=O ZINC001634513030 1100613132 /nfs/dbraw/zinc/61/31/32/1100613132.db2.gz UNDVPWJDCZHNHG-UHFFFAOYSA-N 0 0 342.351 2.544 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3[nH]ccc(=O)c3c2)cc1 ZINC001634718524 1100626279 /nfs/dbraw/zinc/62/62/79/1100626279.db2.gz SGRIBLNDRDWWIR-UHFFFAOYSA-N 0 0 335.323 2.943 10 10 EFCERN Cc1cc(CNC(=O)c2ccc3n[nH]nc3n2)c(C)n1-c1ccccc1 ZINC001635331494 1100655055 /nfs/dbraw/zinc/65/50/55/1100655055.db2.gz SBPHIIHGOWWILL-UHFFFAOYSA-N 0 0 346.394 2.690 10 10 EFCERN Cc1cc(CNC(=O)[C@@H]2CCCC(=O)N2C)c(C)n1-c1ccccc1 ZINC001635330731 1100655069 /nfs/dbraw/zinc/65/50/69/1100655069.db2.gz FWIHIEBRMVJOKF-SFHVURJKSA-N 0 0 339.439 2.721 10 10 EFCERN O=C(Cc1csc(-c2ccccn2)n1)NCc1c(O)cccc1F ZINC001635360691 1100656604 /nfs/dbraw/zinc/65/66/04/1100656604.db2.gz QGVFARPDINTETF-UHFFFAOYSA-N 0 0 343.383 2.909 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1ccc(Br)[nH]c1=O ZINC001635658428 1100672610 /nfs/dbraw/zinc/67/26/10/1100672610.db2.gz VOZLNKAFVRASNI-UHFFFAOYSA-N 0 0 337.173 2.528 10 10 EFCERN CCCOc1ccnc(CC(=O)N(CCC)Cc2ccccc2O)n1 ZINC001635663074 1100673592 /nfs/dbraw/zinc/67/35/92/1100673592.db2.gz KTLVVLFQRABLBN-UHFFFAOYSA-N 0 0 343.427 2.952 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccccc2Cl)n1 ZINC001635847703 1100683681 /nfs/dbraw/zinc/68/36/81/1100683681.db2.gz SBAUSZQFLWPBHG-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2cccc(F)c2)CCOCC1 ZINC001635843507 1100683904 /nfs/dbraw/zinc/68/39/04/1100683904.db2.gz VITHGGCGGRLHIG-UHFFFAOYSA-N 0 0 345.370 2.602 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(F)ccc3N)CC2)cc1F ZINC001635891048 1100685866 /nfs/dbraw/zinc/68/58/66/1100685866.db2.gz RWGVFLCDJNXAGG-UHFFFAOYSA-N 0 0 347.365 2.518 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2csnn2)cc1 ZINC001635960023 1100689455 /nfs/dbraw/zinc/68/94/55/1100689455.db2.gz UJWNFVIUCBFFGA-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Nc1nc(Cl)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001635959697 1100689537 /nfs/dbraw/zinc/68/95/37/1100689537.db2.gz NFPCDPCHEAUQKH-UHFFFAOYSA-N 0 0 331.803 2.832 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cccc2[nH]c(C(F)F)nc21 ZINC001635959646 1100689572 /nfs/dbraw/zinc/68/95/72/1100689572.db2.gz LTGPISJDPMTTCC-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1noc2ccc(F)cc12 ZINC001635948376 1100689855 /nfs/dbraw/zinc/68/98/55/1100689855.db2.gz AFZFHIBLRZGYLK-KXFIGUGUSA-N 0 0 328.299 2.708 10 10 EFCERN NC(=O)c1ccc(/C=C/C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001635968949 1100690441 /nfs/dbraw/zinc/69/04/41/1100690441.db2.gz KCNYYPQYWKBVFM-JXMROGBWSA-N 0 0 336.347 2.567 10 10 EFCERN Cn1ccnc1[C@@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC001635982648 1100691154 /nfs/dbraw/zinc/69/11/54/1100691154.db2.gz MKXTXZYIUIUIRU-ZDUSSCGKSA-N 0 0 340.387 2.806 10 10 EFCERN COc1cccc2c(C(=O)NCCc3ccc(O)c(O)c3)coc21 ZINC001636022315 1100694448 /nfs/dbraw/zinc/69/44/48/1100694448.db2.gz IJOWKJFLJBOVPY-UHFFFAOYSA-N 0 0 327.336 2.825 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3ncn(C)c32)c1 ZINC001636061292 1100697132 /nfs/dbraw/zinc/69/71/32/1100697132.db2.gz MGGLXUFNRPRCNS-LLVKDONJSA-N 0 0 325.368 2.779 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3nsnc32)c1 ZINC001636061269 1100697220 /nfs/dbraw/zinc/69/72/20/1100697220.db2.gz LLSKOKUQGGLCJN-SECBINFHSA-N 0 0 329.381 2.897 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncnc3ccsc32)c1 ZINC001636061523 1100697394 /nfs/dbraw/zinc/69/73/94/1100697394.db2.gz PUWUTCRDWUWFIU-VIFPVBQESA-N 0 0 329.381 2.897 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(F)c(F)c2)c1 ZINC001636061167 1100697483 /nfs/dbraw/zinc/69/74/83/1100697483.db2.gz HUBMDDLUCVYAOX-SNVBAGLBSA-N 0 0 337.322 2.935 10 10 EFCERN CC1(C)COc2ccc(NC(=O)c3cccc(O)c3O)cc2NC1=O ZINC001636088802 1100699855 /nfs/dbraw/zinc/69/98/55/1100699855.db2.gz PGKKNDMHVGBEKS-UHFFFAOYSA-N 0 0 342.351 2.707 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001636678025 1100732299 /nfs/dbraw/zinc/73/22/99/1100732299.db2.gz ZTBGUJJTDNBLDW-UGAXZCSASA-N 0 0 349.390 2.865 10 10 EFCERN O=C(NCCOc1ccc(Cl)c(F)c1)c1cccc(O)c1O ZINC001636753793 1100735762 /nfs/dbraw/zinc/73/57/62/1100735762.db2.gz DAJSBCLZYMDGPK-UHFFFAOYSA-N 0 0 325.723 2.699 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC001636853913 1100741595 /nfs/dbraw/zinc/74/15/95/1100741595.db2.gz NQJVWAPGAUKWFP-IIDMSEBBSA-N 0 0 329.444 2.858 10 10 EFCERN O=Cc1cncc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001637108770 1100757532 /nfs/dbraw/zinc/75/75/32/1100757532.db2.gz WLDJDVIQNRAIMA-UHFFFAOYSA-N 0 0 343.346 2.856 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-n2ccnn2)cc1 ZINC001637226864 1100766355 /nfs/dbraw/zinc/76/63/55/1100766355.db2.gz CMFOIYWUOZUANT-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cn(C)cn1 ZINC001637242686 1100767301 /nfs/dbraw/zinc/76/73/01/1100767301.db2.gz XXQGOQZJYBPPDU-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nonc1C ZINC001637248925 1100767383 /nfs/dbraw/zinc/76/73/83/1100767383.db2.gz PIIHPYZIOPLTRJ-UHFFFAOYSA-N 0 0 338.367 2.528 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cnccn2)ccc1C ZINC001637467804 1100784847 /nfs/dbraw/zinc/78/48/47/1100784847.db2.gz VELMKDQMZFFJIK-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN C[C@H](Cc1c[nH]cn1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273215 1100845781 /nfs/dbraw/zinc/84/57/81/1100845781.db2.gz RUQDBMTWVXLRQQ-CYBMUJFWSA-N 0 0 346.394 2.937 10 10 EFCERN CCOc1cc(C(=O)NCc2ccc(O)cc2O)cc(Cl)c1O ZINC001638351900 1100851463 /nfs/dbraw/zinc/85/14/63/1100851463.db2.gz HPJHTSZAACYWJU-UHFFFAOYSA-N 0 0 337.759 2.786 10 10 EFCERN CCOc1cccc2c1OCC(C(=O)NCc1ccc(O)cc1O)=C2 ZINC001638352706 1100851622 /nfs/dbraw/zinc/85/16/22/1100851622.db2.gz UUSGSQYMNBCDRS-UHFFFAOYSA-N 0 0 341.363 2.589 10 10 EFCERN Cc1nn(CC(F)F)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001638573360 1100870887 /nfs/dbraw/zinc/87/08/87/1100870887.db2.gz SZZPKCULAWPFIU-UHFFFAOYSA-N 0 0 346.337 2.640 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cnc(NC2CC2)s1 ZINC001638573224 1100871129 /nfs/dbraw/zinc/87/11/29/1100871129.db2.gz NTAFNHBSKHRWDY-UHFFFAOYSA-N 0 0 340.408 2.901 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000053458130 1100874082 /nfs/dbraw/zinc/87/40/82/1100874082.db2.gz ADLMVENTTJMYTM-UHFFFAOYSA-N 0 0 343.402 2.866 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1csc(-c2ccccn2)n1 ZINC001638863673 1100892270 /nfs/dbraw/zinc/89/22/70/1100892270.db2.gz PQBICNPPYRQPFT-UHFFFAOYSA-N 0 0 329.356 2.980 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2c(c1)NC(=O)CCS2 ZINC001638858207 1100892391 /nfs/dbraw/zinc/89/23/91/1100892391.db2.gz MBTRGCHRUAHMBM-UHFFFAOYSA-N 0 0 346.383 2.896 10 10 EFCERN COc1ccc(C(=O)C(=O)NCc2c(O)cccc2F)cc1Cl ZINC001638864356 1100892420 /nfs/dbraw/zinc/89/24/20/1100892420.db2.gz XRUXIPXAPDZSFG-UHFFFAOYSA-N 0 0 337.734 2.692 10 10 EFCERN COc1ccc(/C=C/C(=O)NCc2c(O)cccc2F)cc1OC ZINC001638866630 1100892540 /nfs/dbraw/zinc/89/25/40/1100892540.db2.gz HHBSEUYAASATFU-VQHVLOKHSA-N 0 0 331.343 2.878 10 10 EFCERN Cc1cc(CC(=O)Nn2nnc3c2CCCC3)c(C)n1-c1ccccc1 ZINC001639218347 1100925881 /nfs/dbraw/zinc/92/58/81/1100925881.db2.gz AIOUHEZGZFLYSB-UHFFFAOYSA-N 0 0 349.438 2.877 10 10 EFCERN Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1OC(F)(F)F ZINC001639292702 1100935372 /nfs/dbraw/zinc/93/53/72/1100935372.db2.gz NHTGSPSOFTWQTK-UHFFFAOYSA-N 0 0 342.273 2.509 10 10 EFCERN C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384619 1100943577 /nfs/dbraw/zinc/94/35/77/1100943577.db2.gz MVKBYHBLVSYINS-GFCCVEGCSA-N 0 0 338.363 2.573 10 10 EFCERN COc1ccc(S[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001639440969 1100949353 /nfs/dbraw/zinc/94/93/53/1100949353.db2.gz DIPBXJKFZFFRFJ-LLVKDONJSA-N 0 0 333.409 2.903 10 10 EFCERN COc1ccc(CNC(=O)Cn2ccc3ccc(F)cc32)c(O)c1 ZINC001639456014 1100951829 /nfs/dbraw/zinc/95/18/29/1100951829.db2.gz UJTNDWUOCYNSHP-UHFFFAOYSA-N 0 0 328.343 2.811 10 10 EFCERN COc1ccc(CNC(=O)c2cnccc2Nc2ccccc2)c(O)c1 ZINC001639455973 1100951871 /nfs/dbraw/zinc/95/18/71/1100951871.db2.gz RGZFXUIOCRGBLF-UHFFFAOYSA-N 0 0 349.390 2.891 10 10 EFCERN CCCOc1ccnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC001639625542 1100967184 /nfs/dbraw/zinc/96/71/84/1100967184.db2.gz DYHUJAJVDJHUCR-UHFFFAOYSA-N 0 0 346.406 2.740 10 10 EFCERN C[C@](O)(CC(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001639621876 1100967497 /nfs/dbraw/zinc/96/74/97/1100967497.db2.gz XXSDBLWWFOXGTG-FQEVSTJZSA-N 0 0 336.391 2.854 10 10 EFCERN CC(=O)N(CC(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001639624845 1100967673 /nfs/dbraw/zinc/96/76/73/1100967673.db2.gz MMFHBYWEHGYJGB-UHFFFAOYSA-N 0 0 349.390 2.610 10 10 EFCERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001639849834 1100988281 /nfs/dbraw/zinc/98/82/81/1100988281.db2.gz KCZRLQVLATXJGF-XBVQOTNRSA-N 0 0 347.455 2.819 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)c2ccccc2F)cc1 ZINC001639873687 1100990707 /nfs/dbraw/zinc/99/07/07/1100990707.db2.gz YKJFAUWKHDUKST-OAHLLOKOSA-N 0 0 344.346 2.842 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cccc(Cn2cncn2)c1 ZINC001639965106 1100999059 /nfs/dbraw/zinc/99/90/59/1100999059.db2.gz CQYWEHVAGOWVIJ-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001639965858 1100999244 /nfs/dbraw/zinc/99/92/44/1100999244.db2.gz RSHDTYOHYRAAFF-SXGWCWSVSA-N 0 0 344.798 2.839 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1c[nH]nc1-c1ccccn1 ZINC001639965086 1100999639 /nfs/dbraw/zinc/99/96/39/1100999639.db2.gz BYLRJQUEUQMAAS-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1c[nH]cn1 ZINC001640349329 1101036920 /nfs/dbraw/zinc/03/69/20/1101036920.db2.gz WNLRMZJZYCTTCT-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN Cn1c(C(=O)NCc2cccc(Cl)c2O)cc(=O)c2ccccc21 ZINC001640405257 1101043729 /nfs/dbraw/zinc/04/37/29/1101043729.db2.gz OGYLHKVVUYBYNZ-UHFFFAOYSA-N 0 0 342.782 2.828 10 10 EFCERN COC(=O)/C=C/c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001640452877 1101047860 /nfs/dbraw/zinc/04/78/60/1101047860.db2.gz KFACBETYXQPDRV-SOFGYWHQSA-N 0 0 344.323 2.804 10 10 EFCERN COCC[C@@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000840396567 1101056983 /nfs/dbraw/zinc/05/69/83/1101056983.db2.gz RJXSUZSEYJESGB-SNVBAGLBSA-N 0 0 345.237 2.627 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC001640796355 1101079593 /nfs/dbraw/zinc/07/95/93/1101079593.db2.gz AMUGOBDHDRDGHC-UHFFFAOYSA-N 0 0 344.352 2.544 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc(N=S(C)(C)=O)cc2)c1 ZINC001640800215 1101079745 /nfs/dbraw/zinc/07/97/45/1101079745.db2.gz IDNUNYNMTSGGOQ-UHFFFAOYSA-N 0 0 332.425 2.990 10 10 EFCERN Cc1cccc(-n2cc(C(=O)NCc3cc(Cl)ccc3O)nn2)c1 ZINC001640920023 1101087665 /nfs/dbraw/zinc/08/76/65/1101087665.db2.gz IWVIPWTXGYVCQQ-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN COC(=O)Cc1sccc1C(=O)NCc1cc(Cl)ccc1O ZINC001640924495 1101089121 /nfs/dbraw/zinc/08/91/21/1101089121.db2.gz ONDKBPNYBURXLJ-UHFFFAOYSA-N 0 0 339.800 2.753 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOCC2(CC2)C1 ZINC000840478886 1101091389 /nfs/dbraw/zinc/09/13/89/1101091389.db2.gz CTFCWMPBRMIOCM-MRXNPFEDSA-N 0 0 345.487 2.814 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCCOC(=O)N(C)C)cc1 ZINC001640962323 1101092450 /nfs/dbraw/zinc/09/24/50/1101092450.db2.gz FWSIVBHUIYVKOZ-UHFFFAOYSA-N 0 0 329.400 2.522 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCc2c3ccccc3[nH]c2C1 ZINC001641436895 1101136718 /nfs/dbraw/zinc/13/67/18/1101136718.db2.gz IUTWTVFSULKBNF-UHFFFAOYSA-N 0 0 326.327 2.917 10 10 EFCERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC001641728802 1101160142 /nfs/dbraw/zinc/16/01/42/1101160142.db2.gz HOSRRWMYFIUKLP-CQSZACIVSA-N 0 0 336.391 2.832 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2c(C)c(=O)n(C)c3ccccc32)c1 ZINC001641732895 1101161056 /nfs/dbraw/zinc/16/10/56/1101161056.db2.gz GTMANFKVLUHQEK-UHFFFAOYSA-N 0 0 336.391 2.791 10 10 EFCERN Cc1ccc(C(=O)NCc2cnccc2C(F)(F)F)c(O)c1O ZINC001641957562 1101178492 /nfs/dbraw/zinc/17/84/92/1101178492.db2.gz KBAPXOHQGZDCCR-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN Nc1ccnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001641972000 1101179618 /nfs/dbraw/zinc/17/96/18/1101179618.db2.gz KOMPJPIGNXTFCU-UHFFFAOYSA-N 0 0 330.351 2.626 10 10 EFCERN Cn1c(C=O)ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971954 1101180106 /nfs/dbraw/zinc/18/01/06/1101180106.db2.gz IXBUSLWUDLCMNL-UHFFFAOYSA-N 0 0 345.362 2.800 10 10 EFCERN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001642323455 1101205892 /nfs/dbraw/zinc/20/58/92/1101205892.db2.gz LHXGUMHFQWNAEI-UHFFFAOYSA-N 0 0 342.370 2.928 10 10 EFCERN COc1cncc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC001642398566 1101211039 /nfs/dbraw/zinc/21/10/39/1101211039.db2.gz IACSXBVIEMTMDO-UHFFFAOYSA-N 0 0 336.395 2.823 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2nnc(C3CC3)s2)cc1 ZINC001642864966 1101250069 /nfs/dbraw/zinc/25/00/69/1101250069.db2.gz SJJCZOVRSOAMFQ-UHFFFAOYSA-N 0 0 330.373 2.508 10 10 EFCERN CCOC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001643103860 1101269999 /nfs/dbraw/zinc/26/99/99/1101269999.db2.gz IFZGFZBANKKUHE-UHFFFAOYSA-N 0 0 348.330 2.735 10 10 EFCERN Cc1nc([C@@](C)(NCc2ccc(N3CCOCC3)cc2)C2CC2)no1 ZINC001643212475 1101280349 /nfs/dbraw/zinc/28/03/49/1101280349.db2.gz GNDNJMYCZJXFMO-IBGZPJMESA-N 0 0 342.443 2.630 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)C3(CC(C)=O)CCC3)C2)cc1 ZINC001643351629 1101291789 /nfs/dbraw/zinc/29/17/89/1101291789.db2.gz ZTUTYLLAOVUMRA-INIZCTEOSA-N 0 0 344.455 2.787 10 10 EFCERN O=c1[nH]c2nc(Cl)nc(NCc3ccc(N4CC=CC4)cc3)c2[nH]1 ZINC001651557559 1101350503 /nfs/dbraw/zinc/35/05/03/1101350503.db2.gz SZIYHMVDMKDTPK-UHFFFAOYSA-N 0 0 342.790 2.700 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCOCCCO ZINC001651838813 1101391200 /nfs/dbraw/zinc/39/12/00/1101391200.db2.gz CCZZUXOEDJTFNB-UHFFFAOYSA-N 0 0 344.367 2.637 10 10 EFCERN C[C@@H]1CCN(c2cc(C(=O)NCc3c(O)cccc3F)ccn2)C1 ZINC001652295897 1101471119 /nfs/dbraw/zinc/47/11/19/1101471119.db2.gz UPKPGQVLVBLZDE-GFCCVEGCSA-N 0 0 329.375 2.703 10 10 EFCERN Cc1[nH]c(C(=O)NCc2c(O)cccc2F)c(C)c1C(=O)OC(C)C ZINC001652295999 1101471854 /nfs/dbraw/zinc/47/18/54/1101471854.db2.gz ZHWLZKSBSFZJJJ-UHFFFAOYSA-N 0 0 348.374 2.971 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1-c1cnccn1 ZINC001652298949 1101471885 /nfs/dbraw/zinc/47/18/85/1101471885.db2.gz WAWNUAVMCJLCDY-UHFFFAOYSA-N 0 0 340.358 2.659 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCCN=S(C)(C)=O)cc1 ZINC001652322627 1101476559 /nfs/dbraw/zinc/47/65/59/1101476559.db2.gz FLVYZFLPPSAXOS-UHFFFAOYSA-N 0 0 333.457 2.552 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2cccc(=O)[nH]2)c(C)n1-c1ccccn1 ZINC001652538229 1101509346 /nfs/dbraw/zinc/50/93/46/1101509346.db2.gz BZXYVDIRFPSJMD-UHFFFAOYSA-N 0 0 336.395 2.862 10 10 EFCERN CC(C)(COCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001652625740 1101522339 /nfs/dbraw/zinc/52/23/39/1101522339.db2.gz KTTQZUBLXUIQMO-UHFFFAOYSA-N 0 0 329.396 2.957 10 10 EFCERN CC(C)(C)OC(=O)NOCC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708341 1101532596 /nfs/dbraw/zinc/53/25/96/1101532596.db2.gz BOYQIORQFWSQTA-UHFFFAOYSA-N 0 0 346.383 2.618 10 10 EFCERN COc1cccc([C@@H](O)C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001652708566 1101533015 /nfs/dbraw/zinc/53/30/15/1101533015.db2.gz ICLLOMVVSXNCHX-LJQANCHMSA-N 0 0 337.375 2.904 10 10 EFCERN Cn1ncc2cc(C(=O)NCc3c(O)ccc4ccccc43)cnc21 ZINC001652708909 1101533109 /nfs/dbraw/zinc/53/31/09/1101533109.db2.gz POILEFVASHVPFD-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN CCO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCOCC1 ZINC001652709042 1101533886 /nfs/dbraw/zinc/53/38/86/1101533886.db2.gz SXIGROIUASHUMQ-LJQANCHMSA-N 0 0 343.423 2.993 10 10 EFCERN Cc1cc(C(=O)N[C@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1C ZINC001652786714 1101546487 /nfs/dbraw/zinc/54/64/87/1101546487.db2.gz GMVPZVDILRVXRD-MRXNPFEDSA-N 0 0 338.411 2.589 10 10 EFCERN C/C(=C/C(=O)N(C)c1ccc(Br)nc1)c1cnccn1 ZINC001126579042 1101607821 /nfs/dbraw/zinc/60/78/21/1101607821.db2.gz SKYJGSQZEURWPP-YFHOEESVSA-N 0 0 333.189 2.700 10 10 EFCERN C[C@@]1(C(=O)NCc2cccc(Cl)c2O)Cc2ccccc2C(=O)O1 ZINC001653563636 1101632839 /nfs/dbraw/zinc/63/28/39/1101632839.db2.gz GSORDOLXOKJQEK-SFHVURJKSA-N 0 0 345.782 2.834 10 10 EFCERN Nc1c(C(=O)NCc2cccc(Cl)c2O)cc(F)cc1[N+](=O)[O-] ZINC001653563950 1101632873 /nfs/dbraw/zinc/63/28/73/1101632873.db2.gz UPAYRYWJUIWALU-UHFFFAOYSA-N 0 0 339.710 2.605 10 10 EFCERN Cc1noc([C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)C)n1 ZINC001654027237 1101671340 /nfs/dbraw/zinc/67/13/40/1101671340.db2.gz NAWYTOGWGVYUDJ-GFCCVEGCSA-N 0 0 330.348 2.668 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@@H](CO)c2ccc(F)cc2F)c1O ZINC001654313562 1101703644 /nfs/dbraw/zinc/70/36/44/1101703644.db2.gz GUWSBZNYKGUHIR-INIZCTEOSA-N 0 0 339.313 2.835 10 10 EFCERN O=c1[nH]ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC001654939336 1101772139 /nfs/dbraw/zinc/77/21/39/1101772139.db2.gz YREINMBGVYVIIP-UHFFFAOYSA-N 0 0 337.339 2.865 10 10 EFCERN COc1cccc(O)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001625848176 1101813126 /nfs/dbraw/zinc/81/31/26/1101813126.db2.gz XZNLZZWHCISBSK-UHFFFAOYSA-N 0 0 326.396 2.713 10 10 EFCERN O=c1[nH]c(NCc2cc(O)ccc2O)nc2c1cnn2-c1ccccc1 ZINC001655815239 1101896567 /nfs/dbraw/zinc/89/65/67/1101896567.db2.gz XWBGLARJFCBPRQ-UHFFFAOYSA-N 0 0 349.350 2.544 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000588404971 1101914675 /nfs/dbraw/zinc/91/46/75/1101914675.db2.gz ZWXQFJHNYJMNOU-ZDTYVGOBSA-N 0 0 331.393 2.773 10 10 EFCERN COc1ccc(N(Cc2ccccc2)C[C@@H]2CCC(=O)N2)cc1OC ZINC001656583383 1102127990 /nfs/dbraw/zinc/12/79/90/1102127990.db2.gz SEWMSFWCFXKSJS-INIZCTEOSA-N 0 0 340.423 2.989 10 10 EFCERN CC[C@H](C)[C@H](C(=O)OC)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068447 1102317836 /nfs/dbraw/zinc/31/78/36/1102317836.db2.gz NJZHENJMLAOEQI-SUMWQHHRSA-N 0 0 338.423 2.544 10 10 EFCERN CC[C@H](C)[C@@H](C(=O)OC)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068446 1102318517 /nfs/dbraw/zinc/31/85/17/1102318517.db2.gz NJZHENJMLAOEQI-GUYCJALGSA-N 0 0 338.423 2.544 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCc2nc(-c3ccco3)no2)c1 ZINC001167290815 1102319941 /nfs/dbraw/zinc/31/99/41/1102319941.db2.gz LZOJEMHGFBVXMN-UHFFFAOYSA-N 0 0 327.340 2.593 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)c1 ZINC001167293516 1102340832 /nfs/dbraw/zinc/34/08/32/1102340832.db2.gz HGLBLZJEEAMAFV-ZDUSSCGKSA-N 0 0 328.343 2.582 10 10 EFCERN CN(CC(=O)NCc1cccnc1)c1ccc(-c2nccs2)cc1 ZINC001658927865 1102499182 /nfs/dbraw/zinc/49/91/82/1102499182.db2.gz DCSZJINWTHGHGT-UHFFFAOYSA-N 0 0 338.436 2.958 10 10 EFCERN C[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1O ZINC001648887434 1102550772 /nfs/dbraw/zinc/55/07/72/1102550772.db2.gz QUYCBBIYIOMAOY-GFCCVEGCSA-N 0 0 338.363 2.537 10 10 EFCERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000588446999 1102565055 /nfs/dbraw/zinc/56/50/55/1102565055.db2.gz YKNNUZMNNNWPMF-FLIBITNWSA-N 0 0 328.324 2.726 10 10 EFCERN COc1ccc(/C=C(/C)C(=O)NCc2ccc(O)c(O)c2)cc1F ZINC000588446898 1102565303 /nfs/dbraw/zinc/56/53/03/1102565303.db2.gz AMVIXPHNFPKARM-XFFZJAGNSA-N 0 0 331.343 2.965 10 10 EFCERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000588446842 1102565535 /nfs/dbraw/zinc/56/55/35/1102565535.db2.gz GXHFQOTXJNJUNM-ZRDIBKRKSA-N 0 0 342.351 2.768 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1cc(C)c(S(N)(=O)=O)cc1C ZINC000905422721 1103147523 /nfs/dbraw/zinc/14/75/23/1103147523.db2.gz RZLXGHYLHRATFH-UHFFFAOYSA-N 0 0 347.484 2.937 10 10 EFCERN Cn1c(NCc2cc(Br)cc(F)c2O)nnc1C1CC1 ZINC000905416219 1103159278 /nfs/dbraw/zinc/15/92/78/1103159278.db2.gz CACCMXVXFUKARD-UHFFFAOYSA-N 0 0 341.184 2.912 10 10 EFCERN COC(=O)c1cnc(SC[C@@H](O)C[C@@H](O)c2ccccc2)s1 ZINC000905957101 1103778547 /nfs/dbraw/zinc/77/85/47/1103778547.db2.gz LNRUNFGOZCQHND-NWDGAFQWSA-N 0 0 339.438 2.506 10 10 EFCERN COC(=O)c1cnc(SC[C@H](O)C[C@H](O)c2ccccc2)s1 ZINC000905957100 1103778867 /nfs/dbraw/zinc/77/88/67/1103778867.db2.gz LNRUNFGOZCQHND-NEPJUHHUSA-N 0 0 339.438 2.506 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H]2COc2cccnc2C)c(O)c1O ZINC000841471114 1104015767 /nfs/dbraw/zinc/01/57/67/1104015767.db2.gz KOHDBSORKFHROQ-AWEZNQCLSA-N 0 0 342.395 2.793 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000906260560 1104076721 /nfs/dbraw/zinc/07/67/21/1104076721.db2.gz JOMCRQCLYVIGFF-KBRIMQKVSA-N 0 0 334.485 2.527 10 10 EFCERN C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841890749 1105843376 /nfs/dbraw/zinc/84/33/76/1105843376.db2.gz FHJKAILVKYIYJR-QWRGUYRKSA-N 0 0 333.259 2.586 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(C2CCOCC2)C1 ZINC000897671059 1106040179 /nfs/dbraw/zinc/04/01/79/1106040179.db2.gz QFVKCDSHUDSIBB-UHFFFAOYSA-N 0 0 333.409 2.811 10 10 EFCERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956412 1106043576 /nfs/dbraw/zinc/04/35/76/1106043576.db2.gz AXFIJWSFVONWNL-KUHUBIRLSA-N 0 0 339.439 2.845 10 10 EFCERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956413 1106043580 /nfs/dbraw/zinc/04/35/80/1106043580.db2.gz AXFIJWSFVONWNL-LIRRHRJNSA-N 0 0 339.439 2.845 10 10 EFCERN CC(C)n1cnnc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897832796 1106111225 /nfs/dbraw/zinc/11/12/25/1106111225.db2.gz LYFMBKZORRJTMX-UHFFFAOYSA-N 0 0 346.412 2.757 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CC1)OCCCO2 ZINC000897852168 1106118707 /nfs/dbraw/zinc/11/87/07/1106118707.db2.gz AVMKTZCVMZWLTN-UHFFFAOYSA-N 0 0 349.408 2.682 10 10 EFCERN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897902058 1106140293 /nfs/dbraw/zinc/14/02/93/1106140293.db2.gz ITSLHYLGPMQPOW-YVEFUNNKSA-N 0 0 347.436 2.839 10 10 EFCERN CC[C@@H](C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897919018 1106150186 /nfs/dbraw/zinc/15/01/86/1106150186.db2.gz CUHJVOWGLVZYMH-LLVKDONJSA-N 0 0 334.441 2.869 10 10 EFCERN CO[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897960851 1106167914 /nfs/dbraw/zinc/16/79/14/1106167914.db2.gz DKNAKQYEPNVMCJ-CABCVRRESA-N 0 0 333.409 3.000 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1C1CCC1 ZINC000898088250 1106220310 /nfs/dbraw/zinc/22/03/10/1106220310.db2.gz MACFZTKLNIEQFU-LBPRGKRZSA-N 0 0 333.409 2.954 10 10 EFCERN Cn1cnc2cc(CNC(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001676097536 1106485171 /nfs/dbraw/zinc/48/51/71/1106485171.db2.gz UQNXMUJVOFQWCT-UHFFFAOYSA-N 0 0 344.802 2.932 10 10 EFCERN CCOc1ccc(N2CCN(Cc3csnc3OC)CC2)cc1 ZINC001168331788 1107022057 /nfs/dbraw/zinc/02/20/57/1107022057.db2.gz RLEBDHVGFRIZJV-UHFFFAOYSA-N 0 0 333.457 2.873 10 10 EFCERN FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cn[nH]c1 ZINC000749921734 1107638856 /nfs/dbraw/zinc/63/88/56/1107638856.db2.gz SQJZMYVQUAQTEP-UHFFFAOYSA-N 0 0 340.349 2.555 10 10 EFCERN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000904461176 1107956216 /nfs/dbraw/zinc/95/62/16/1107956216.db2.gz GCBIRCZXGBPLQF-HUUCEWRRSA-N 0 0 333.229 2.869 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001681851736 1108452992 /nfs/dbraw/zinc/45/29/92/1108452992.db2.gz JTWUJQBJSHDLLZ-RDJZCZTQSA-N 0 0 331.460 2.853 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC001681887451 1108467367 /nfs/dbraw/zinc/46/73/67/1108467367.db2.gz GGBKYBPAJUQLHL-IEBWSBKVSA-N 0 0 345.487 2.979 10 10 EFCERN CCC(=O)NCCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001682058724 1108546039 /nfs/dbraw/zinc/54/60/39/1108546039.db2.gz UTTSKLWTUNRWPG-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN COC(=O)Nc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001682415968 1108616139 /nfs/dbraw/zinc/61/61/39/1108616139.db2.gz HSYICYXWSNTICF-UHFFFAOYSA-N 0 0 341.367 2.796 10 10 EFCERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cncc1F ZINC001682403339 1108616293 /nfs/dbraw/zinc/61/62/93/1108616293.db2.gz IYRCLEZMWRTGAU-MRVPVSSYSA-N 0 0 325.290 2.765 10 10 EFCERN CCC1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)COC1 ZINC001682624055 1108624563 /nfs/dbraw/zinc/62/45/63/1108624563.db2.gz WEKYXWKRTOADPX-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000927131722 1108946059 /nfs/dbraw/zinc/94/60/59/1108946059.db2.gz QMTAMWYKFCSEFG-RNCFNFMXSA-N 0 0 329.322 2.529 10 10 EFCERN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000899109336 1109206151 /nfs/dbraw/zinc/20/61/51/1109206151.db2.gz NQBZDNKTCCQFES-MFKMUULPSA-N 0 0 340.807 2.577 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](C(F)F)CC1 ZINC000899166417 1109229611 /nfs/dbraw/zinc/22/96/11/1109229611.db2.gz NHZVXNRLJSHJFR-NSHDSACASA-N 0 0 343.351 2.809 10 10 EFCERN C[C@H](NC(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1O ZINC000899182389 1109234173 /nfs/dbraw/zinc/23/41/73/1109234173.db2.gz ZGGUNGUQQVESPS-GJZGRUSLSA-N 0 0 333.428 2.935 10 10 EFCERN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000899173832 1109235154 /nfs/dbraw/zinc/23/51/54/1109235154.db2.gz PGXFCKFHXBOZNF-OAHLLOKOSA-N 0 0 346.427 2.928 10 10 EFCERN O=C(c1csc(N2CCCCC2)n1)N1Cc2cccc(O)c2C1 ZINC000899173465 1109235418 /nfs/dbraw/zinc/23/54/18/1109235418.db2.gz MNODOJVGOJKTAI-UHFFFAOYSA-N 0 0 329.425 2.995 10 10 EFCERN CC(C)(O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899192542 1109238558 /nfs/dbraw/zinc/23/85/58/1109238558.db2.gz LECLQSJRTLVQEJ-LLVKDONJSA-N 0 0 335.425 2.936 10 10 EFCERN COC(=O)N[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000899631718 1109426523 /nfs/dbraw/zinc/42/65/23/1109426523.db2.gz QWXAZUBSLSDRMO-ZDUSSCGKSA-N 0 0 347.440 2.726 10 10 EFCERN Cc1nc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000176560278 1111256560 /nfs/dbraw/zinc/25/65/60/1111256560.db2.gz IWUOLBJCZBGYEB-UHFFFAOYSA-N 0 0 343.431 2.614 10 10 EFCERN CCCCCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001483893740 1112552148 /nfs/dbraw/zinc/55/21/48/1112552148.db2.gz BQOWKIPPEFGKTH-UHFFFAOYSA-N 0 0 331.420 2.795 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)OC)co2)cc1 ZINC000184075715 1118924751 /nfs/dbraw/zinc/92/47/51/1118924751.db2.gz FBVCBTJIJSQJMH-UHFFFAOYSA-N 0 0 330.384 2.842 10 10 EFCERN COc1cccc2c1nc(NC(=O)c1ccc(C)c(O)c1O)n2C ZINC000184144189 1118944811 /nfs/dbraw/zinc/94/48/11/1118944811.db2.gz VFBBIHFFSNJMNR-UHFFFAOYSA-N 0 0 327.340 2.554 10 10 EFCERN C[C@@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000185014264 1119683919 /nfs/dbraw/zinc/68/39/19/1119683919.db2.gz WDHLEBVAAQZQJU-CQSZACIVSA-N 0 0 338.473 2.866 10 10 EFCERN CC(C)C[C@H](CO)N(C)C(=O)NCCCSc1nccs1 ZINC000185649075 1120410643 /nfs/dbraw/zinc/41/06/43/1120410643.db2.gz DYARAAHLWJXHBY-GFCCVEGCSA-N 0 0 331.507 2.674 10 10 EFCERN Cc1nc(CSCC(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000052807200 214147415 /nfs/dbraw/zinc/14/74/15/214147415.db2.gz KMNVQNFRZRPDDW-UHFFFAOYSA-N 0 0 346.456 2.528 10 10 EFCERN CCc1nccn1[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180758924 529760981 /nfs/dbraw/zinc/76/09/81/529760981.db2.gz MFGUXUFQFIXEEE-VFADXPBXSA-N 0 0 341.411 2.734 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171448676 529781124 /nfs/dbraw/zinc/78/11/24/529781124.db2.gz WRVLKAFGDAFJQC-QGZVFWFLSA-N 0 0 327.432 2.533 10 10 EFCERN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101289058 219121167 /nfs/dbraw/zinc/12/11/67/219121167.db2.gz UETFHPNZJPQCMX-GDNBJRDFSA-N 0 0 347.378 2.883 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(O)c1 ZINC000176298489 529988678 /nfs/dbraw/zinc/98/86/78/529988678.db2.gz POVZXRJCFNMHSW-UHFFFAOYSA-N 0 0 326.396 2.501 10 10 EFCERN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]C(C)(C)C ZINC000101833953 219166286 /nfs/dbraw/zinc/16/62/86/219166286.db2.gz MNMGYUNCINCCNK-FOWTUZBSSA-N 0 0 329.400 2.614 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1F ZINC000066841406 215085062 /nfs/dbraw/zinc/08/50/62/215085062.db2.gz GBHSIPUQHOHFFX-HZPDHXFCSA-N 0 0 344.434 2.825 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccsc1 ZINC000069379549 215394428 /nfs/dbraw/zinc/39/44/28/215394428.db2.gz QDIKAOFURALZAQ-UHFFFAOYSA-N 0 0 332.425 2.622 10 10 EFCERN COCCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000069618854 215500797 /nfs/dbraw/zinc/50/07/97/215500797.db2.gz HFKYIZSUGGANNN-VOTSOKGWSA-N 0 0 327.340 2.683 10 10 EFCERN Cc1ncc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000126271346 238905181 /nfs/dbraw/zinc/90/51/81/238905181.db2.gz MLCKZVRWKKAXCG-UHFFFAOYSA-N 0 0 328.441 2.827 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC000158991882 239019478 /nfs/dbraw/zinc/01/94/78/239019478.db2.gz QRMOYDNVBIUROD-UHFFFAOYSA-N 0 0 338.398 2.965 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159087759 239020892 /nfs/dbraw/zinc/02/08/92/239020892.db2.gz AWNAUKUSZDNVOW-ABAIWWIYSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000175148615 239257144 /nfs/dbraw/zinc/25/71/44/239257144.db2.gz MKTSYGQIAXPQCT-SFHVURJKSA-N 0 0 341.459 2.632 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc(C)cc1 ZINC000177412772 239373503 /nfs/dbraw/zinc/37/35/03/239373503.db2.gz CJIMTHKHEDTJBS-INIZCTEOSA-N 0 0 333.453 2.672 10 10 EFCERN COC[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000180656971 239497292 /nfs/dbraw/zinc/49/72/92/239497292.db2.gz PQKWKRWHEDIZRM-CVEARBPZSA-N 0 0 348.468 2.829 10 10 EFCERN Cc1cc(C(=O)N2CCCN(C)C(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000189748108 239855375 /nfs/dbraw/zinc/85/53/75/239855375.db2.gz QPQBYYLQPTVEQO-UHFFFAOYSA-N 0 0 343.402 2.538 10 10 EFCERN COc1ccc(O)c([C@@H](C)Nc2cccc(-n3nnnc3C)c2)c1 ZINC000192822881 240067687 /nfs/dbraw/zinc/06/76/87/240067687.db2.gz YFOXJJVUQWWCRH-LLVKDONJSA-N 0 0 325.372 2.858 10 10 EFCERN Cc1cc([C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)ccc1F ZINC000193150524 240088674 /nfs/dbraw/zinc/08/86/74/240088674.db2.gz RXYVIRJKRBNQEK-MRXNPFEDSA-N 0 0 331.343 2.759 10 10 EFCERN Cc1cc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)ccc1F ZINC000193150514 240089189 /nfs/dbraw/zinc/08/91/89/240089189.db2.gz RXYVIRJKRBNQEK-INIZCTEOSA-N 0 0 331.343 2.759 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000193257918 240092324 /nfs/dbraw/zinc/09/23/24/240092324.db2.gz YSGLVEMCQCAJNM-OAHLLOKOSA-N 0 0 339.395 2.660 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000193936003 240130193 /nfs/dbraw/zinc/13/01/93/240130193.db2.gz BMPYXCZBKGXXKY-LLVKDONJSA-N 0 0 328.368 2.785 10 10 EFCERN CC(C)c1nc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299716 240215772 /nfs/dbraw/zinc/21/57/72/240215772.db2.gz VZGFJSQWWGFZKF-LBPRGKRZSA-N 0 0 331.372 2.964 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1F ZINC000246920735 240274559 /nfs/dbraw/zinc/27/45/59/240274559.db2.gz MUBZLMLOVBWBLC-APHBMKBZSA-N 0 0 335.423 2.504 10 10 EFCERN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266566461 240482724 /nfs/dbraw/zinc/48/27/24/240482724.db2.gz ODYRQXWSGDLZRK-CABCVRRESA-N 0 0 325.364 2.583 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nnn1C ZINC000265932683 240469168 /nfs/dbraw/zinc/46/91/68/240469168.db2.gz GJVKRXUJFPOBCD-UHFFFAOYSA-N 0 0 341.459 2.822 10 10 EFCERN COc1cc(N(C)CCNC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000268373949 240552174 /nfs/dbraw/zinc/55/21/74/240552174.db2.gz SLIPLYGORFMCTN-UHFFFAOYSA-N 0 0 340.420 2.673 10 10 EFCERN COc1ccc(O)c([C@H](C)N[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000273367692 240696731 /nfs/dbraw/zinc/69/67/31/240696731.db2.gz BUPCAHUINADAPQ-NHYWBVRUSA-N 0 0 333.409 2.580 10 10 EFCERN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)n(C)n1 ZINC000278584908 240814185 /nfs/dbraw/zinc/81/41/85/240814185.db2.gz YMFHATLRAAOXGI-DZGCQCFKSA-N 0 0 332.423 2.893 10 10 EFCERN Cc1cccnc1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000296867652 241102023 /nfs/dbraw/zinc/10/20/23/241102023.db2.gz VPIGAXGXFKHNDT-UHFFFAOYSA-N 0 0 330.407 2.637 10 10 EFCERN CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294253393 241039170 /nfs/dbraw/zinc/03/91/70/241039170.db2.gz NLQIXBARMSDZGT-UHFFFAOYSA-N 0 0 330.787 2.895 10 10 EFCERN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000294486905 241048341 /nfs/dbraw/zinc/04/83/41/241048341.db2.gz WUUHQKNAMFGRER-MRXNPFEDSA-N 0 0 328.412 2.964 10 10 EFCERN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521292 241054901 /nfs/dbraw/zinc/05/49/01/241054901.db2.gz ZYVDWZGBJZOOKD-DZGCQCFKSA-N 0 0 349.855 2.972 10 10 EFCERN CSCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298856882 241162301 /nfs/dbraw/zinc/16/23/01/241162301.db2.gz MNGOOYVLPQEYSE-STQMWFEESA-N 0 0 340.464 2.809 10 10 EFCERN Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(C)n1-c1ccccn1 ZINC000304615817 241198650 /nfs/dbraw/zinc/19/86/50/241198650.db2.gz GRNWMEHCJVHKQM-ICSRJNTNSA-N 0 0 347.418 2.877 10 10 EFCERN COc1c(O)c(CNc2c[nH]nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000365797410 242334463 /nfs/dbraw/zinc/33/44/63/242334463.db2.gz RXFUFGZNIKBIAL-UHFFFAOYSA-N 0 0 341.327 2.706 10 10 EFCERN O=C([C@@H]1CCCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000365952959 242338028 /nfs/dbraw/zinc/33/80/28/242338028.db2.gz VAMNXJFHOMOHHK-WBVHZDCISA-N 0 0 333.428 2.717 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000366643668 242359998 /nfs/dbraw/zinc/35/99/98/242359998.db2.gz QRZNLOKHKJIRES-ACYLFWIKSA-N 0 0 346.383 2.644 10 10 EFCERN COC(=O)c1cncnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367279742 242376176 /nfs/dbraw/zinc/37/61/76/242376176.db2.gz ZTVZJUSWGVIIBU-UHFFFAOYSA-N 0 0 330.775 2.605 10 10 EFCERN c1cc(N2CCOCC2)ccc1CNCc1noc2c1CCCC2 ZINC000367971142 242398759 /nfs/dbraw/zinc/39/87/59/242398759.db2.gz WOTARLIUBOZWNM-UHFFFAOYSA-N 0 0 327.428 2.680 10 10 EFCERN COc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1Cl ZINC000021024286 212200367 /nfs/dbraw/zinc/20/03/67/212200367.db2.gz CANNQDLRARYMFJ-UHFFFAOYSA-N 0 0 343.770 2.829 10 10 EFCERN Cc1ccc(O[C@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000021024953 212200294 /nfs/dbraw/zinc/20/02/94/212200294.db2.gz TZOJQHYUFIMNMC-CQSZACIVSA-N 0 0 337.379 2.629 10 10 EFCERN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccccc3C)=N2)cc1 ZINC000020924450 212188748 /nfs/dbraw/zinc/18/87/48/212188748.db2.gz LPSMFSLWHLVQCD-QGZVFWFLSA-N 0 0 335.407 2.904 10 10 EFCERN CCc1ccc(C(=O)NC2=N[C@H](c3ccccc3F)CC(=O)N2)cc1 ZINC000020135505 212105000 /nfs/dbraw/zinc/10/50/00/212105000.db2.gz DKEGEGJOEZOPPB-INIZCTEOSA-N 0 0 339.370 2.735 10 10 EFCERN CC(C)Oc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc1 ZINC000435816202 249425497 /nfs/dbraw/zinc/42/54/97/249425497.db2.gz IGWALBOYBQJOLY-UHFFFAOYSA-N 0 0 341.411 2.974 10 10 EFCERN CCCN(CCC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000012527063 211399003 /nfs/dbraw/zinc/39/90/03/211399003.db2.gz FSDZQKURGAOAQY-UHFFFAOYSA-N 0 0 343.427 2.747 10 10 EFCERN CCN(Cc1ccc2c(c1)OCCO2)C(=S)NCc1ccco1 ZINC000006541528 210650198 /nfs/dbraw/zinc/65/01/98/210650198.db2.gz JZAYIIVRRWBWMU-UHFFFAOYSA-N 0 0 332.425 2.947 10 10 EFCERN COCCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S ZINC000096935957 218902577 /nfs/dbraw/zinc/90/25/77/218902577.db2.gz PQZSXUXYNTZARI-LCYFTJDESA-N 0 0 339.438 2.639 10 10 EFCERN CCC(=O)NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005241516 210421531 /nfs/dbraw/zinc/42/15/31/210421531.db2.gz UWWYINBCOCNGPF-JXMROGBWSA-N 0 0 326.830 2.982 10 10 EFCERN CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000097312398 219011935 /nfs/dbraw/zinc/01/19/35/219011935.db2.gz BRTVQXZYYNYFMQ-JNLAIUADSA-N 0 0 344.455 2.564 10 10 EFCERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000173734468 533176748 /nfs/dbraw/zinc/17/67/48/533176748.db2.gz DSBQZUHWBMZZCR-MRXNPFEDSA-N 0 0 339.439 2.680 10 10 EFCERN COC(=O)c1cc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)oc1C ZINC000096926414 291995595 /nfs/dbraw/zinc/99/55/95/291995595.db2.gz SXOIOSVMJBYEJP-KTKRTIGZSA-N 0 0 342.395 2.770 10 10 EFCERN CSC1=NSC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=N)N12 ZINC000003894839 274175367 /nfs/dbraw/zinc/17/53/67/274175367.db2.gz PIFGRNDHPVYRGI-OAOWJTDASA-N 0 0 347.381 2.534 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280478867 277306700 /nfs/dbraw/zinc/30/67/00/277306700.db2.gz NPEQXCZVOXUTHD-QQOXCAACSA-N 0 0 334.372 2.522 10 10 EFCERN C[C@@H]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000302061831 278616218 /nfs/dbraw/zinc/61/62/18/278616218.db2.gz UCJBOKUEEWQDMX-DIFFPNOSSA-N 0 0 331.372 2.942 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272501096 295027506 /nfs/dbraw/zinc/02/75/06/295027506.db2.gz LHTDGDOERJFYTH-FZMZJTMJSA-N 0 0 338.404 2.845 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000081479177 473206025 /nfs/dbraw/zinc/20/60/25/473206025.db2.gz IBOAKRNFQJAVCD-FUHWJXTLSA-N 0 0 331.460 2.637 10 10 EFCERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc2c(cc1O)OCO2 ZINC000138078152 473214572 /nfs/dbraw/zinc/21/45/72/473214572.db2.gz IJFZENXAEBJRPM-UHFFFAOYSA-N 0 0 343.305 2.505 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000137994729 473214892 /nfs/dbraw/zinc/21/48/92/473214892.db2.gz FNUDXNDWHCDTMI-DNVCBOLYSA-N 0 0 349.450 2.728 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3cccc(C)n3)CC2)cc1 ZINC000124280516 473227076 /nfs/dbraw/zinc/22/70/76/473227076.db2.gz BNAXRBJHNCZFLC-UHFFFAOYSA-N 0 0 326.400 2.753 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)[nH]n1 ZINC000124663067 473282108 /nfs/dbraw/zinc/28/21/08/473282108.db2.gz VDPKILORDXQGSU-CYBMUJFWSA-N 0 0 341.459 2.531 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O ZINC000177154923 473318485 /nfs/dbraw/zinc/31/84/85/473318485.db2.gz JIODUNIKXJMNKC-ZDUSSCGKSA-N 0 0 348.834 2.752 10 10 EFCERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000125195383 473372285 /nfs/dbraw/zinc/37/22/85/473372285.db2.gz YISZCJZKVMLJDJ-XJKSGUPXSA-N 0 0 329.448 2.676 10 10 EFCERN O=C(NC1=N[C@@H](c2ccccc2F)CC(=O)N1)c1ccc(Cl)cc1 ZINC000006817893 471572285 /nfs/dbraw/zinc/57/22/85/471572285.db2.gz MASPLCYGAWKPQC-CQSZACIVSA-N 0 0 345.761 2.826 10 10 EFCERN Cc1ccc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000007356323 471608841 /nfs/dbraw/zinc/60/88/41/471608841.db2.gz QWANCPDWPOCUJD-UHFFFAOYSA-N 0 0 329.444 2.744 10 10 EFCERN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccccn1 ZINC000008486532 471690865 /nfs/dbraw/zinc/69/08/65/471690865.db2.gz HRDWFLNEKBEQEM-UHFFFAOYSA-N 0 0 345.453 2.898 10 10 EFCERN Cc1ccccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O ZINC000012767948 471794093 /nfs/dbraw/zinc/79/40/93/471794093.db2.gz LSTYBRWDYRFONL-QINSGFPZSA-N 0 0 348.493 2.528 10 10 EFCERN COc1c(C)cc2c(c1OC)C(=O)c1c(ccc(O)c1OC)C2=O ZINC000014760870 471878762 /nfs/dbraw/zinc/87/87/62/471878762.db2.gz QFHZGHHRWYACFG-UHFFFAOYSA-N 0 0 328.320 2.502 10 10 EFCERN COc1ccccc1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O ZINC000033294150 471981660 /nfs/dbraw/zinc/98/16/60/471981660.db2.gz GDEQYYSZNJEKNJ-UZTJDCKESA-N 0 0 328.397 2.970 10 10 EFCERN Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(Cl)c3)=N2)cc1 ZINC000020135593 471986861 /nfs/dbraw/zinc/98/68/61/471986861.db2.gz PHKFTISIVLWHSE-HNNXBMFYSA-N 0 0 341.798 2.995 10 10 EFCERN COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000042055072 472109199 /nfs/dbraw/zinc/10/91/99/472109199.db2.gz XBTGIPJPTJNXON-UHFFFAOYSA-N 0 0 332.375 2.915 10 10 EFCERN O=C(NCCC1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786296 472116118 /nfs/dbraw/zinc/11/61/18/472116118.db2.gz OMJIYEYWTXPVSW-UHFFFAOYSA-N 0 0 331.460 2.903 10 10 EFCERN COc1ccc(N(C)CCn2cnc3ccsc3c2=O)cc1OC ZINC000076091341 472268282 /nfs/dbraw/zinc/26/82/82/472268282.db2.gz UUZPZBSGAHMXFH-UHFFFAOYSA-N 0 0 345.424 2.612 10 10 EFCERN COC(=O)CCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000068955507 472269642 /nfs/dbraw/zinc/26/96/42/472269642.db2.gz GBNAHKNKJKIKQR-UHFFFAOYSA-N 0 0 329.400 2.562 10 10 EFCERN Cc1ccn2cc(CNC(=O)NCc3ccc(N(C)C)cc3)nc2c1 ZINC000056358537 472311370 /nfs/dbraw/zinc/31/13/70/472311370.db2.gz BSAXICYDGPZWQY-UHFFFAOYSA-N 0 0 337.427 2.708 10 10 EFCERN CCCc1noc([C@H](C)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000044584130 472320702 /nfs/dbraw/zinc/32/07/02/472320702.db2.gz MQTLXHONAMDDRP-AWEZNQCLSA-N 0 0 330.432 2.914 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000069567947 472371090 /nfs/dbraw/zinc/37/10/90/472371090.db2.gz NLFXESOCPJUCGE-UHFFFAOYSA-N 0 0 347.436 2.848 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccc(C)s3)CC2)cc1 ZINC000057182248 472392043 /nfs/dbraw/zinc/39/20/43/472392043.db2.gz SWVLEBOTEDYJMK-UHFFFAOYSA-N 0 0 330.453 2.956 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000097109660 472451849 /nfs/dbraw/zinc/45/18/49/472451849.db2.gz JTMQQZXMVZTLQW-IZPAUZPXSA-N 0 0 334.372 2.522 10 10 EFCERN CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000069869336 472454197 /nfs/dbraw/zinc/45/41/97/472454197.db2.gz NJUSVTICXBWYJW-UHFFFAOYSA-N 0 0 341.367 2.817 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)cc1F ZINC000069914554 472465325 /nfs/dbraw/zinc/46/53/25/472465325.db2.gz APXGWFZAEJGFGM-OAHLLOKOSA-N 0 0 348.447 2.633 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000069978011 472479350 /nfs/dbraw/zinc/47/93/50/472479350.db2.gz BLFULQVRKJFYGR-CYBMUJFWSA-N 0 0 330.384 2.542 10 10 EFCERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000154871329 472480330 /nfs/dbraw/zinc/48/03/30/472480330.db2.gz LZTFTHCTBUGSRF-SFHVURJKSA-N 0 0 333.476 2.739 10 10 EFCERN CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000154871418 472481218 /nfs/dbraw/zinc/48/12/18/472481218.db2.gz LZTFTHCTBUGSRF-GOSISDBHSA-N 0 0 333.476 2.739 10 10 EFCERN COc1cccc(CNC(=O)C[C@H]2CCOc3ccccc32)c1O ZINC000117972562 472484112 /nfs/dbraw/zinc/48/41/12/472484112.db2.gz ROGVQLDIMXTTSK-CYBMUJFWSA-N 0 0 327.380 2.973 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000119037713 472520904 /nfs/dbraw/zinc/52/09/04/472520904.db2.gz HBLRZKVFGHHDNU-UHFFFAOYSA-N 0 0 330.359 2.502 10 10 EFCERN Cc1noc(CCNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000119606245 472569199 /nfs/dbraw/zinc/56/91/99/472569199.db2.gz FUBGGXPNRNXJCL-UHFFFAOYSA-N 0 0 330.413 2.820 10 10 EFCERN CCCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c(O)c1 ZINC000119831925 472587951 /nfs/dbraw/zinc/58/79/51/472587951.db2.gz ZNKSACDJZDDBOJ-GOSISDBHSA-N 0 0 340.423 2.593 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc(OC)c3F)CC2)cc1 ZINC000090070446 472589557 /nfs/dbraw/zinc/58/95/57/472589557.db2.gz YVRFSKKBDOFASU-UHFFFAOYSA-N 0 0 344.386 2.805 10 10 EFCERN CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071889012 472601746 /nfs/dbraw/zinc/60/17/46/472601746.db2.gz BRTVQXZYYNYFMQ-QPGLYAHGSA-N 0 0 344.455 2.564 10 10 EFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000090223267 472609804 /nfs/dbraw/zinc/60/98/04/472609804.db2.gz SECBMYOVMLGNES-KSSFIOAISA-N 0 0 341.459 2.609 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000072526155 472672621 /nfs/dbraw/zinc/67/26/21/472672621.db2.gz VQIOVUDHUUYQOQ-HOTGVXAUSA-N 0 0 328.416 2.914 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1 ZINC000047321049 472689260 /nfs/dbraw/zinc/68/92/60/472689260.db2.gz WSWKIUPEVTUCNZ-UHFFFAOYSA-N 0 0 329.375 2.984 10 10 EFCERN C[C@H](C1CC1)n1nccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000156319210 472691613 /nfs/dbraw/zinc/69/16/13/472691613.db2.gz GQYYFTJDRYUQEB-LLVKDONJSA-N 0 0 330.388 2.630 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000156737419 472746456 /nfs/dbraw/zinc/74/64/56/472746456.db2.gz APQXTCMTYNJTGI-CHWSQXEVSA-N 0 0 333.334 2.838 10 10 EFCERN CN(C)c1ccc(CN2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000092015109 472842514 /nfs/dbraw/zinc/84/25/14/472842514.db2.gz OZGBOOLBAFFVPG-OAHLLOKOSA-N 0 0 330.457 2.812 10 10 EFCERN CN(C)c1ccc(CN2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000092015112 472842754 /nfs/dbraw/zinc/84/27/54/472842754.db2.gz OZGBOOLBAFFVPG-HNNXBMFYSA-N 0 0 330.457 2.812 10 10 EFCERN Oc1cc2c(cc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F)OCO2 ZINC000092094981 472856297 /nfs/dbraw/zinc/85/62/97/472856297.db2.gz HZXIODMJUHXJFI-DOMZBBRYSA-N 0 0 349.333 2.707 10 10 EFCERN COc1cccc(CNc2cncc(-n3nc(C)cc3C)n2)c1O ZINC000092649024 472951063 /nfs/dbraw/zinc/95/10/63/472951063.db2.gz DNMNPAGAQGBYDU-UHFFFAOYSA-N 0 0 325.372 2.605 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2O)cc1F ZINC000074163097 472953786 /nfs/dbraw/zinc/95/37/86/472953786.db2.gz ZQEGJQTYPCOXIW-PBHICJAKSA-N 0 0 337.439 2.632 10 10 EFCERN COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CCCO3)CC2)cc1 ZINC000065539022 472971443 /nfs/dbraw/zinc/97/14/43/472971443.db2.gz AUVIVJMGVIEGQR-SFHVURJKSA-N 0 0 347.459 2.532 10 10 EFCERN C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCO1 ZINC000065542137 472971460 /nfs/dbraw/zinc/97/14/60/472971460.db2.gz IBVJLDONDMDGRY-XJKSGUPXSA-N 0 0 345.468 2.863 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000122499040 473023166 /nfs/dbraw/zinc/02/31/66/473023166.db2.gz AAEIONUCGMVPPX-FQEVSTJZSA-N 0 0 342.487 2.939 10 10 EFCERN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000051092651 473025604 /nfs/dbraw/zinc/02/56/04/473025604.db2.gz BCTPSVBOUHJFDB-IBGZPJMESA-N 0 0 348.393 2.829 10 10 EFCERN Cc1nc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000074611594 473034932 /nfs/dbraw/zinc/03/49/32/473034932.db2.gz XHFSKPZDZLVGOJ-UHFFFAOYSA-N 0 0 343.431 2.710 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000074892793 473088812 /nfs/dbraw/zinc/08/88/12/473088812.db2.gz NVPRLDFUNYZRLF-HOTGVXAUSA-N 0 0 344.415 2.580 10 10 EFCERN CCN(CC)c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1F ZINC000093735402 473136691 /nfs/dbraw/zinc/13/66/91/473136691.db2.gz QGJRONHRRIKUBS-UHFFFAOYSA-N 0 0 342.480 2.681 10 10 EFCERN Cc1ccc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)o1 ZINC000093864807 473155813 /nfs/dbraw/zinc/15/58/13/473155813.db2.gz MEXUEDOTHZQNIH-FQEVSTJZSA-N 0 0 342.439 2.998 10 10 EFCERN CC(C)(C)c1cc([C@H]2NC(=O)[C@H]3COCCN32)c(O)c(C(C)(C)C)c1 ZINC000093883383 473156976 /nfs/dbraw/zinc/15/69/76/473156976.db2.gz ZNRCYDKZMARZGF-WBVHZDCISA-N 0 0 346.471 2.816 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1COc2ccccc21 ZINC000126283854 473505394 /nfs/dbraw/zinc/50/53/94/473505394.db2.gz HLKSFQVWCQNCMJ-GOSISDBHSA-N 0 0 335.407 2.996 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc2ccncc21 ZINC000185763248 473508551 /nfs/dbraw/zinc/50/85/51/473508551.db2.gz YMVPTHVYQIAFMQ-UHFFFAOYSA-N 0 0 334.379 2.735 10 10 EFCERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1O ZINC000185774596 473510574 /nfs/dbraw/zinc/51/05/74/473510574.db2.gz FMQQPRCKYINYNV-ZWNOBZJWSA-N 0 0 336.823 2.969 10 10 EFCERN CO[C@@H]1CC[C@@H]2OCCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000191451120 473541055 /nfs/dbraw/zinc/54/10/55/473541055.db2.gz MYCWEHHVSYCKEL-YVLXSGLVSA-N 0 0 329.799 2.953 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153890665 473647770 /nfs/dbraw/zinc/64/77/70/473647770.db2.gz UMORKALCMCOAFU-OAHLLOKOSA-N 0 0 345.443 2.594 10 10 EFCERN COc1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1O ZINC000179502013 473691345 /nfs/dbraw/zinc/69/13/45/473691345.db2.gz RSCYNMPCQZBPJF-UHFFFAOYSA-N 0 0 339.395 2.864 10 10 EFCERN Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000179685102 473708330 /nfs/dbraw/zinc/70/83/30/473708330.db2.gz YNLTWHCZGMBJBC-UHFFFAOYSA-N 0 0 338.879 2.898 10 10 EFCERN COC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024055 473727961 /nfs/dbraw/zinc/72/79/61/473727961.db2.gz ZWTKCHFORDPWHW-QWHCGFSZSA-N 0 0 342.386 2.656 10 10 EFCERN COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000187043644 473808165 /nfs/dbraw/zinc/80/81/65/473808165.db2.gz BBWIQUSZWJYTKX-CQSZACIVSA-N 0 0 327.380 2.954 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000269466523 473821058 /nfs/dbraw/zinc/82/10/58/473821058.db2.gz IEKPNMYISLEALZ-AWEZNQCLSA-N 0 0 336.457 2.636 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC000187403872 473868530 /nfs/dbraw/zinc/86/85/30/473868530.db2.gz AQLKJCNUPJAFKX-YJBOKZPZSA-N 0 0 331.460 2.853 10 10 EFCERN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187498178 473877980 /nfs/dbraw/zinc/87/79/80/473877980.db2.gz FKNYYLDDJXLUNC-HZPDHXFCSA-N 0 0 334.435 2.695 10 10 EFCERN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@@H]1C ZINC000188099782 473980737 /nfs/dbraw/zinc/98/07/37/473980737.db2.gz OTNZVOWAHXAPOE-SUMWQHHRSA-N 0 0 327.428 2.986 10 10 EFCERN CCN(CC)c1ccc(CNc2nc(-c3nccn3C)no2)cc1 ZINC000181534162 474044786 /nfs/dbraw/zinc/04/47/86/474044786.db2.gz LJVQYXYHKFDDBG-UHFFFAOYSA-N 0 0 326.404 2.928 10 10 EFCERN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cn[nH]c1 ZINC000270351029 474083376 /nfs/dbraw/zinc/08/33/76/474083376.db2.gz PNJWLMMVCWQICT-BBRMVZONSA-N 0 0 344.415 2.567 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000188468013 474103279 /nfs/dbraw/zinc/10/32/79/474103279.db2.gz RSPDBXYRXNUCIG-QGZVFWFLSA-N 0 0 330.432 2.798 10 10 EFCERN COC(=O)CCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000275308344 474140047 /nfs/dbraw/zinc/14/00/47/474140047.db2.gz OKWKKSOOOBTTRO-INIZCTEOSA-N 0 0 349.427 2.633 10 10 EFCERN CCC[C@]1(CO)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000289151850 474165848 /nfs/dbraw/zinc/16/58/48/474165848.db2.gz SXSGGHWBXZXMJK-FZMUQLTDSA-N 0 0 348.399 2.770 10 10 EFCERN CCOc1cccnc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188909297 474232306 /nfs/dbraw/zinc/23/23/06/474232306.db2.gz JMRFTTXOSCUQFO-UHFFFAOYSA-N 0 0 327.384 2.586 10 10 EFCERN COC(=O)COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000183793465 474430056 /nfs/dbraw/zinc/43/00/56/474430056.db2.gz GKYKRJBQNMBMRL-UHFFFAOYSA-N 0 0 342.395 2.622 10 10 EFCERN Cc1cc(O)c(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1C ZINC000271330798 474493994 /nfs/dbraw/zinc/49/39/94/474493994.db2.gz NCBPRKGOAMWXML-SJLPKXTDSA-N 0 0 331.412 2.927 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2CCc3ccccc3C2)c1O ZINC000266842855 474501526 /nfs/dbraw/zinc/50/15/26/474501526.db2.gz PCYPTJGTXRTNIY-MRXNPFEDSA-N 0 0 326.396 2.758 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189913241 474504778 /nfs/dbraw/zinc/50/47/78/474504778.db2.gz MNIVJFDFEFUICH-UHFFFAOYSA-N 0 0 332.835 2.968 10 10 EFCERN CCOCc1nc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276344 474564329 /nfs/dbraw/zinc/56/43/29/474564329.db2.gz WRZPGELHXCWUGE-MNOVXSKESA-N 0 0 349.387 2.510 10 10 EFCERN Cc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000290331503 474566639 /nfs/dbraw/zinc/56/66/39/474566639.db2.gz DTFZSDWMNVRUKA-CQSZACIVSA-N 0 0 337.828 2.972 10 10 EFCERN Cc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000290331499 474566998 /nfs/dbraw/zinc/56/69/98/474566998.db2.gz DTFZSDWMNVRUKA-AWEZNQCLSA-N 0 0 337.828 2.972 10 10 EFCERN CCOc1cccc(CN[C@H](C(=O)OC)c2cccc(O)c2)c1O ZINC000276754084 474569167 /nfs/dbraw/zinc/56/91/67/474569167.db2.gz LQPIILRWPODJIW-INIZCTEOSA-N 0 0 331.368 2.500 10 10 EFCERN COC(=O)[C@@H](CF)NCc1ccc(OCc2ccccc2)cc1O ZINC000290639789 474580892 /nfs/dbraw/zinc/58/08/92/474580892.db2.gz YKXSLCKBDNOQCO-MRXNPFEDSA-N 0 0 333.359 2.572 10 10 EFCERN C[C@@H]1COCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000277624090 474591545 /nfs/dbraw/zinc/59/15/45/474591545.db2.gz IUBTWEGYSLLIGC-DJIMGWMZSA-N 0 0 348.443 2.508 10 10 EFCERN COc1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278436377 474644432 /nfs/dbraw/zinc/64/44/32/474644432.db2.gz UVDRMKFIZRPEQP-UHFFFAOYSA-N 0 0 336.319 2.747 10 10 EFCERN COc1cc(O)c(CN2CCC(=O)Nc3ccccc32)cc1OC ZINC000291702550 474653304 /nfs/dbraw/zinc/65/33/04/474653304.db2.gz ZDKIPHSFPPYOPX-UHFFFAOYSA-N 0 0 328.368 2.758 10 10 EFCERN CO[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000292899189 474705649 /nfs/dbraw/zinc/70/56/49/474705649.db2.gz XGHJHPCDYOGICB-MOPGFXCFSA-N 0 0 346.471 2.687 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278604178 474732054 /nfs/dbraw/zinc/73/20/54/474732054.db2.gz FBSYZDSKQPZZFN-CQSZACIVSA-N 0 0 343.393 2.643 10 10 EFCERN CC(C)(C)CCc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000285048999 474875165 /nfs/dbraw/zinc/87/51/65/474875165.db2.gz HKPHBOMDRJWDKW-UHFFFAOYSA-N 0 0 339.417 2.792 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)ccc1[N+](=O)[O-] ZINC000278890064 474896020 /nfs/dbraw/zinc/89/60/20/474896020.db2.gz PPALCMHFFUXPEG-LBPRGKRZSA-N 0 0 345.355 2.577 10 10 EFCERN COC(=O)c1coc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000273467217 474914688 /nfs/dbraw/zinc/91/46/88/474914688.db2.gz JLZIBRFUYWOXGY-UHFFFAOYSA-N 0 0 342.395 2.937 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000273485468 474922862 /nfs/dbraw/zinc/92/28/62/474922862.db2.gz RJKQGWCUTXQDGS-DLBZAZTESA-N 0 0 333.476 2.691 10 10 EFCERN COc1cc(Cl)cc(CN(C)Cc2nc([C@H](C)OC)no2)c1O ZINC000273694706 475016674 /nfs/dbraw/zinc/01/66/74/475016674.db2.gz CAXQLZPWHCQAJK-VIFPVBQESA-N 0 0 341.795 2.777 10 10 EFCERN Cc1ccoc1C(=O)NCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293674977 475046859 /nfs/dbraw/zinc/04/68/59/475046859.db2.gz QYEFZLLLWGNBHG-UHFFFAOYSA-N 0 0 340.782 2.996 10 10 EFCERN COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(O)c1 ZINC000294747337 475080222 /nfs/dbraw/zinc/08/02/22/475080222.db2.gz XIRBCOWCQLXMQZ-GOSISDBHSA-N 0 0 328.412 2.771 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000295363382 475121458 /nfs/dbraw/zinc/12/14/58/475121458.db2.gz NYLDBOATFBNOCX-UHFFFAOYSA-N 0 0 342.842 2.729 10 10 EFCERN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521293 475127613 /nfs/dbraw/zinc/12/76/13/475127613.db2.gz ZYVDWZGBJZOOKD-HIFRSBDPSA-N 0 0 349.855 2.972 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-n2cccc2)ccn1 ZINC000342358242 475587939 /nfs/dbraw/zinc/58/79/39/475587939.db2.gz IONYEWPRGNDQAP-UHFFFAOYSA-N 0 0 348.406 2.978 10 10 EFCERN Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(C)n1-c1cccc(C)c1 ZINC000368607017 476359780 /nfs/dbraw/zinc/35/97/80/476359780.db2.gz XIFQQWXOMNFJNE-UHFFFAOYSA-N 0 0 335.411 2.691 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000368818879 476374877 /nfs/dbraw/zinc/37/48/77/476374877.db2.gz RLKJGEGXHHORJR-KOEDOTQGSA-N 0 0 331.412 2.919 10 10 EFCERN COc1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)c(O)c1 ZINC000373670304 476419852 /nfs/dbraw/zinc/41/98/52/476419852.db2.gz RMABLOWTPCLHMI-CYBMUJFWSA-N 0 0 327.380 2.973 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2noc(C)n2)cc1 ZINC000374814359 476541300 /nfs/dbraw/zinc/54/13/00/476541300.db2.gz ACKUUMVTHNXUOP-QGZVFWFLSA-N 0 0 330.432 2.798 10 10 EFCERN CCn1nccc1CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000374853056 476555645 /nfs/dbraw/zinc/55/56/45/476555645.db2.gz DWYBRNHIMBQWGO-UHFFFAOYSA-N 0 0 328.460 2.666 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377973403 476658925 /nfs/dbraw/zinc/65/89/25/476658925.db2.gz BFMVISHXNCIGFR-SUQGKYDKSA-N 0 0 348.399 2.626 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000378537827 476719468 /nfs/dbraw/zinc/71/94/68/476719468.db2.gz KSNGCPKRQNKVAU-DYLHUKMJSA-N 0 0 325.364 2.791 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000375262312 476743584 /nfs/dbraw/zinc/74/35/84/476743584.db2.gz SBQIDUZWQUCOSV-GOSISDBHSA-N 0 0 346.450 2.816 10 10 EFCERN COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C)c1O ZINC000370367987 476776568 /nfs/dbraw/zinc/77/65/68/476776568.db2.gz RIGHXMYKPRAGHU-ZIAGYGMSSA-N 0 0 327.808 2.506 10 10 EFCERN Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(-c2ccccn2)n1 ZINC000376827466 477520209 /nfs/dbraw/zinc/52/02/09/477520209.db2.gz ITHNFNNCZUJNQT-SOFGYWHQSA-N 0 0 336.351 2.545 10 10 EFCERN CNC(=O)c1ccc(N2CC=C(c3c(C)[nH]c4ccccc43)CC2)nn1 ZINC000368109912 477786250 /nfs/dbraw/zinc/78/62/50/477786250.db2.gz QPCURMHTZGGXHW-UHFFFAOYSA-N 0 0 347.422 2.920 10 10 EFCERN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000494992949 478099505 /nfs/dbraw/zinc/09/95/05/478099505.db2.gz BKZCSZBTZDEKSB-UHFFFAOYSA-N 0 0 343.337 2.774 10 10 EFCERN Cn1cc(-c2c[nH]cc2C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000494997327 478101941 /nfs/dbraw/zinc/10/19/41/478101941.db2.gz KGEURVYMRSGDQT-UHFFFAOYSA-N 0 0 328.322 2.896 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000528857299 478962259 /nfs/dbraw/zinc/96/22/59/478962259.db2.gz KTWBPEPOIRFGOX-MRXNPFEDSA-N 0 0 349.333 2.857 10 10 EFCERN O=C(Cn1ccc(C(F)F)n1)NCc1c(O)ccc2c1CCCC2 ZINC000528865829 478965190 /nfs/dbraw/zinc/96/51/90/478965190.db2.gz WGJCFXPRZLECEZ-UHFFFAOYSA-N 0 0 335.354 2.722 10 10 EFCERN COC(=O)Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000596066765 479116768 /nfs/dbraw/zinc/11/67/68/479116768.db2.gz QKKZIQRXRMIZNQ-UHFFFAOYSA-N 0 0 348.406 2.967 10 10 EFCERN C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000529499769 479180793 /nfs/dbraw/zinc/18/07/93/479180793.db2.gz ACLSBHRLBKGJIS-XHDPSFHLSA-N 0 0 335.201 2.730 10 10 EFCERN Cc1ccn2cnc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2c1 ZINC000611658144 479438792 /nfs/dbraw/zinc/43/87/92/479438792.db2.gz RBNKAYQSOICTHQ-UHFFFAOYSA-N 0 0 336.395 2.748 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(C(C)(C)C)n1 ZINC000653672641 481401143 /nfs/dbraw/zinc/40/11/43/481401143.db2.gz WAEOJSOZFLEPHM-UHFFFAOYSA-N 0 0 328.416 2.743 10 10 EFCERN Cn1c2ccc(OCCC3CS(=O)(=O)C3)cc2c2c1CCCC2 ZINC000647164398 481677679 /nfs/dbraw/zinc/67/76/79/481677679.db2.gz TXCKZYKAIHETLF-UHFFFAOYSA-N 0 0 333.453 2.871 10 10 EFCERN O=C(c1ccnc2c1CC(=O)N2)N1CC2(CCC2)c2c1cccc2F ZINC000667905036 481874742 /nfs/dbraw/zinc/87/47/42/481874742.db2.gz DVDMTDYRRIYUSU-UHFFFAOYSA-N 0 0 337.354 2.797 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCCOC2)CCCC1 ZINC000649695803 482193461 /nfs/dbraw/zinc/19/34/61/482193461.db2.gz JHAKSQLOPJHRRP-AWEZNQCLSA-N 0 0 342.439 2.824 10 10 EFCERN COC[C@H]1CCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000650055605 482380349 /nfs/dbraw/zinc/38/03/49/482380349.db2.gz STRMFXLDPVRMDP-CQSZACIVSA-N 0 0 342.439 2.776 10 10 EFCERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000065901784 534045466 /nfs/dbraw/zinc/04/54/66/534045466.db2.gz ULNVSSRXYJCKJZ-UHFFFAOYSA-N 0 0 345.830 2.710 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCO2 ZINC000178107665 534458061 /nfs/dbraw/zinc/45/80/61/534458061.db2.gz RZPHZCRRZIHHSQ-UHFFFAOYSA-N 0 0 328.368 2.787 10 10 EFCERN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186688537 527875178 /nfs/dbraw/zinc/87/51/78/527875178.db2.gz SYLMYOGWRMCHOL-MOPGFXCFSA-N 0 0 330.472 2.804 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000158556195 528147739 /nfs/dbraw/zinc/14/77/39/528147739.db2.gz CCTXUXPWLWUSHJ-CYBMUJFWSA-N 0 0 330.432 2.977 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000171903034 528303140 /nfs/dbraw/zinc/30/31/40/528303140.db2.gz OTRUHOYXZMUFKD-JWTNVVGKSA-N 0 0 331.460 2.730 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@H]2CCO[C@H]21 ZINC000246986705 535056923 /nfs/dbraw/zinc/05/69/23/535056923.db2.gz OVEZMYYKSMKEOC-ZTFGCOKTSA-N 0 0 344.455 2.884 10 10 EFCERN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccc(OC)cc2)c1 ZINC000275095912 535752837 /nfs/dbraw/zinc/75/28/37/535752837.db2.gz ASPJTXAOJBXVHB-SFHVURJKSA-N 0 0 345.395 2.803 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)ccc21 ZINC000246899565 536395778 /nfs/dbraw/zinc/39/57/78/536395778.db2.gz MAXIGOSSALYYHJ-KBAYOESNSA-N 0 0 343.471 2.682 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCC34CCOCC4)ccc21 ZINC000365617162 536396090 /nfs/dbraw/zinc/39/60/90/536396090.db2.gz WMLFZGMJCUTHDM-UHFFFAOYSA-N 0 0 329.444 2.534 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000366012237 536671741 /nfs/dbraw/zinc/67/17/41/536671741.db2.gz SXNHGQHMSLIZRQ-KRWDZBQOSA-N 0 0 348.487 2.921 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)cc1F ZINC000193684375 536689136 /nfs/dbraw/zinc/68/91/36/536689136.db2.gz CIEUPKRIAYOXAK-UHFFFAOYSA-N 0 0 346.406 2.643 10 10 EFCERN COc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1OC ZINC000190221833 536856392 /nfs/dbraw/zinc/85/63/92/536856392.db2.gz HWDCRMDYZVCADQ-GFCCVEGCSA-N 0 0 346.431 2.701 10 10 EFCERN COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)nc1 ZINC000680236472 549276709 /nfs/dbraw/zinc/27/67/09/549276709.db2.gz JAQZFVYZJQNLLZ-UHFFFAOYSA-N 0 0 328.372 2.587 10 10 EFCERN CCc1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)no1 ZINC000753892586 575355965 /nfs/dbraw/zinc/35/59/65/575355965.db2.gz VHUZLCHJXSXGHP-UHFFFAOYSA-N 0 0 348.378 2.739 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cccc4nccnc43)ccc21 ZINC000754202259 575405953 /nfs/dbraw/zinc/40/59/53/575405953.db2.gz UNVBIYQKYCDVHV-UHFFFAOYSA-N 0 0 332.407 2.942 10 10 EFCERN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730672 575479215 /nfs/dbraw/zinc/47/92/15/575479215.db2.gz VNYLPMJROZVREE-OAHLLOKOSA-N 0 0 329.400 2.843 10 10 EFCERN COc1cc(C)cc(CN2CCO[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729765 575479265 /nfs/dbraw/zinc/47/92/65/575479265.db2.gz GAJARLQSGZIDFZ-HNNXBMFYSA-N 0 0 345.399 2.543 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000755071344 575537317 /nfs/dbraw/zinc/53/73/17/575537317.db2.gz QOWBJICGKKNYPI-UHFFFAOYSA-N 0 0 347.484 2.639 10 10 EFCERN COc1cccc(CNC(=O)c2ccc3c(c2O)CCCC3)c1O ZINC000755532791 575597764 /nfs/dbraw/zinc/59/77/64/575597764.db2.gz SVWQUJHXBNLLJF-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2ccc3c(c2O)CCCC3)c1 ZINC000755535309 575597817 /nfs/dbraw/zinc/59/78/17/575597817.db2.gz YRMOJZBXSMJMLK-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(-n2ccnn2)cc1 ZINC000756110257 575685456 /nfs/dbraw/zinc/68/54/56/575685456.db2.gz PBDCBKNVRQJMRC-ZDUSSCGKSA-N 0 0 337.383 2.533 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756351640 575721582 /nfs/dbraw/zinc/72/15/82/575721582.db2.gz MMRFWQUCCJCHNG-WCQYABFASA-N 0 0 330.340 2.791 10 10 EFCERN C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392020 575729621 /nfs/dbraw/zinc/72/96/21/575729621.db2.gz GRLKSNMFCOEWJB-GFCCVEGCSA-N 0 0 339.355 2.732 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756508260 575751190 /nfs/dbraw/zinc/75/11/90/575751190.db2.gz GWAWHPFBJWMUIC-CPCISQLKSA-N 0 0 347.640 2.737 10 10 EFCERN CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573354 575764453 /nfs/dbraw/zinc/76/44/53/575764453.db2.gz AMZZVTSMXJOGRT-DCXZOGHSSA-N 0 0 338.242 2.713 10 10 EFCERN CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576926 575765000 /nfs/dbraw/zinc/76/50/00/575765000.db2.gz PLQSKWMBMZYOOL-DCXZOGHSSA-N 0 0 338.242 2.713 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000756615059 575768159 /nfs/dbraw/zinc/76/81/59/575768159.db2.gz VJJCFVXKIQSXDN-RYUDHWBXSA-N 0 0 345.443 2.811 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000756785178 575786626 /nfs/dbraw/zinc/78/66/26/575786626.db2.gz BJDJCPWGONUGHD-LBPRGKRZSA-N 0 0 345.443 2.813 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000756848883 575792086 /nfs/dbraw/zinc/79/20/86/575792086.db2.gz RLKJGEGXHHORJR-YPLUBFQTSA-N 0 0 331.412 2.919 10 10 EFCERN C[C@@H]([NH2+]CCCn1ccnn1)c1cc(Br)c(F)cc1[O-] ZINC000757658733 575848185 /nfs/dbraw/zinc/84/81/85/575848185.db2.gz SSMMSANKVBNRGO-SECBINFHSA-N 0 0 343.200 2.626 10 10 EFCERN C[C@@H](CN(Cc1ccco1)Cc1ccccc1O)CS(C)(=O)=O ZINC000757843581 575854356 /nfs/dbraw/zinc/85/43/56/575854356.db2.gz HGDYMSDAAOYITC-AWEZNQCLSA-N 0 0 337.441 2.668 10 10 EFCERN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000758168641 575861667 /nfs/dbraw/zinc/86/16/67/575861667.db2.gz DWNDPNVFFFQULY-UHFFFAOYSA-N 0 0 336.266 2.746 10 10 EFCERN O=C(Cn1cnc2c1CCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000758292213 575865719 /nfs/dbraw/zinc/86/57/19/575865719.db2.gz GNFDBTFQZOJMBZ-UHFFFAOYSA-N 0 0 339.439 2.663 10 10 EFCERN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000759174543 575886272 /nfs/dbraw/zinc/88/62/72/575886272.db2.gz VPKDFGHTORODDD-ZIAGYGMSSA-N 0 0 344.249 2.747 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2c(c1)OCCO2 ZINC000759593741 575905966 /nfs/dbraw/zinc/90/59/66/575905966.db2.gz JGHYNNYCLYLAGQ-ZZXKWVIFSA-N 0 0 328.320 2.626 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000759608579 575908336 /nfs/dbraw/zinc/90/83/36/575908336.db2.gz NIOMINHMPREPHR-IBGZPJMESA-N 0 0 341.407 2.945 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@H+](C)CCc2cnccn2)c1 ZINC000761215802 576130722 /nfs/dbraw/zinc/13/07/22/576130722.db2.gz UYHKJPCPJQORLX-UHFFFAOYSA-N 0 0 336.233 2.928 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@@H]1OC ZINC000761510569 576172742 /nfs/dbraw/zinc/17/27/42/576172742.db2.gz KDDHETPWVOAISW-NFAWXSAZSA-N 0 0 344.249 2.745 10 10 EFCERN Cc1cc([C@@H]2CCCN2c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)no1 ZINC000761877476 576224127 /nfs/dbraw/zinc/22/41/27/576224127.db2.gz XYJOQBVQRUIYNM-LBPRGKRZSA-N 0 0 344.327 2.564 10 10 EFCERN Cc1cc([C@H]2CCCN2c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)no1 ZINC000761877475 576224137 /nfs/dbraw/zinc/22/41/37/576224137.db2.gz XYJOQBVQRUIYNM-GFCCVEGCSA-N 0 0 344.327 2.564 10 10 EFCERN CCS(=O)(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762367282 576294713 /nfs/dbraw/zinc/29/47/13/576294713.db2.gz XTWNRAQAMYWBFM-UHFFFAOYSA-N 0 0 335.360 2.601 10 10 EFCERN COc1cc(C)cc(CN2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000763319658 576372448 /nfs/dbraw/zinc/37/24/48/576372448.db2.gz IOCAPJAIYRFTLT-UHFFFAOYSA-N 0 0 326.396 2.511 10 10 EFCERN COCc1nnc(NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000763329160 576372870 /nfs/dbraw/zinc/37/28/70/576372870.db2.gz GGJHXEJQEAXDLX-UHFFFAOYSA-N 0 0 348.472 2.505 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763488684 576379092 /nfs/dbraw/zinc/37/90/92/576379092.db2.gz CYURBNHKYKFROO-JEOXALJRSA-N 0 0 346.290 2.806 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763488687 576379100 /nfs/dbraw/zinc/37/91/00/576379100.db2.gz CYURBNHKYKFROO-NSPYISDASA-N 0 0 346.290 2.806 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(CO)c2)c1 ZINC000764157007 576437270 /nfs/dbraw/zinc/43/72/70/576437270.db2.gz IYBOCZDGLDCHTH-QWHCGFSZSA-N 0 0 345.395 2.538 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2sc3nccn3c2C)c1 ZINC000764156938 576437286 /nfs/dbraw/zinc/43/72/86/576437286.db2.gz HVKKFRSDACRWKA-VIFPVBQESA-N 0 0 331.397 2.909 10 10 EFCERN Cc1nnc2cc(NCc3ccc(N4CCSCC4)cc3)ncn12 ZINC000764391020 576454347 /nfs/dbraw/zinc/45/43/47/576454347.db2.gz DBTCIAKIWQUVHX-UHFFFAOYSA-N 0 0 340.456 2.598 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000764823337 576508265 /nfs/dbraw/zinc/50/82/65/576508265.db2.gz MSALFRWORXCNFQ-SOIVGHGOSA-N 0 0 334.372 2.521 10 10 EFCERN COc1cc(C)cc(CN2CCN(c3cccc(F)c3)C(=O)C2)c1O ZINC000764951343 576527532 /nfs/dbraw/zinc/52/75/32/576527532.db2.gz PPALKHWWFAZPAG-UHFFFAOYSA-N 0 0 344.386 2.697 10 10 EFCERN CCCN(CCC)c1ccc([C@@H]2NC(=O)[C@H]3CSCCN23)cc1 ZINC000765511865 577049401 /nfs/dbraw/zinc/04/94/01/577049401.db2.gz CUMMZUNFFDJFOV-IAGOWNOFSA-N 0 0 333.501 2.859 10 10 EFCERN Cc1cc(CCNC(=O)[C@@]2(O)CCSC2)c(C)n1-c1ccccc1 ZINC000765557459 577054231 /nfs/dbraw/zinc/05/42/31/577054231.db2.gz SNWDVCGBWKCMAH-LJQANCHMSA-N 0 0 344.480 2.621 10 10 EFCERN O=C(CCOCC1CC1)NCc1cccc(Br)c1O ZINC000765746032 577072117 /nfs/dbraw/zinc/07/21/17/577072117.db2.gz BTVLLZBUQDDXTI-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1 ZINC000767720010 577230058 /nfs/dbraw/zinc/23/00/58/577230058.db2.gz XLWBDCFLQUQRJS-UHFFFAOYSA-N 0 0 333.457 2.594 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1N ZINC000767724100 577230436 /nfs/dbraw/zinc/23/04/36/577230436.db2.gz DWTZXXKNHHWOAH-UHFFFAOYSA-N 0 0 347.484 2.934 10 10 EFCERN Cc1ccn(-c2ccccc2CNC(=O)NCc2ccccc2O)n1 ZINC000767964584 577245487 /nfs/dbraw/zinc/24/54/87/577245487.db2.gz VXYXCUCFEIDKLC-UHFFFAOYSA-N 0 0 336.395 2.886 10 10 EFCERN CCOc1cccc(CN2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000768139154 577257078 /nfs/dbraw/zinc/25/70/78/577257078.db2.gz CBCFTVNDWJLDNV-UHFFFAOYSA-N 0 0 327.428 2.811 10 10 EFCERN COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000768453916 577275260 /nfs/dbraw/zinc/27/52/60/577275260.db2.gz GJLWPTWYDOTNFB-HXUWFJFHSA-N 0 0 344.455 2.838 10 10 EFCERN COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000768925013 577316803 /nfs/dbraw/zinc/31/68/03/577316803.db2.gz HEJFDIFZLMDWMW-UHFFFAOYSA-N 0 0 344.386 2.951 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2ccc3nccn3c2)cc1F ZINC000738948988 577326324 /nfs/dbraw/zinc/32/63/24/577326324.db2.gz KPPYHPRQACQUOD-UHFFFAOYSA-N 0 0 327.363 2.861 10 10 EFCERN CN(Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769385254 577357468 /nfs/dbraw/zinc/35/74/68/577357468.db2.gz UQNVBVCDAKHGDK-UHFFFAOYSA-N 0 0 329.404 2.940 10 10 EFCERN COc1ccc(OC)c(NC(=S)NCc2cccc(OC)n2)c1 ZINC000726488568 577368842 /nfs/dbraw/zinc/36/88/42/577368842.db2.gz WSALWZNWFNBOLE-UHFFFAOYSA-N 0 0 333.413 2.594 10 10 EFCERN COC(=O)c1ccc(O)c([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000726797058 577387102 /nfs/dbraw/zinc/38/71/02/577387102.db2.gz YILBNSGTMBUBHR-CQSZACIVSA-N 0 0 332.743 2.686 10 10 EFCERN C[S@](=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000770220218 577407496 /nfs/dbraw/zinc/40/74/96/577407496.db2.gz AAXIZMGKXYITSU-DEOSSOPVSA-N 0 0 342.464 2.954 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc([S@](C)=O)c1 ZINC000770239502 577408440 /nfs/dbraw/zinc/40/84/40/577408440.db2.gz BTMSOTGBAONZRR-QHCPKHFHSA-N 0 0 330.453 2.728 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](CO)c1ccsc1 ZINC000770418524 577417019 /nfs/dbraw/zinc/41/70/19/577417019.db2.gz NREWPTLLXNGQEB-KRWDZBQOSA-N 0 0 343.452 2.657 10 10 EFCERN COc1n[nH]c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000770457359 577419820 /nfs/dbraw/zinc/41/98/20/577419820.db2.gz SYLILMKQNSPQJZ-UHFFFAOYSA-N 0 0 325.372 2.782 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752856 581133624 /nfs/dbraw/zinc/13/36/24/581133624.db2.gz VAPJRTURCGZDKB-SWLSCSKDSA-N 0 0 342.233 2.582 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@H](CO)c1ccsc1 ZINC000771336135 581200017 /nfs/dbraw/zinc/20/00/17/581200017.db2.gz GWBGDAHRQJOMSA-LLVKDONJSA-N 0 0 343.499 2.720 10 10 EFCERN Cc1cc(NC(=O)NCc2ccccc2O)n(C2CCOCC2)n1 ZINC000771516112 581219995 /nfs/dbraw/zinc/21/99/95/581219995.db2.gz ORBSDXVDLXCLRR-UHFFFAOYSA-N 0 0 330.388 2.570 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000771634758 581229263 /nfs/dbraw/zinc/22/92/63/581229263.db2.gz CKJHJZMVZGSXGW-QGZVFWFLSA-N 0 0 329.444 2.933 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)CCc2ccnn2C)cc1 ZINC000771856489 581250982 /nfs/dbraw/zinc/25/09/82/581250982.db2.gz UPEGWLOQRBFAOS-UHFFFAOYSA-N 0 0 328.460 2.858 10 10 EFCERN C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000772995406 581386371 /nfs/dbraw/zinc/38/63/71/581386371.db2.gz BHYNTJYSJOANRI-OAHLLOKOSA-N 0 0 349.434 2.945 10 10 EFCERN COc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084499 581395334 /nfs/dbraw/zinc/39/53/34/581395334.db2.gz QGLPESFTMAEPTA-AWEZNQCLSA-N 0 0 348.468 2.942 10 10 EFCERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773185418 581403257 /nfs/dbraw/zinc/40/32/57/581403257.db2.gz JVUJTEBLZZFCOA-ZDUSSCGKSA-N 0 0 343.475 2.706 10 10 EFCERN C[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773623432 581451554 /nfs/dbraw/zinc/45/15/54/581451554.db2.gz IQCXYCPHMSUMQS-KXBFYZLASA-N 0 0 341.455 2.716 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(n1)CCCC2 ZINC000773768428 581463245 /nfs/dbraw/zinc/46/32/45/581463245.db2.gz VHXHTRMAFPMXAK-GFCCVEGCSA-N 0 0 326.396 2.733 10 10 EFCERN CCN(C)c1ccc(CN[C@@H](C(=O)OC)c2cccc(O)c2)cc1 ZINC000773847666 581469250 /nfs/dbraw/zinc/46/92/50/581469250.db2.gz OYJQRLPDSOTLPQ-GOSISDBHSA-N 0 0 328.412 2.852 10 10 EFCERN CCN(C)c1ccc(CN[C@H](C(=O)OC)c2cccc(O)c2)cc1 ZINC000773847669 581469265 /nfs/dbraw/zinc/46/92/65/581469265.db2.gz OYJQRLPDSOTLPQ-SFHVURJKSA-N 0 0 328.412 2.852 10 10 EFCERN Fc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000774260869 581488338 /nfs/dbraw/zinc/48/83/38/581488338.db2.gz ZEAYNIZXDLWTSI-UHFFFAOYSA-N 0 0 346.431 2.544 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774941648 581504745 /nfs/dbraw/zinc/50/47/45/581504745.db2.gz BZVWOGOPDRSULH-HNNXBMFYSA-N 0 0 328.368 2.956 10 10 EFCERN CC(C)(C)OC(=O)CN1CC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850002207 1250216354 /nfs/dbraw/zinc/21/63/54/1250216354.db2.gz WIRSRYBQCSBSFN-MRVPVSSYSA-N 0 0 348.877 2.831 10 10 EFCERN CC[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001687155624 1247863479 /nfs/dbraw/zinc/86/34/79/1247863479.db2.gz SCUODLFMKLSKSF-RDJZCZTQSA-N 0 0 345.487 2.978 10 10 EFCERN Cc1nnc(N2CCC(F)(F)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707885252 1248068940 /nfs/dbraw/zinc/06/89/40/1248068940.db2.gz JBLUXWNGNZUDLI-UHFFFAOYSA-N 0 0 339.365 2.685 10 10 EFCERN O=S1(=O)CCCN1Cc1cccc(NCc2ccccc2O)c1 ZINC000850342907 1250440815 /nfs/dbraw/zinc/44/08/15/1250440815.db2.gz OJQHFRZDRVSUHH-UHFFFAOYSA-N 0 0 332.425 2.540 10 10 EFCERN Cc1ccc(O)c(CNc2cccc(CN3CCCS3(=O)=O)c2)c1 ZINC000850342967 1250440883 /nfs/dbraw/zinc/44/08/83/1250440883.db2.gz OXGMFEGNHBAIBV-UHFFFAOYSA-N 0 0 346.452 2.848 10 10 EFCERN COc1cc(C)c(C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000850352353 1250445693 /nfs/dbraw/zinc/44/56/93/1250445693.db2.gz SSZSDWJKDCULRI-UHFFFAOYSA-N 0 0 342.395 2.615 10 10 EFCERN COc1cc(Br)cc([C@@H](C)NCc2ncccn2)c1O ZINC000850550646 1250531813 /nfs/dbraw/zinc/53/18/13/1250531813.db2.gz BLBPTKIJWOIAII-SECBINFHSA-N 0 0 338.205 2.804 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(N)ccc3C)C2)cc1 ZINC000850754401 1250594869 /nfs/dbraw/zinc/59/48/69/1250594869.db2.gz UEUZUGITHMWLLY-OAHLLOKOSA-N 0 0 340.427 2.986 10 10 EFCERN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CC[C@@H](OC)C3)C2)cc1 ZINC000851099134 1250795221 /nfs/dbraw/zinc/79/52/21/1250795221.db2.gz OFSMIHJTCCGUPV-RLFYNMQTSA-N 0 0 333.428 2.880 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCN4)C2)cc1 ZINC000851639906 1251160677 /nfs/dbraw/zinc/16/06/77/1251160677.db2.gz MXSYWSRDVFEDSZ-INIZCTEOSA-N 0 0 337.423 2.672 10 10 EFCERN C[C@@H](COc1c(F)cccc1F)NC(=O)NCCc1ccc(N)cc1 ZINC000851662810 1251190692 /nfs/dbraw/zinc/19/06/92/1251190692.db2.gz KLIILEVNVXGZBE-LBPRGKRZSA-N 0 0 349.381 2.856 10 10 EFCERN CCCCC[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000851688304 1251209959 /nfs/dbraw/zinc/20/99/59/1251209959.db2.gz WLOYDUFTPSZQMZ-SFHVURJKSA-N 0 0 345.487 2.889 10 10 EFCERN O=C(COc1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000733888741 1265559583 /nfs/dbraw/zinc/55/95/83/1265559583.db2.gz KLNRIAABIZPSMX-UHFFFAOYSA-N 0 0 326.396 2.688 10 10 EFCERN CC[C@@H](C)C(=O)NC[C@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001746115324 1251559353 /nfs/dbraw/zinc/55/93/53/1251559353.db2.gz ZSNGKJHFTIYPOI-YPMHNXCESA-N 0 0 347.419 2.520 10 10 EFCERN CCOCc1nnc(N(C)C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001747016958 1251687283 /nfs/dbraw/zinc/68/72/83/1251687283.db2.gz JNRZJSICHMZCRM-UHFFFAOYSA-N 0 0 347.438 2.667 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(O)cc1 ZINC000733892315 1265778789 /nfs/dbraw/zinc/77/87/89/1265778789.db2.gz GAGMWGWZGPGJPQ-UHFFFAOYSA-N 0 0 328.412 2.886 10 10 EFCERN O=C(NCc1c(O)cccc1F)NCC1(c2ccccn2)CCC1 ZINC000922454350 1266060367 /nfs/dbraw/zinc/06/03/67/1266060367.db2.gz DUTKSJKACYSGMX-UHFFFAOYSA-N 0 0 329.375 2.847 10 10 EFCERN Cn1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c(Br)n1 ZINC000922468072 1266099177 /nfs/dbraw/zinc/09/91/77/1266099177.db2.gz MNGUNMMEKNQNGQ-UHFFFAOYSA-N 0 0 348.603 2.971 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000921641131 1257965119 /nfs/dbraw/zinc/96/51/19/1257965119.db2.gz VTFCIVBZIRDYFS-HFBAOOFYSA-N 0 0 334.391 2.678 10 10 EFCERN Fc1cc(CN[C@@H](c2ncccn2)C2CC2)ccc1N1CCOCC1 ZINC000922578602 1266307319 /nfs/dbraw/zinc/30/73/19/1266307319.db2.gz BPIVALCMZNRPJS-GOSISDBHSA-N 0 0 342.418 2.693 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000921696996 1261168717 /nfs/dbraw/zinc/16/87/17/1261168717.db2.gz FDNAZEPWOSLMEC-XBFCOCLRSA-N 0 0 342.461 2.710 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@]12C[C@H]1CCC2 ZINC000923335886 1261493396 /nfs/dbraw/zinc/49/33/96/1261493396.db2.gz GWYXUMLRGLJZCC-UZLBHIALSA-N 0 0 343.471 2.637 10 10 EFCERN COc1cccc([C@@H](CNC(=O)NCc2c(O)cccc2F)OC)c1 ZINC000923393099 1261598557 /nfs/dbraw/zinc/59/85/57/1261598557.db2.gz NPYIQXJKPGZQMB-QGZVFWFLSA-N 0 0 348.374 2.727 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@]23CCCC[C@H]2N(C)C(=O)CC3)cc1 ZINC000169791469 1263117051 /nfs/dbraw/zinc/11/70/51/1263117051.db2.gz ZCXOETVHXZKWQA-YLJYHZDGSA-N 0 0 343.471 2.550 10 10 EFCERN CC(C)OC(=O)[C@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000821912378 1265022334 /nfs/dbraw/zinc/02/23/34/1265022334.db2.gz OUDMQWCUWFERGV-SECBINFHSA-N 0 0 337.397 2.630 10 10 EFCERN CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000821912380 1265023171 /nfs/dbraw/zinc/02/31/71/1265023171.db2.gz OUDMQWCUWFERGV-VIFPVBQESA-N 0 0 337.397 2.630 10 10 EFCERN Fc1cc(CNc2cnn3ccccc23)ccc1N1CCOCC1 ZINC000922262134 1265146464 /nfs/dbraw/zinc/14/64/64/1265146464.db2.gz YSCDGVGSAOXKDR-UHFFFAOYSA-N 0 0 326.375 2.922 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922677925 1266582874 /nfs/dbraw/zinc/58/28/74/1266582874.db2.gz INHOJSUXGBJGEI-AAEUAGOBSA-N 0 0 334.294 2.890 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000922731035 1266700892 /nfs/dbraw/zinc/70/08/92/1266700892.db2.gz NOIOCRPLIFFUEZ-SUMWQHHRSA-N 0 0 345.374 2.646 10 10 EFCERN COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2c(O)cccc2F)c1 ZINC000922757577 1266743899 /nfs/dbraw/zinc/74/38/99/1266743899.db2.gz UJQBSSNXWSZXLI-XJKSGUPXSA-N 0 0 330.359 2.895 10 10 EFCERN O=C(Cn1ncc2ccccc21)NCCCSc1nccs1 ZINC000733973033 1266795685 /nfs/dbraw/zinc/79/56/85/1266795685.db2.gz QMQWSXLELVURCN-UHFFFAOYSA-N 0 0 332.454 2.791 10 10 EFCERN O=C(NCCCSc1nccs1)[C@H]1COc2ccccc2C1 ZINC000733972147 1266795944 /nfs/dbraw/zinc/79/59/44/1266795944.db2.gz AQFVPGHKIKUBGZ-CYBMUJFWSA-N 0 0 334.466 2.993 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000734069116 1266850384 /nfs/dbraw/zinc/85/03/84/1266850384.db2.gz LZIUQFXADNICLP-MRXNPFEDSA-N 0 0 326.396 2.758 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000734070181 1266852120 /nfs/dbraw/zinc/85/21/20/1266852120.db2.gz DCKCIVFHCRSHDA-MRXNPFEDSA-N 0 0 342.395 2.951 10 10 EFCERN O=C(NCCCSc1nccs1)c1cccc(-n2cncn2)c1 ZINC000734435896 1266978180 /nfs/dbraw/zinc/97/81/80/1266978180.db2.gz NFNVFWFXSIAHRP-UHFFFAOYSA-N 0 0 345.453 2.636 10 10 EFCERN COc1cccc(N2CCC[C@H](NC(=O)C3=CC(=O)CS3)C2)c1 ZINC000735327010 1267273295 /nfs/dbraw/zinc/27/32/95/1267273295.db2.gz UQEPSURCKJUFJZ-LBPRGKRZSA-N 0 0 332.425 2.861 10 10 EFCERN Cc1cc(CCNC(=O)N2CCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC000735756333 1267421168 /nfs/dbraw/zinc/42/11/68/1267421168.db2.gz SNRARULSUABSDP-IBGZPJMESA-N 0 0 341.455 2.803 10 10 EFCERN Cc1cc(CCNC(=O)N[C@@H](C)CCO)c(C)n1-c1ccccc1 ZINC000738968242 1268590554 /nfs/dbraw/zinc/59/05/54/1268590554.db2.gz CCDBTBKKIVYDIK-AWEZNQCLSA-N 0 0 329.444 2.707 10 10 EFCERN COc1c([O-])c(C[NH2+]C2CCC(OC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000825145233 1278428550 /nfs/dbraw/zinc/42/85/50/1278428550.db2.gz XOTZLICBPNZYOL-UHFFFAOYSA-N 0 0 346.330 2.949 10 10 EFCERN COC(=O)c1cc2ccccc2c(CN(C)Cc2ccon2)c1O ZINC000739880419 1268771126 /nfs/dbraw/zinc/77/11/26/1268771126.db2.gz QVOMVXNFNSKEMU-UHFFFAOYSA-N 0 0 326.352 2.952 10 10 EFCERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000825202174 1278461271 /nfs/dbraw/zinc/46/12/71/1278461271.db2.gz PNCBVIHWJSNTRX-ZWKOTPCHSA-N 0 0 336.501 2.684 10 10 EFCERN O=S1(=O)CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000825200741 1278477975 /nfs/dbraw/zinc/47/79/75/1278477975.db2.gz GYPIDNYLROMWGJ-MOPGFXCFSA-N 0 0 348.512 2.828 10 10 EFCERN COc1cc(N(C)CC(=O)Nc2ccccc2F)cc(OC)c1OC ZINC000741798961 1269712277 /nfs/dbraw/zinc/71/22/77/1269712277.db2.gz OTDZWCGHQIDBTI-UHFFFAOYSA-N 0 0 348.374 2.926 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000825425923 1278548076 /nfs/dbraw/zinc/54/80/76/1278548076.db2.gz OWPPLQMQJXBASL-HNAYVOBHSA-N 0 0 346.471 2.985 10 10 EFCERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1 ZINC000743259502 1270492852 /nfs/dbraw/zinc/49/28/52/1270492852.db2.gz BDEIPDZPHRGWFR-UHFFFAOYSA-N 0 0 335.381 2.596 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(F)CC1 ZINC000843532128 1278599232 /nfs/dbraw/zinc/59/92/32/1278599232.db2.gz AHFSKWQBNVHMFL-UHFFFAOYSA-N 0 0 346.324 2.660 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000843852725 1278609302 /nfs/dbraw/zinc/60/93/02/1278609302.db2.gz ZTZMDGMWWSYNTH-NSHDSACASA-N 0 0 337.416 2.513 10 10 EFCERN Cc1cc(Br)c(O)c(CN2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC000792192799 1278635389 /nfs/dbraw/zinc/63/53/89/1278635389.db2.gz QNMRPGOAKOHJHW-GHMZBOCLSA-N 0 0 346.290 2.804 10 10 EFCERN COc1cccc(CC(=O)N2CCOc3ccc(N(C)C)cc3C2)c1 ZINC000581789017 1271767926 /nfs/dbraw/zinc/76/79/26/1271767926.db2.gz BYMNCMUETWHLDH-UHFFFAOYSA-N 0 0 340.423 2.725 10 10 EFCERN COc1ccc(N(CCn2nc3ccccn3c2=O)CC(C)C)cc1 ZINC000746169956 1271873486 /nfs/dbraw/zinc/87/34/86/1271873486.db2.gz INOZOMUHQFUDIG-UHFFFAOYSA-N 0 0 340.427 2.667 10 10 EFCERN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000746234833 1271910430 /nfs/dbraw/zinc/91/04/30/1271910430.db2.gz VYNASJDQUKBDLP-OAHLLOKOSA-N 0 0 348.424 2.645 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccccc1C ZINC000844103417 1278755498 /nfs/dbraw/zinc/75/54/98/1278755498.db2.gz VSEGZFKOUUDAOL-OAHLLOKOSA-N 0 0 325.412 2.663 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cnn(-c2ccccc2)n1 ZINC000746492204 1273740820 /nfs/dbraw/zinc/74/08/20/1273740820.db2.gz CSOGYAJACXIIPH-UHFFFAOYSA-N 0 0 335.411 2.732 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1cccc(F)c1 ZINC000785775726 1275184937 /nfs/dbraw/zinc/18/49/37/1275184937.db2.gz FGXZBACFNMQXAU-UHFFFAOYSA-N 0 0 331.343 2.606 10 10 EFCERN COC(=O)CN(CCC(C)(C)OC)Cc1cc(Cl)ccc1O ZINC000787266249 1275740103 /nfs/dbraw/zinc/74/01/03/1275740103.db2.gz ZQZPYOOGNKGUAT-UHFFFAOYSA-N 0 0 329.824 2.836 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](O)CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC000787362515 1275758939 /nfs/dbraw/zinc/75/89/39/1275758939.db2.gz IAQIFKRLYXZQDA-MRXNPFEDSA-N 0 0 348.393 2.979 10 10 EFCERN Cc1cc(Br)c(O)c(CN2C[C@@H](O)CC(F)(F)C2)c1 ZINC000787437804 1275779180 /nfs/dbraw/zinc/77/91/80/1275779180.db2.gz DNWFGRIZQMSHMO-JTQLQIEISA-N 0 0 336.176 2.665 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@@H]1CCCOCC1 ZINC000787582781 1275816344 /nfs/dbraw/zinc/81/63/44/1275816344.db2.gz WLUPCJDTLCXJEF-SNVBAGLBSA-N 0 0 328.206 2.588 10 10 EFCERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c(O)c1 ZINC000788606625 1276238303 /nfs/dbraw/zinc/23/83/03/1276238303.db2.gz BDZGTOABPVTGSL-CQSZACIVSA-N 0 0 339.439 2.717 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC23CCSCC3)c1 ZINC000817775097 1276296697 /nfs/dbraw/zinc/29/66/97/1276296697.db2.gz ROWQDZFQSDSZOY-ZDUSSCGKSA-N 0 0 336.457 2.733 10 10 EFCERN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968004 1276410452 /nfs/dbraw/zinc/41/04/52/1276410452.db2.gz FVOXEAABULUDPO-VYUIOLGVSA-N 0 0 331.229 2.942 10 10 EFCERN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968002 1276410497 /nfs/dbraw/zinc/41/04/97/1276410497.db2.gz FVOXEAABULUDPO-MWODSPESSA-N 0 0 331.229 2.942 10 10 EFCERN CN(C[C@@H]1CCCO1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817909899 1276371007 /nfs/dbraw/zinc/37/10/07/1276371007.db2.gz BNFAQEQVKLLFGV-AWEZNQCLSA-N 0 0 331.441 2.567 10 10 EFCERN CO[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@H]1C ZINC000817996991 1276406457 /nfs/dbraw/zinc/40/64/57/1276406457.db2.gz IGKPKFKNOGKIRF-MLGOLLRUSA-N 0 0 345.468 2.813 10 10 EFCERN COc1nn(C)cc1NCc1cc(Br)cc(OC)c1O ZINC000788972342 1276420726 /nfs/dbraw/zinc/42/07/26/1276420726.db2.gz YMTXSMSOPKKPAF-UHFFFAOYSA-N 0 0 342.193 2.518 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c(O)c1O ZINC000818323248 1276506042 /nfs/dbraw/zinc/50/60/42/1276506042.db2.gz ZIVMYTHFYOZFNQ-JTQLQIEISA-N 0 0 332.303 2.896 10 10 EFCERN CN(C)c1ccc(/C=C/CNC2(c3ncccn3)CCOCC2)cc1 ZINC000923011619 1276522638 /nfs/dbraw/zinc/52/26/38/1276522638.db2.gz VSTHPUAEQXDNEH-HWKANZROSA-N 0 0 338.455 2.851 10 10 EFCERN C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C(=O)[O-] ZINC000818631676 1276541578 /nfs/dbraw/zinc/54/15/78/1276541578.db2.gz MPEVWRJUQVYKSP-TVQRCGJNSA-N 0 0 328.206 2.840 10 10 EFCERN C[C@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000808335754 1276564111 /nfs/dbraw/zinc/56/41/11/1276564111.db2.gz UXBYLXMXDFIIRX-LURJTMIESA-N 0 0 341.127 2.905 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCc2c1cccc2F ZINC000819164047 1276648618 /nfs/dbraw/zinc/64/86/18/1276648618.db2.gz FTUKOYMJXVKNEH-MRXNPFEDSA-N 0 0 340.354 2.983 10 10 EFCERN CCCN(CCC)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163517 1276649107 /nfs/dbraw/zinc/64/91/07/1276649107.db2.gz KKMPCUJEJPTHMY-SFHVURJKSA-N 0 0 344.459 2.962 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cn(C)nc2OC)cc1F ZINC000789323992 1276657347 /nfs/dbraw/zinc/65/73/47/1276657347.db2.gz LAXKOMVQNJBNDO-UHFFFAOYSA-N 0 0 349.410 2.736 10 10 EFCERN COc1ccc(N2CCC(NC(=O)/C=C/[C@H]3CCCO3)CC2)cc1 ZINC000819218767 1276693316 /nfs/dbraw/zinc/69/33/16/1276693316.db2.gz KJKLRRMOZBWAGQ-GFOMBABLSA-N 0 0 330.428 2.515 10 10 EFCERN C[C@H](CC(=O)NCc1cc(Br)ccc1O)n1cccn1 ZINC000819530205 1276805537 /nfs/dbraw/zinc/80/55/37/1276805537.db2.gz CYSQXNZTSWBLGC-SNVBAGLBSA-N 0 0 338.205 2.619 10 10 EFCERN CC(C)[C@@H](F)C(=O)NCc1cc(NC(=O)[C@H](F)C(C)C)ccc1O ZINC000923121184 1276828892 /nfs/dbraw/zinc/82/88/92/1276828892.db2.gz VTEOILQRYUAXAB-HUUCEWRRSA-N 0 0 342.386 2.935 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)c3cccnc3)C2)cc1 ZINC000819584655 1276829898 /nfs/dbraw/zinc/82/98/98/1276829898.db2.gz NZSAUSOWIQVNJF-HZPDHXFCSA-N 0 0 339.439 2.836 10 10 EFCERN COCC(C)(C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587288 1276830292 /nfs/dbraw/zinc/83/02/92/1276830292.db2.gz LDFMYSGFIQPFPQ-OAHLLOKOSA-N 0 0 334.460 2.700 10 10 EFCERN CCc1onc(C)c1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588479 1276831162 /nfs/dbraw/zinc/83/11/62/1276831162.db2.gz MTWWDVVTPTXKKZ-CQSZACIVSA-N 0 0 343.427 2.810 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](O)CC(C)(C)C)C2)cc1 ZINC000819591476 1276833242 /nfs/dbraw/zinc/83/32/42/1276833242.db2.gz SCPTWUKLUIENRV-NVXWUHKLSA-N 0 0 348.487 2.825 10 10 EFCERN C[C@H]1CCCN(C(=O)c2cccc(O)c2O)[C@H]1C(=O)OC(C)(C)C ZINC000819680692 1276875377 /nfs/dbraw/zinc/87/53/77/1276875377.db2.gz GILHWJUVYNPZPG-SMDDNHRTSA-N 0 0 335.400 2.680 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](CC)CC(F)F ZINC000819699968 1276877034 /nfs/dbraw/zinc/87/70/34/1276877034.db2.gz OVJHHUUGWKUZOY-GFCCVEGCSA-N 0 0 343.370 2.965 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000819973892 1276957641 /nfs/dbraw/zinc/95/76/41/1276957641.db2.gz DSDPXPBHIRTVKC-AEFFLSMTSA-N 0 0 334.460 2.543 10 10 EFCERN Nc1c(F)cccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001136282616 1276961364 /nfs/dbraw/zinc/96/13/64/1276961364.db2.gz RDZSJQUFVYILQF-UHFFFAOYSA-N 0 0 345.443 2.891 10 10 EFCERN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000828149575 1277134194 /nfs/dbraw/zinc/13/41/94/1277134194.db2.gz KSJMTFSLPRSUHB-GOSISDBHSA-N 0 0 330.472 2.948 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@]34C[C@H]3CCC4)C2)cc1 ZINC000923188564 1277178697 /nfs/dbraw/zinc/17/86/97/1277178697.db2.gz RVCKKZSUUCVRIU-CLCXKQKWSA-N 0 0 329.444 2.763 10 10 EFCERN CO[C@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000820509802 1277201601 /nfs/dbraw/zinc/20/16/01/1277201601.db2.gz OHCOIOOCFBACAN-OAHLLOKOSA-N 0 0 332.425 2.898 10 10 EFCERN CN1C(=O)C(=Cc2ccc(-c3cccc(F)c3F)o2)C(=O)N(C)C1=O ZINC000790096545 1277252374 /nfs/dbraw/zinc/25/23/74/1277252374.db2.gz DVDYZHYANDOGGR-UHFFFAOYSA-N 0 0 346.289 2.659 10 10 EFCERN Cc1c(S(=O)(=O)NCc2ccccc2O)c2ccccc2n1C ZINC000790213489 1277355550 /nfs/dbraw/zinc/35/55/50/1277355550.db2.gz OCHVYXCWPZKISB-UHFFFAOYSA-N 0 0 330.409 2.671 10 10 EFCERN CN(C)c1ccc(CN(C(=O)Cc2ccc(=O)[nH]c2)C2CC2)cc1 ZINC000821033567 1277408311 /nfs/dbraw/zinc/40/83/11/1277408311.db2.gz WICHSQHZCKPWSM-UHFFFAOYSA-N 0 0 325.412 2.587 10 10 EFCERN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000790415741 1277527623 /nfs/dbraw/zinc/52/76/23/1277527623.db2.gz KCVQUUFRYNGFAG-UHFFFAOYSA-N 0 0 349.408 2.850 10 10 EFCERN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000790416406 1277527862 /nfs/dbraw/zinc/52/78/62/1277527862.db2.gz WWYSTYWMHQFADM-UHFFFAOYSA-N 0 0 325.361 2.903 10 10 EFCERN C[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]2C[C@H]2C1 ZINC000815062493 1287288036 /nfs/dbraw/zinc/28/80/36/1287288036.db2.gz KZBDUSKKAOETSV-QWHZDKJVSA-N 0 0 332.419 2.715 10 10 EFCERN O=C(Cc1ccc(Cl)c(F)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000790719548 1277741209 /nfs/dbraw/zinc/74/12/09/1277741209.db2.gz UYNUSAZNXWWUSZ-UHFFFAOYSA-N 0 0 338.718 2.859 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)C(F)(F)C1CCOCC1 ZINC000790787765 1277774252 /nfs/dbraw/zinc/77/42/52/1277774252.db2.gz MCXNBKVHJAIQGF-UHFFFAOYSA-N 0 0 339.382 2.949 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815079550 1287302871 /nfs/dbraw/zinc/30/28/71/1287302871.db2.gz VOEDFXSFARISGJ-LJQANCHMSA-N 0 0 342.487 2.985 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815079546 1287303518 /nfs/dbraw/zinc/30/35/18/1287303518.db2.gz VOEDFXSFARISGJ-IBGZPJMESA-N 0 0 342.487 2.985 10 10 EFCERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000790886191 1277829619 /nfs/dbraw/zinc/82/96/19/1277829619.db2.gz GQLWEBOTTTVKLZ-LBPRGKRZSA-N 0 0 335.400 2.682 10 10 EFCERN Cc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC000815084029 1287307531 /nfs/dbraw/zinc/30/75/31/1287307531.db2.gz OMAFFWWEYLHBDQ-UHFFFAOYSA-N 0 0 326.400 2.923 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@@H](CCF)C2=O)c(C)n1-c1ccccc1 ZINC000844711117 1279192242 /nfs/dbraw/zinc/19/22/42/1279192242.db2.gz AAGNKOQQPXSLSX-KRWDZBQOSA-N 0 0 343.402 2.917 10 10 EFCERN CC1CCN(c2ccc(CN3C(=O)N[C@@H](CCF)C3=O)cc2)CC1 ZINC000844713175 1279192483 /nfs/dbraw/zinc/19/24/83/1279192483.db2.gz AMZWHIZLBGANPF-INIZCTEOSA-N 0 0 333.407 2.703 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccnc1F ZINC000792839147 1279207395 /nfs/dbraw/zinc/20/73/95/1279207395.db2.gz UALMEWNTLWOJOL-UHFFFAOYSA-N 0 0 328.391 2.820 10 10 EFCERN Cn1nccc1[C@@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000844758688 1279226965 /nfs/dbraw/zinc/22/69/65/1279226965.db2.gz UOBZRJBIESJECW-INIZCTEOSA-N 0 0 345.443 2.702 10 10 EFCERN Cc1cc(CCNC(=O)CC2OCCO2)c(C)n1-c1ccccc1 ZINC000792884911 1279234826 /nfs/dbraw/zinc/23/48/26/1279234826.db2.gz DFWFJQROMXEDHE-UHFFFAOYSA-N 0 0 328.412 2.516 10 10 EFCERN C[C@]1(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C[C@@]1(F)Cl ZINC000844736634 1279242108 /nfs/dbraw/zinc/24/21/08/1279242108.db2.gz WAAKJAACYBTZIE-HOTGVXAUSA-N 0 0 340.782 2.861 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)CCCc2ncc(C)o2)cc1 ZINC000844857324 1279288236 /nfs/dbraw/zinc/28/82/36/1279288236.db2.gz TYCDCACUNUWPAW-UHFFFAOYSA-N 0 0 345.443 2.909 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(C2(O)CC2)CC1 ZINC000844887463 1279317086 /nfs/dbraw/zinc/31/70/86/1279317086.db2.gz GUWINYPPTSHKQU-UHFFFAOYSA-N 0 0 343.471 2.733 10 10 EFCERN COc1ccc(CNC(=O)NCc2ccc3ccccc3n2)c(O)c1 ZINC000793022536 1279346833 /nfs/dbraw/zinc/34/68/33/1279346833.db2.gz QJBNTFHSTDBZHS-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000844938517 1279353266 /nfs/dbraw/zinc/35/32/66/1279353266.db2.gz VHGFEHZNZABMHL-CQSZACIVSA-N 0 0 335.404 2.880 10 10 EFCERN CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845004021 1279381378 /nfs/dbraw/zinc/38/13/78/1279381378.db2.gz VWIGFRSGNMNFPY-MAUKXSAKSA-N 0 0 331.460 2.659 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCC(C2(O)CC2)CC1 ZINC000845048135 1279415480 /nfs/dbraw/zinc/41/54/80/1279415480.db2.gz ZLUATCBTLZDISP-UHFFFAOYSA-N 0 0 341.502 2.572 10 10 EFCERN Cc1ccc(CN(CCO)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000793168635 1279416140 /nfs/dbraw/zinc/41/61/40/1279416140.db2.gz QOGRBKHRIKQZBN-HNNXBMFYSA-N 0 0 345.443 2.919 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845171176 1279473679 /nfs/dbraw/zinc/47/36/79/1279473679.db2.gz RNSITSIOBNNLDE-MFKMUULPSA-N 0 0 340.807 2.577 10 10 EFCERN O=C(NCCCc1nccs1)NCc1cc(Cl)ccc1O ZINC000845206108 1279494467 /nfs/dbraw/zinc/49/44/67/1279494467.db2.gz MSNAVYUMZIYNHN-UHFFFAOYSA-N 0 0 325.821 2.934 10 10 EFCERN CC[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000845265376 1279519177 /nfs/dbraw/zinc/51/91/77/1279519177.db2.gz KJROZECDJZROFZ-DOTOQJQBSA-N 0 0 349.475 2.730 10 10 EFCERN COCC1(CCNC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000845273770 1279522429 /nfs/dbraw/zinc/52/24/29/1279522429.db2.gz ATQAAESOAZIUCK-UHFFFAOYSA-N 0 0 349.475 2.590 10 10 EFCERN CCNC(=O)N(C)c1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000793318848 1279541211 /nfs/dbraw/zinc/54/12/11/1279541211.db2.gz USCKRKJUZNYRHU-UHFFFAOYSA-N 0 0 343.383 2.899 10 10 EFCERN CN1CCCc2cc(CNC(=O)C3(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000845337277 1279572760 /nfs/dbraw/zinc/57/27/60/1279572760.db2.gz YHAZUHPBLUZDQM-UHFFFAOYSA-N 0 0 344.455 2.807 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000845426094 1279618016 /nfs/dbraw/zinc/61/80/16/1279618016.db2.gz NMCVFYKTEXIWEI-KZULUSFZSA-N 0 0 348.443 2.966 10 10 EFCERN O=C(Cc1cn2c(n1)CCCC2)NCCCSc1nccs1 ZINC000845506040 1279690634 /nfs/dbraw/zinc/69/06/34/1279690634.db2.gz LBJJFAXOBDQVMS-UHFFFAOYSA-N 0 0 336.486 2.517 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnccc1CC ZINC000845931798 1279940762 /nfs/dbraw/zinc/94/07/62/1279940762.db2.gz YUHGQVPOSUBNIK-UHFFFAOYSA-N 0 0 341.411 2.727 10 10 EFCERN O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1cc(Cl)ccc1O ZINC000845995811 1279987456 /nfs/dbraw/zinc/98/74/56/1279987456.db2.gz HGASMXLSUVQQEC-JTQLQIEISA-N 0 0 339.791 2.900 10 10 EFCERN COCc1cnc(CN(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846051365 1280001562 /nfs/dbraw/zinc/00/15/62/1280001562.db2.gz GMZVPDCOVFHNOY-UHFFFAOYSA-N 0 0 335.473 2.866 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@H]2c2ccnn2C)cc1F ZINC000846116285 1280024156 /nfs/dbraw/zinc/02/41/56/1280024156.db2.gz RPSBJVBIMCPHAK-IBGZPJMESA-N 0 0 346.450 2.979 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CNc3ccccc3C2)cc1 ZINC000846198915 1280068065 /nfs/dbraw/zinc/06/80/65/1280068065.db2.gz KXMKTNIYYSZFHV-KRWDZBQOSA-N 0 0 338.455 2.931 10 10 EFCERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCc2ccc(F)cc21 ZINC000846327096 1280116021 /nfs/dbraw/zinc/11/60/21/1280116021.db2.gz HKMPRSOAAKLYNR-GFCCVEGCSA-N 0 0 341.386 2.535 10 10 EFCERN COc1ccc(CNC(=O)c2sc([C@@H](C)OC)nc2C)c(O)c1 ZINC000794374383 1280160218 /nfs/dbraw/zinc/16/02/18/1280160218.db2.gz RCSTZFWQAITYOY-SNVBAGLBSA-N 0 0 336.413 2.803 10 10 EFCERN COc1ccc(CNC(=O)c2ccnc(N3CC[C@H](C)C3)c2)c(O)c1 ZINC000794380656 1280161846 /nfs/dbraw/zinc/16/18/46/1280161846.db2.gz GKUGUTXNTROSGI-ZDUSSCGKSA-N 0 0 341.411 2.572 10 10 EFCERN COc1ccc(CNC(=O)CCC(=O)c2cccc(F)c2)c(O)c1 ZINC000794382134 1280162957 /nfs/dbraw/zinc/16/29/57/1280162957.db2.gz YFWJFLSZHLARKD-UHFFFAOYSA-N 0 0 331.343 2.819 10 10 EFCERN Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)c(O)c1O ZINC000846456385 1280174145 /nfs/dbraw/zinc/17/41/45/1280174145.db2.gz OTHUPQOYKXHAHJ-UHFFFAOYSA-N 0 0 335.400 2.600 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN1c1nccs1 ZINC000846477896 1280194008 /nfs/dbraw/zinc/19/40/08/1280194008.db2.gz XCEPHGYQPWRPTA-GFCCVEGCSA-N 0 0 337.832 2.787 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)OC[C@@H]1CCCO1 ZINC000805100971 1280440058 /nfs/dbraw/zinc/44/00/58/1280440058.db2.gz NANZOARMXINLKY-NSHDSACASA-N 0 0 330.178 2.560 10 10 EFCERN CSC[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805134716 1280454321 /nfs/dbraw/zinc/45/43/21/1280454321.db2.gz HAXIBEXQTHTKHQ-QMMMGPOBSA-N 0 0 333.251 2.705 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000846742402 1280470513 /nfs/dbraw/zinc/47/05/13/1280470513.db2.gz YDGYVPLFBUTJBS-HUUCEWRRSA-N 0 0 347.503 2.659 10 10 EFCERN C[C@]1(CNC(=O)NCc2cc(Br)ccc2O)CCCO1 ZINC000805192875 1280477715 /nfs/dbraw/zinc/47/77/15/1280477715.db2.gz NGJMSURPVMKVKR-CQSZACIVSA-N 0 0 343.221 2.523 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CC1)[C@H]1CCCCO1 ZINC000846785574 1280485309 /nfs/dbraw/zinc/48/53/09/1280485309.db2.gz HTEGHAVEWKFJLY-SJLPKXTDSA-N 0 0 344.411 2.504 10 10 EFCERN C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805252127 1280486590 /nfs/dbraw/zinc/48/65/90/1280486590.db2.gz XVJRHEHCKKYBPO-CABZTGNLSA-N 0 0 343.221 2.521 10 10 EFCERN Cc1cc(C(=O)NCc2cnn(C)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000805207732 1280488391 /nfs/dbraw/zinc/48/83/91/1280488391.db2.gz XOPANNXACAIJSH-UHFFFAOYSA-N 0 0 343.818 2.806 10 10 EFCERN CC[C@@H]([C@H]1CCCCO1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000846790093 1280490701 /nfs/dbraw/zinc/49/07/01/1280490701.db2.gz SRQVBNBLESUADR-GOEBONIOSA-N 0 0 332.400 2.504 10 10 EFCERN CC[C@H]([C@@H]1CCCCO1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000846790095 1280491766 /nfs/dbraw/zinc/49/17/66/1280491766.db2.gz SRQVBNBLESUADR-ZBFHGGJFSA-N 0 0 332.400 2.504 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCC=CO1 ZINC000805321668 1280510537 /nfs/dbraw/zinc/51/05/37/1280510537.db2.gz YPNZDTHDIPJQOH-LBPRGKRZSA-N 0 0 341.205 2.647 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccn(C(C)(C)C)n3)ccc21 ZINC000846843663 1280570174 /nfs/dbraw/zinc/57/01/74/1280570174.db2.gz TZXHQXLTPBTSKN-UHFFFAOYSA-N 0 0 326.444 2.951 10 10 EFCERN CC(=O)C(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000808508707 1281007810 /nfs/dbraw/zinc/00/78/10/1281007810.db2.gz BPEISNSBISQEOW-UHFFFAOYSA-N 0 0 329.786 2.840 10 10 EFCERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000806325989 1281041816 /nfs/dbraw/zinc/04/18/16/1281041816.db2.gz WSPBAOPQUBSKHK-RISCZKNCSA-N 0 0 345.365 2.614 10 10 EFCERN Cc1nnccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806416947 1281054774 /nfs/dbraw/zinc/05/47/74/1281054774.db2.gz VYAYESNWPFFNKH-UHFFFAOYSA-N 0 0 337.177 2.575 10 10 EFCERN O=C(Nc1ccc(-n2ccccc2=O)cc1F)C1=CC(=O)CS1 ZINC001147097186 1281104971 /nfs/dbraw/zinc/10/49/71/1281104971.db2.gz KLMZQCUYCNVBLK-UHFFFAOYSA-N 0 0 330.340 2.996 10 10 EFCERN Cc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C(N)=O ZINC001147425140 1281165715 /nfs/dbraw/zinc/16/57/15/1281165715.db2.gz WICYAEIOFOMSDS-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCSC1 ZINC000806910036 1281179138 /nfs/dbraw/zinc/17/91/38/1281179138.db2.gz PVZKDKWNCGYKFQ-LLVKDONJSA-N 0 0 345.262 2.850 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@]2(C1)CCCOC2 ZINC000806958123 1281181510 /nfs/dbraw/zinc/18/15/10/1281181510.db2.gz DUHRDCWKGCXSEC-HNNXBMFYSA-N 0 0 341.502 2.837 10 10 EFCERN C[C@](O)(C[C@H](O)CNc1ccccc1OC[C@H]1CCCCO1)C1CC1 ZINC000872211133 1287478919 /nfs/dbraw/zinc/47/89/19/1287478919.db2.gz YANPQBGCZXMWOJ-QKLQHJQFSA-N 0 0 349.471 2.958 10 10 EFCERN C[C@H](NC(=O)N1CCOC[C@H]1CC(F)F)c1ccc(N(C)C)cc1 ZINC000807141796 1281224809 /nfs/dbraw/zinc/22/48/09/1281224809.db2.gz VWSQZISRLPTVLJ-SWLSCSKDSA-N 0 0 341.402 2.879 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C(C)C ZINC000807271777 1281268569 /nfs/dbraw/zinc/26/85/69/1281268569.db2.gz MCVXCHYPRRPXGP-OAHLLOKOSA-N 0 0 333.476 2.509 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C(=O)NCC2(C)C)c(C)n1-c1cccc(C)c1 ZINC001148151946 1281430306 /nfs/dbraw/zinc/43/03/06/1281430306.db2.gz WUZROFLOXOGVMJ-QGZVFWFLSA-N 0 0 339.439 2.657 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](CO)c2cccnc2)cc1 ZINC000807850518 1281438619 /nfs/dbraw/zinc/43/86/19/1281438619.db2.gz OKEOIGFWOLDTPN-IBGZPJMESA-N 0 0 349.434 2.995 10 10 EFCERN Fc1cc(CN2CCO[C@@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254831 1287503651 /nfs/dbraw/zinc/50/36/51/1287503651.db2.gz DHKGPKYLHWIOEK-MRXNPFEDSA-N 0 0 344.377 2.518 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(CC(C)C)c1C ZINC000808094838 1281533326 /nfs/dbraw/zinc/53/33/26/1281533326.db2.gz GJPCAQFRBFQAKM-UHFFFAOYSA-N 0 0 336.432 2.969 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1CSCCS1 ZINC000808094698 1281533785 /nfs/dbraw/zinc/53/37/85/1281533785.db2.gz BPWGLSCOHOTVIK-NSHDSACASA-N 0 0 332.487 2.733 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc(C)nc2N)cc1 ZINC000808097740 1281535495 /nfs/dbraw/zinc/53/54/95/1281535495.db2.gz QTRNGOGCUKLZTL-UHFFFAOYSA-N 0 0 335.411 2.705 10 10 EFCERN O=S(=O)(Nc1ccc(O)cc1F)c1cccnc1C(F)(F)F ZINC000808105433 1281537715 /nfs/dbraw/zinc/53/77/15/1281537715.db2.gz FTHYKMZFMXZFNV-UHFFFAOYSA-N 0 0 336.266 2.746 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001148473858 1281566623 /nfs/dbraw/zinc/56/66/23/1281566623.db2.gz PSJQIATWVYQSBE-CMVWOBDISA-N 0 0 325.339 2.705 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001148473859 1281567204 /nfs/dbraw/zinc/56/72/04/1281567204.db2.gz PSJQIATWVYQSBE-MZBNLPAFSA-N 0 0 325.339 2.705 10 10 EFCERN CC(=O)C(=O)COC(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000808494709 1281737207 /nfs/dbraw/zinc/73/72/07/1281737207.db2.gz CTCWSBZNMHOCLF-UHFFFAOYSA-N 0 0 328.389 2.732 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 ZINC000808517147 1281748917 /nfs/dbraw/zinc/74/89/17/1281748917.db2.gz YARDLBACEWKOOG-UHFFFAOYSA-N 0 0 332.396 2.844 10 10 EFCERN CC(=O)C(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C ZINC000808514654 1281749663 /nfs/dbraw/zinc/74/96/63/1281749663.db2.gz NLJSMWLXUWMLMR-LBPRGKRZSA-N 0 0 341.363 2.546 10 10 EFCERN CC[C@H](Cc1ccccc1Br)C(=O)OCC(=O)C(C)=O ZINC000808527103 1281754228 /nfs/dbraw/zinc/75/42/28/1281754228.db2.gz YRUOIYUMEOFSBZ-LLVKDONJSA-N 0 0 341.201 2.719 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(CC(C)C)c1-c1ccccc1 ZINC000808541969 1281771154 /nfs/dbraw/zinc/77/11/54/1281771154.db2.gz XQXQDZIYWDAUGL-UHFFFAOYSA-N 0 0 328.368 2.521 10 10 EFCERN CCc1cc(C(=O)OCC(=O)C(C)=O)c2c(CC(C)(C)C)noc2n1 ZINC000808547084 1281774517 /nfs/dbraw/zinc/77/45/17/1281774517.db2.gz GBYDUTOIBIPAAD-UHFFFAOYSA-N 0 0 346.383 2.689 10 10 EFCERN CC(=O)C(=O)COC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000808548983 1281775658 /nfs/dbraw/zinc/77/56/58/1281775658.db2.gz UWYVXUIOUWCJJP-UHFFFAOYSA-N 0 0 337.422 2.851 10 10 EFCERN Cc1cccc(C[N@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1O ZINC000809769610 1282430622 /nfs/dbraw/zinc/43/06/22/1282430622.db2.gz PWTWDRXVLRCMNE-JKOKRWQUSA-N 0 0 344.377 2.978 10 10 EFCERN COC(=O)N(C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001132043178 1282789068 /nfs/dbraw/zinc/78/90/68/1282789068.db2.gz CCTOCYTXTLASIK-UHFFFAOYSA-N 0 0 343.427 2.717 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccc3c2CC(=O)CC3)cc1F ZINC000810266262 1283083542 /nfs/dbraw/zinc/08/35/42/1283083542.db2.gz YLBTZKGYQBKDSH-UHFFFAOYSA-N 0 0 340.398 2.880 10 10 EFCERN Cc1cc(CNC(=O)c2cn(C)ccc2=O)c(C)n1-c1ccccc1 ZINC001132267579 1283222155 /nfs/dbraw/zinc/22/21/55/1283222155.db2.gz KOUIHGXMBIXVEX-UHFFFAOYSA-N 0 0 335.407 2.723 10 10 EFCERN CCc1c(C(=O)NCc2cc(Br)ccc2O)ccn1C ZINC000811523193 1284371635 /nfs/dbraw/zinc/37/16/35/1284371635.db2.gz LVWJAMSSNTXBNS-UHFFFAOYSA-N 0 0 337.217 2.986 10 10 EFCERN Fc1cc(CNc2nnc(C(F)(F)F)o2)ccc1N1CCOCC1 ZINC000811836248 1284667463 /nfs/dbraw/zinc/66/74/63/1284667463.db2.gz KRXFXCTXYINJFH-UHFFFAOYSA-N 0 0 346.284 2.676 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NOC/C=C\Cl ZINC000811979934 1284768773 /nfs/dbraw/zinc/76/87/73/1284768773.db2.gz JWJVXKQSXODKKD-RJRFIUFISA-N 0 0 335.585 2.638 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NOC/C=C/Cl ZINC000811979932 1284769029 /nfs/dbraw/zinc/76/90/29/1284769029.db2.gz JWJVXKQSXODKKD-DAFODLJHSA-N 0 0 335.585 2.638 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000812512254 1285205496 /nfs/dbraw/zinc/20/54/96/1285205496.db2.gz SPHUBJWNIJPTAA-HNNXBMFYSA-N 0 0 343.393 2.704 10 10 EFCERN CC(=O)C(=O)COC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000812612512 1285290898 /nfs/dbraw/zinc/29/08/98/1285290898.db2.gz QHKDOWSONCLLBW-QMMMGPOBSA-N 0 0 345.164 2.783 10 10 EFCERN O=C(NCCCCF)NCc1ccc(N2CCSCC2)cc1 ZINC000812876279 1285481624 /nfs/dbraw/zinc/48/16/24/1285481624.db2.gz BQHUAKIZMIOLKK-UHFFFAOYSA-N 0 0 325.453 2.789 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000812884782 1285485704 /nfs/dbraw/zinc/48/57/04/1285485704.db2.gz ATVNQUSWDCIJQC-GOSISDBHSA-N 0 0 345.487 2.978 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000747828354 1285498692 /nfs/dbraw/zinc/49/86/92/1285498692.db2.gz UFIWWEQNVPMXSJ-IRXDYDNUSA-N 0 0 331.460 2.711 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cn(C)nc2C2CC2)c1 ZINC000812997424 1285574499 /nfs/dbraw/zinc/57/44/99/1285574499.db2.gz UTTYHBVVGNLOCM-SNVBAGLBSA-N 0 0 330.388 2.894 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N3CC(C4CC4)C3)CC2)cc1 ZINC000813059186 1285621410 /nfs/dbraw/zinc/62/14/10/1285621410.db2.gz UMIHULDVCWCZAW-UHFFFAOYSA-N 0 0 329.444 2.715 10 10 EFCERN C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001171717179 1285737956 /nfs/dbraw/zinc/73/79/56/1285737956.db2.gz MBWKCQXIIOPMKV-LLVKDONJSA-N 0 0 340.339 2.528 10 10 EFCERN C[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC001171730159 1285747004 /nfs/dbraw/zinc/74/70/04/1285747004.db2.gz LNDLZUJFPHYSHZ-ZDUSSCGKSA-N 0 0 335.363 2.638 10 10 EFCERN CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000822553610 1289030175 /nfs/dbraw/zinc/03/01/75/1289030175.db2.gz LHFWTTHEXIDRFY-DOTOQJQBSA-N 0 0 334.485 2.671 10 10 EFCERN O=C(C[C@H](O)Cc1ccccc1)NCCCSc1nccs1 ZINC000813450757 1285915280 /nfs/dbraw/zinc/91/52/80/1285915280.db2.gz BBVUDEATCQFCNW-CQSZACIVSA-N 0 0 336.482 2.735 10 10 EFCERN C[C@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000813424304 1285920203 /nfs/dbraw/zinc/92/02/03/1285920203.db2.gz KVFWNPDLHGYQAN-YJBOKZPZSA-N 0 0 348.487 2.888 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1CC(=O)CC2 ZINC000813512942 1285957027 /nfs/dbraw/zinc/95/70/27/1285957027.db2.gz CIYPVJOKGYUHBS-GFCCVEGCSA-N 0 0 339.391 2.517 10 10 EFCERN COc1ccc2c(n1)N(C)CCN2C(=O)/C=C\c1ccc(Cl)nc1 ZINC001133970649 1286175873 /nfs/dbraw/zinc/17/58/73/1286175873.db2.gz CXBBPPCJQCDXKY-YWEYNIOJSA-N 0 0 344.802 2.635 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(F)n3)C2)cc1 ZINC000822651273 1289065192 /nfs/dbraw/zinc/06/51/92/1289065192.db2.gz XAAOOGWQRFTMEX-LBPRGKRZSA-N 0 0 330.363 2.630 10 10 EFCERN Cn1cc(CC(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)n1 ZINC000814407035 1286583149 /nfs/dbraw/zinc/58/31/49/1286583149.db2.gz AIYZJHYHYRNZLR-UHFFFAOYSA-N 0 0 346.862 2.923 10 10 EFCERN CN(C)c1ccc(CN(C(=O)Cc2cn(C)nc2Cl)C2CC2)cc1 ZINC000814459677 1286622944 /nfs/dbraw/zinc/62/29/44/1286622944.db2.gz YVPIBNVBDWTKRV-UHFFFAOYSA-N 0 0 346.862 2.873 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001136621043 1289092934 /nfs/dbraw/zinc/09/29/34/1289092934.db2.gz JMPPNEPFQCVKEE-UHFFFAOYSA-N 0 0 346.814 2.643 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC34CC4)cc2F)C[C@@H](C)O1 ZINC000822729354 1289093953 /nfs/dbraw/zinc/09/39/53/1289093953.db2.gz VVWOBPNQWVZTGC-XNJGSVPQSA-N 0 0 347.434 2.791 10 10 EFCERN COc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl ZINC000814552123 1286769409 /nfs/dbraw/zinc/76/94/09/1286769409.db2.gz BNBLACNYYQPKBW-UHFFFAOYSA-N 0 0 336.727 2.800 10 10 EFCERN OCC1CCN(c2ccc(CNc3ccnc4cccnc43)cc2)CC1 ZINC000814825798 1287059532 /nfs/dbraw/zinc/05/95/32/1287059532.db2.gz KSAPWYQTVXWTNX-UHFFFAOYSA-N 0 0 348.450 2.873 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1c1ccc2c(n1)CCCC2 ZINC000871640737 1287185779 /nfs/dbraw/zinc/18/57/79/1287185779.db2.gz KTCUEMNWQMVEGE-UHFFFAOYSA-N 0 0 337.379 2.635 10 10 EFCERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC000815836030 1287851641 /nfs/dbraw/zinc/85/16/41/1287851641.db2.gz OALJSXPZCRONDB-GFCCVEGCSA-N 0 0 348.424 2.687 10 10 EFCERN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000822898814 1289147328 /nfs/dbraw/zinc/14/73/28/1289147328.db2.gz SYRZICAHIVTYBA-WMZOPIPTSA-N 0 0 334.460 2.541 10 10 EFCERN CCCN(CCC)C(=O)CCCC(=O)NCc1cc(O)ccc1O ZINC001176748542 1288094089 /nfs/dbraw/zinc/09/40/89/1288094089.db2.gz WCVRUDAYWDSYKQ-UHFFFAOYSA-N 0 0 336.432 2.533 10 10 EFCERN OC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC001176927559 1288176942 /nfs/dbraw/zinc/17/69/42/1288176942.db2.gz SVFJSRBIHQWWQV-IBGZPJMESA-N 0 0 348.393 2.625 10 10 EFCERN Cn1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000816555033 1288210967 /nfs/dbraw/zinc/21/09/67/1288210967.db2.gz RGTFLBMGIBYMQE-LBPRGKRZSA-N 0 0 338.814 2.677 10 10 EFCERN Cn1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000816555032 1288211172 /nfs/dbraw/zinc/21/11/72/1288211172.db2.gz RGTFLBMGIBYMQE-GFCCVEGCSA-N 0 0 338.814 2.677 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573715 1288213285 /nfs/dbraw/zinc/21/32/85/1288213285.db2.gz IRGQLRAMRPTBBY-RYUDHWBXSA-N 0 0 345.798 2.727 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]1n1cccn1 ZINC000816671877 1288239399 /nfs/dbraw/zinc/23/93/99/1288239399.db2.gz JVBBDXZMGHQGEB-KFWWJZLASA-N 0 0 339.798 2.890 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1 ZINC001135726515 1288300117 /nfs/dbraw/zinc/30/01/17/1288300117.db2.gz VAALQOYMSNWMRJ-GFCCVEGCSA-N 0 0 338.367 2.830 10 10 EFCERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1cccc(C)c1 ZINC000816920891 1288313698 /nfs/dbraw/zinc/31/36/98/1288313698.db2.gz GEMHTEBURFXCJO-UHFFFAOYSA-N 0 0 328.412 2.548 10 10 EFCERN COc1cc(CC(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC000816938735 1288346267 /nfs/dbraw/zinc/34/62/67/1288346267.db2.gz IYDNPTGYMQZTRZ-UHFFFAOYSA-N 0 0 326.396 2.534 10 10 EFCERN CCCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001720078890 1288369284 /nfs/dbraw/zinc/36/92/84/1288369284.db2.gz KWJSLZDMDBNSTC-GFCCVEGCSA-N 0 0 347.419 2.521 10 10 EFCERN CCOC(=O)C(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001135800376 1288391399 /nfs/dbraw/zinc/39/13/99/1288391399.db2.gz DLZPFYRYQVPWFV-UHFFFAOYSA-N 0 0 332.444 2.835 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCn2cncc2C1 ZINC001135800651 1288392357 /nfs/dbraw/zinc/39/23/57/1288392357.db2.gz KRWPRMGCVTZMOP-QGZVFWFLSA-N 0 0 338.455 2.704 10 10 EFCERN CCn1cncc1S(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817152338 1288444590 /nfs/dbraw/zinc/44/45/90/1288444590.db2.gz ZMBCQKVVQVMRHI-UHFFFAOYSA-N 0 0 333.413 2.779 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3C[C@@H](O)CC[C@@H]3C)cc2)CC1 ZINC000817159647 1288445916 /nfs/dbraw/zinc/44/59/16/1288445916.db2.gz LVXWSDBKUFXDMS-LPHOPBHVSA-N 0 0 345.487 2.978 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](O)CC12CCC2 ZINC000817162342 1288446344 /nfs/dbraw/zinc/44/63/44/1288446344.db2.gz SGUZVHQJLXDJPD-GOSISDBHSA-N 0 0 341.455 2.652 10 10 EFCERN CN(Cc1nn(C)cc1Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000817275567 1288520107 /nfs/dbraw/zinc/52/01/07/1288520107.db2.gz QXROQINGOJDRIW-UHFFFAOYSA-N 0 0 334.851 2.542 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817428849 1288604847 /nfs/dbraw/zinc/60/48/47/1288604847.db2.gz YNDDZNIWDDYTJV-XHSDSOJGSA-N 0 0 332.419 2.715 10 10 EFCERN Cc1ccccc1[C@H](CO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177948027 1288610214 /nfs/dbraw/zinc/61/02/14/1288610214.db2.gz FIQPJTQKXISTML-INIZCTEOSA-N 0 0 340.383 2.963 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1csc(Br)c1 ZINC001136472430 1288760599 /nfs/dbraw/zinc/76/05/99/1288760599.db2.gz BYRNSOVAMZWEST-UHFFFAOYSA-N 0 0 342.214 2.781 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnc2cc(F)c(F)cc2c1O ZINC001178412818 1288780748 /nfs/dbraw/zinc/78/07/48/1288780748.db2.gz GPCIIVBDRZWQMH-UHFFFAOYSA-N 0 0 348.280 2.581 10 10 EFCERN COC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001178586792 1288817551 /nfs/dbraw/zinc/81/75/51/1288817551.db2.gz YHOZYDRZVVXLNC-QGZVFWFLSA-N 0 0 346.402 2.721 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000822115524 1288875212 /nfs/dbraw/zinc/87/52/12/1288875212.db2.gz BELQQLTXSJPELS-KOMQPUFPSA-N 0 0 342.395 2.810 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3nccn3C(C)C)CC2)cc1 ZINC001136546417 1288892612 /nfs/dbraw/zinc/89/26/12/1288892612.db2.gz HXVVTGSDINXFMS-UHFFFAOYSA-N 0 0 342.443 2.871 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 ZINC001136565993 1288923360 /nfs/dbraw/zinc/92/33/60/1288923360.db2.gz RSTNNTIDQVAVKN-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN COc1cn(C)nc1[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001178937006 1288974146 /nfs/dbraw/zinc/97/41/46/1288974146.db2.gz PNDKVSVKZYHQDW-MRVPVSSYSA-N 0 0 347.396 2.546 10 10 EFCERN C[C@@H]1CCCN(c2cc(C(=O)NCc3c(O)cccc3O)ccn2)C1 ZINC001178912437 1288978868 /nfs/dbraw/zinc/97/88/68/1288978868.db2.gz TXMGQYDTYHJQQG-CYBMUJFWSA-N 0 0 341.411 2.659 10 10 EFCERN C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000823292729 1289273040 /nfs/dbraw/zinc/27/30/40/1289273040.db2.gz RAWRESGUTYGLSR-OAHLLOKOSA-N 0 0 328.412 2.611 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)C1CC2(CC2(F)F)C1 ZINC000823292286 1289273243 /nfs/dbraw/zinc/27/32/43/1289273243.db2.gz NEOXDYSGURWJCX-UHFFFAOYSA-N 0 0 336.382 2.575 10 10 EFCERN CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823530140 1289325423 /nfs/dbraw/zinc/32/54/23/1289325423.db2.gz AFXZYTBIPHLTNC-OAHLLOKOSA-N 0 0 343.471 2.755 10 10 EFCERN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823530139 1289325790 /nfs/dbraw/zinc/32/57/90/1289325790.db2.gz AFXZYTBIPHLTNC-HNNXBMFYSA-N 0 0 343.471 2.755 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(F)nc3F)C2)cc1 ZINC000823542256 1289329605 /nfs/dbraw/zinc/32/96/05/1289329605.db2.gz FKXCFXSHQMRBCV-NSHDSACASA-N 0 0 348.353 2.769 10 10 EFCERN C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1F ZINC000823543106 1289330423 /nfs/dbraw/zinc/33/04/23/1289330423.db2.gz PNOSVURKNSEGMH-KBXCAEBGSA-N 0 0 349.450 2.537 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCc3ncc(C)o3)CC2)cc1 ZINC000823553239 1289372773 /nfs/dbraw/zinc/37/27/73/1289372773.db2.gz AJJRBFKRGYRUNO-UHFFFAOYSA-N 0 0 343.427 2.663 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](C)[C@H](F)C3)C2)cc1 ZINC000823725815 1289434825 /nfs/dbraw/zinc/43/48/25/1289434825.db2.gz INSMXPDXJYOJRW-HDMKZQKVSA-N 0 0 349.450 2.911 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](C)[C@@H](F)C3)C2)cc1 ZINC000823725817 1289434905 /nfs/dbraw/zinc/43/49/05/1289434905.db2.gz INSMXPDXJYOJRW-RKVPGOIHSA-N 0 0 349.450 2.911 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2ccc3c(c2)NCC3)cc1F ZINC000823747470 1289436016 /nfs/dbraw/zinc/43/60/16/1289436016.db2.gz BJEIZPMBYMJWOL-UHFFFAOYSA-N 0 0 327.403 2.719 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O ZINC000823775693 1289446655 /nfs/dbraw/zinc/44/66/55/1289446655.db2.gz YHAOWJZEJKTENV-HYVNUMGLSA-N 0 0 342.370 2.677 10 10 EFCERN CO[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000823835400 1289463534 /nfs/dbraw/zinc/46/35/34/1289463534.db2.gz YVLGYYUKHDJCOV-KDOFPFPSSA-N 0 0 332.444 2.516 10 10 EFCERN C[C@H](NC(=O)[C@]12C[C@H]1COC2(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835318 1289464303 /nfs/dbraw/zinc/46/43/03/1289464303.db2.gz WSCCXCALCOXSPV-UVFQYZLESA-N 0 0 344.455 2.516 10 10 EFCERN COc1ccc([C@@H](C)CCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001136784554 1289465339 /nfs/dbraw/zinc/46/53/39/1289465339.db2.gz WSTZTCXGTLFHBC-ZDUSSCGKSA-N 0 0 329.396 2.959 10 10 EFCERN CCc1cc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000824199294 1289566301 /nfs/dbraw/zinc/56/63/01/1289566301.db2.gz OSDQOFRIRXWQNN-CYBMUJFWSA-N 0 0 344.415 2.894 10 10 EFCERN CN(c1ccc(CNC(=O)c2cn(C)c(=O)[nH]2)cc1)C1CCCCC1 ZINC000824250367 1289588867 /nfs/dbraw/zinc/58/88/67/1289588867.db2.gz APLKAKXRUNLGFG-UHFFFAOYSA-N 0 0 342.443 2.825 10 10 EFCERN CN(c1ccc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1)C1CCCCC1 ZINC000824250873 1289589754 /nfs/dbraw/zinc/58/97/54/1289589754.db2.gz HOBVJHFQGVFNRO-BWTSREIZSA-N 0 0 328.456 2.964 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCCCC2)cc1)n1cccn1 ZINC000824261707 1289592791 /nfs/dbraw/zinc/59/27/91/1289592791.db2.gz IWDMGFDEAZBKSJ-UHFFFAOYSA-N 0 0 326.444 2.925 10 10 EFCERN O=C(Cc1ccc(=O)[nH]c1)NCc1ccc(N2CCCCC2)cc1 ZINC000824261325 1289593036 /nfs/dbraw/zinc/59/30/36/1289593036.db2.gz ARGGTQUHDLZDCW-UHFFFAOYSA-N 0 0 325.412 2.636 10 10 EFCERN CN(CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1O ZINC000824534350 1289685627 /nfs/dbraw/zinc/68/56/27/1289685627.db2.gz CFRYUGIQLCHPBM-UHFFFAOYSA-N 0 0 329.238 2.501 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)C(C)C)CCCC1 ZINC001181716044 1289912920 /nfs/dbraw/zinc/91/29/20/1289912920.db2.gz FEKXZPPYUUVSRT-KRWDZBQOSA-N 0 0 344.455 2.662 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccccc1N1CCCC1=O ZINC001184348756 1290450621 /nfs/dbraw/zinc/45/06/21/1290450621.db2.gz TYSLLVNJPJVQKL-UHFFFAOYSA-N 0 0 328.343 2.588 10 10 EFCERN CNC(=O)c1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000125689067 1290744918 /nfs/dbraw/zinc/74/49/18/1290744918.db2.gz HNLACNUWPPPWQU-UHFFFAOYSA-N 0 0 344.411 2.708 10 10 EFCERN COc1cc(N(C)Cc2cn3ccccc3n2)cc(OC)c1OC ZINC000125727437 1290775467 /nfs/dbraw/zinc/77/54/67/1290775467.db2.gz BDHDPNJATWWWEC-UHFFFAOYSA-N 0 0 327.384 2.997 10 10 EFCERN COc1c([O-])c(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000775038555 1290994672 /nfs/dbraw/zinc/99/46/72/1290994672.db2.gz VNOVGNCLRRIHMW-WFASDCNBSA-N 0 0 338.404 2.730 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001187332895 1291146792 /nfs/dbraw/zinc/14/67/92/1291146792.db2.gz BXEVGXZDXWYJEN-SOFGYWHQSA-N 0 0 339.351 2.780 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001187332896 1291146878 /nfs/dbraw/zinc/14/68/78/1291146878.db2.gz BXEVGXZDXWYJEN-VURMDHGXSA-N 0 0 339.351 2.780 10 10 EFCERN CO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000795673715 1291160482 /nfs/dbraw/zinc/16/04/82/1291160482.db2.gz FYPJPHLNAWEREJ-GASCZTMLSA-N 0 0 341.407 2.938 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000877990936 1291440722 /nfs/dbraw/zinc/44/07/22/1291440722.db2.gz CPEXQYUMFIQFMI-HKUYNNGSSA-N 0 0 328.456 2.918 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCc2cc(C)cc(OC)c2)c1 ZINC000126874605 1291466351 /nfs/dbraw/zinc/46/63/51/1291466351.db2.gz DRYGMMHCTWYAHT-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncsc1C1CC1 ZINC000878387278 1291657656 /nfs/dbraw/zinc/65/76/56/1291657656.db2.gz VKXJHGDEYOQLHY-UHFFFAOYSA-N 0 0 343.452 2.787 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1F ZINC000879117896 1291976131 /nfs/dbraw/zinc/97/61/31/1291976131.db2.gz AKNLVQONGFFMPG-HOCLYGCPSA-N 0 0 332.419 2.919 10 10 EFCERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1Cl ZINC000826099926 1292006991 /nfs/dbraw/zinc/00/69/91/1292006991.db2.gz JZSWJCYOSNWCHA-HIFRSBDPSA-N 0 0 329.849 2.506 10 10 EFCERN C[C@@H](NC(=O)c1cc(-n2ccnc2)ccn1)c1ccc(N(C)C)cc1 ZINC000775403872 1292269440 /nfs/dbraw/zinc/26/94/40/1292269440.db2.gz LBJSATFPYCQPNQ-CQSZACIVSA-N 0 0 335.411 2.824 10 10 EFCERN C[C@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)c1ccccc1O ZINC001151891857 1292307513 /nfs/dbraw/zinc/30/75/13/1292307513.db2.gz BRHMQRLCEWIMGT-WDEREUQCSA-N 0 0 326.352 2.603 10 10 EFCERN CCCCC[C@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000832446527 1292329072 /nfs/dbraw/zinc/32/90/72/1292329072.db2.gz XHBDQMPEKNFNPJ-ZDUSSCGKSA-N 0 0 330.222 2.712 10 10 EFCERN COC(=O)c1ccc2[nH]c(CN(C)Cc3ccccc3O)nc2c1 ZINC001191682123 1292600689 /nfs/dbraw/zinc/60/06/89/1292600689.db2.gz MGPZCUOAQANKRR-UHFFFAOYSA-N 0 0 325.368 2.687 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CC(C)(C)CO1 ZINC001191682776 1292610349 /nfs/dbraw/zinc/61/03/49/1292610349.db2.gz SMSQMVAFXUODGC-AWEZNQCLSA-N 0 0 341.835 2.836 10 10 EFCERN C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000101658136 1293806125 /nfs/dbraw/zinc/80/61/25/1293806125.db2.gz DWFDNHKOPFCKDO-OAHLLOKOSA-N 0 0 340.423 2.649 10 10 EFCERN COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(N(C)C)c(C)c1 ZINC001195565990 1293970275 /nfs/dbraw/zinc/97/02/75/1293970275.db2.gz DFHOBTLPOKJNCH-GOSISDBHSA-N 0 0 326.440 2.935 10 10 EFCERN COC1(CS(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000867125919 1294007777 /nfs/dbraw/zinc/00/77/77/1294007777.db2.gz PQQZGWUJUVJVKY-AWEZNQCLSA-N 0 0 340.489 2.692 10 10 EFCERN COC(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)cc2)c1 ZINC001195819372 1294049962 /nfs/dbraw/zinc/04/99/62/1294049962.db2.gz ZHVYJASHEPGVBG-UHFFFAOYSA-N 0 0 328.368 2.557 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C3=NC[C@H](C)S3)CC2)c1O ZINC000775718799 1294254332 /nfs/dbraw/zinc/25/43/32/1294254332.db2.gz PEYPXVNJQNCNRQ-LBPRGKRZSA-N 0 0 339.892 2.963 10 10 EFCERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC000775739786 1294356370 /nfs/dbraw/zinc/35/63/70/1294356370.db2.gz RWFRAMVNZHZZTG-SNPRPXQTSA-N 0 0 329.799 2.953 10 10 EFCERN CCN(C)c1ccc(C[N@@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001197169178 1294472284 /nfs/dbraw/zinc/47/22/84/1294472284.db2.gz WYFCIOZUYCTWNL-INIZCTEOSA-N 0 0 343.393 2.786 10 10 EFCERN COC[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000886359310 1294887990 /nfs/dbraw/zinc/88/79/90/1294887990.db2.gz ANHIHHAIQOHXSH-JSGCOSHPSA-N 0 0 344.249 2.686 10 10 EFCERN COc1cccc(CNC(=O)NCc2c(F)cc(F)cc2F)c1O ZINC001687545639 1295008252 /nfs/dbraw/zinc/00/82/52/1295008252.db2.gz XLUIJYJVJUWKCS-UHFFFAOYSA-N 0 0 340.301 2.818 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000867301832 1295420078 /nfs/dbraw/zinc/42/00/78/1295420078.db2.gz FXKXZOJLWITTED-SWLSCSKDSA-N 0 0 327.380 2.539 10 10 EFCERN CCCCCC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295421918 1295597338 /nfs/dbraw/zinc/59/73/38/1295597338.db2.gz DIIVHICKROONDO-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000304439624 1295627628 /nfs/dbraw/zinc/62/76/28/1295627628.db2.gz WBIXRUQHIGDZGQ-PMOLBWCYSA-N 0 0 342.483 2.948 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c(O)c1O ZINC000925308437 1296821883 /nfs/dbraw/zinc/82/18/83/1296821883.db2.gz QJLOSGCBLYQCFU-HNNXBMFYSA-N 0 0 340.379 3.000 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@H](c2ncccn2)C2CC2)cc1 ZINC000925436228 1296836158 /nfs/dbraw/zinc/83/61/58/1296836158.db2.gz WASFXAYDTRKBLC-KRWDZBQOSA-N 0 0 339.443 2.835 10 10 EFCERN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000927039589 1296980434 /nfs/dbraw/zinc/98/04/34/1296980434.db2.gz PNFPDAWIEXESIY-FLTXBFBQSA-N 0 0 327.421 2.680 10 10 EFCERN CCc1noc([C@H]2CC[C@H](NC(=O)N(C)Cc3ccccc3O)C2)n1 ZINC000927345619 1297009564 /nfs/dbraw/zinc/00/95/64/1297009564.db2.gz JWKQQLIDXAIDAB-JSGCOSHPSA-N 0 0 344.415 2.815 10 10 EFCERN CO[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1 ZINC000928491542 1297108191 /nfs/dbraw/zinc/10/81/91/1297108191.db2.gz ULFFLFZEJBLFQM-HNNXBMFYSA-N 0 0 339.438 2.564 10 10 EFCERN O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1c(O)cccc1F ZINC000928709913 1297125704 /nfs/dbraw/zinc/12/57/04/1297125704.db2.gz NSJQCXBPCMOWOL-UHFFFAOYSA-N 0 0 339.317 2.859 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000929405862 1297180155 /nfs/dbraw/zinc/18/01/55/1297180155.db2.gz RXWVVTNPHFOKDO-UONOGXRCSA-N 0 0 330.350 2.869 10 10 EFCERN Cc1cn2c(n1)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000776239862 1297225744 /nfs/dbraw/zinc/22/57/44/1297225744.db2.gz WPZINAFWJRPNFZ-CQSZACIVSA-N 0 0 327.432 2.544 10 10 EFCERN CN(CC(=O)N1CCOC(C)(C)C1)c1ccc(-c2nccs2)cc1 ZINC000930710584 1297283921 /nfs/dbraw/zinc/28/39/21/1297283921.db2.gz UYUZZXWKTKUFSO-UHFFFAOYSA-N 0 0 345.468 2.884 10 10 EFCERN COCCc1ccnc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC000931384975 1297333366 /nfs/dbraw/zinc/33/33/66/1297333366.db2.gz CBQAOSMHVPORRE-UHFFFAOYSA-N 0 0 335.791 2.951 10 10 EFCERN COc1ccc(N2CCCN(C(=O)Nc3ccnnc3C)CC2)cc1 ZINC000776488769 1299309434 /nfs/dbraw/zinc/30/94/34/1299309434.db2.gz VQQCNUDBLPEXLF-UHFFFAOYSA-N 0 0 341.415 2.538 10 10 EFCERN COCCN(CC[C@@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851846837 1299430827 /nfs/dbraw/zinc/43/08/27/1299430827.db2.gz JCMMQHGYLSVHIP-OAHLLOKOSA-N 0 0 339.432 2.698 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccccc3)C2)cc1 ZINC000851905107 1299458513 /nfs/dbraw/zinc/45/85/13/1299458513.db2.gz HWHKPKNKQGUYEK-QGZVFWFLSA-N 0 0 339.439 2.816 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000851988076 1299492859 /nfs/dbraw/zinc/49/28/59/1299492859.db2.gz RYMTXRWXVDPYPR-CVEARBPZSA-N 0 0 331.460 2.996 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N[C@H](CO)C3CCC3)cc2)CC1 ZINC000852079270 1299539259 /nfs/dbraw/zinc/53/92/59/1299539259.db2.gz AKTRCUXUSLLQAI-LJQANCHMSA-N 0 0 345.487 2.883 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H](CO)C2CCC2)cc1F ZINC000852082185 1299541233 /nfs/dbraw/zinc/54/12/33/1299541233.db2.gz HTFIAHLUUKXKCF-MRXNPFEDSA-N 0 0 337.439 2.632 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1F ZINC000852085948 1299542108 /nfs/dbraw/zinc/54/21/08/1299542108.db2.gz ZVUSFHRDALDFAU-BEFAXECRSA-N 0 0 349.450 2.850 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1F ZINC000852085950 1299542274 /nfs/dbraw/zinc/54/22/74/1299542274.db2.gz ZVUSFHRDALDFAU-DNVCBOLYSA-N 0 0 349.450 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H](SC)C3)C2)cc1 ZINC000852154156 1299569415 /nfs/dbraw/zinc/56/94/15/1299569415.db2.gz NTOLUCOPQLXWDM-ZQIUZPCESA-N 0 0 349.500 2.857 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)SC)C2)cc1 ZINC000852162176 1299572081 /nfs/dbraw/zinc/57/20/81/1299572081.db2.gz WKKURDJXVREGEC-ZDUSSCGKSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N(C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000852208065 1299597223 /nfs/dbraw/zinc/59/72/23/1299597223.db2.gz BMFOXPBRHLEFRX-INIZCTEOSA-N 0 0 336.432 2.767 10 10 EFCERN COC(=O)C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852260904 1299620505 /nfs/dbraw/zinc/62/05/05/1299620505.db2.gz GHHSWFQDCHGHTI-XJKSGUPXSA-N 0 0 347.459 2.702 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NOC3CCCCC3)C2)cc1 ZINC000852267545 1299623641 /nfs/dbraw/zinc/62/36/41/1299623641.db2.gz VOPYVSKAAIXSMC-CQSZACIVSA-N 0 0 333.432 2.837 10 10 EFCERN CCOC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852273946 1299626969 /nfs/dbraw/zinc/62/69/69/1299626969.db2.gz AJALUHIYTXRTSJ-QAPCUYQASA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCS3)C2)cc1 ZINC000852284001 1299630899 /nfs/dbraw/zinc/63/08/99/1299630899.db2.gz FAMJJWVLUMIMHR-YOEHRIQHSA-N 0 0 349.500 2.859 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCC3)C2)cc1 ZINC000852286994 1299632910 /nfs/dbraw/zinc/63/29/10/1299632910.db2.gz QRWAFDNUFLQOGW-AWEZNQCLSA-N 0 0 349.500 2.859 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCSC3)C2)cc1 ZINC000852339828 1299667985 /nfs/dbraw/zinc/66/79/85/1299667985.db2.gz WZSHEDQDLJYENG-CABCVRRESA-N 0 0 349.500 2.716 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCSC3)C2)cc1 ZINC000852339834 1299668207 /nfs/dbraw/zinc/66/82/07/1299668207.db2.gz WZSHEDQDLJYENG-LSDHHAIUSA-N 0 0 349.500 2.716 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(OC)CCCC3)C2)cc1 ZINC000852359786 1299676177 /nfs/dbraw/zinc/67/61/77/1299676177.db2.gz NNXGNRBASNWGEO-OAHLLOKOSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CC(C)C)OC)C2)cc1 ZINC000852384596 1299683734 /nfs/dbraw/zinc/68/37/34/1299683734.db2.gz FGIPMPLWAQJTMN-MAUKXSAKSA-N 0 0 349.475 2.634 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000852397981 1299689777 /nfs/dbraw/zinc/68/97/77/1299689777.db2.gz XTJNVCLGGNJNIY-BRWVUGGUSA-N 0 0 343.471 2.636 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@@H](F)C3)C2)cc1 ZINC000852456487 1299710730 /nfs/dbraw/zinc/71/07/30/1299710730.db2.gz YITIEMMTBJPKRV-KEYYUXOJSA-N 0 0 335.423 2.663 10 10 EFCERN CC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCS1 ZINC000852454491 1299710775 /nfs/dbraw/zinc/71/07/75/1299710775.db2.gz PFLCXIUCKUPXNC-PBHICJAKSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3CSC)C2)cc1 ZINC000852455209 1299710922 /nfs/dbraw/zinc/71/09/22/1299710922.db2.gz SJQKTWHFIPTURG-GOEBONIOSA-N 0 0 349.500 2.811 10 10 EFCERN CC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCS1 ZINC000852454497 1299710960 /nfs/dbraw/zinc/71/09/60/1299710960.db2.gz PFLCXIUCKUPXNC-YOEHRIQHSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnccc2C)c1 ZINC000852493426 1299725779 /nfs/dbraw/zinc/72/57/79/1299725779.db2.gz MKDIDLQRHRBUIT-ZDUSSCGKSA-N 0 0 329.400 2.707 10 10 EFCERN Cc1ccncc1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000852494189 1299726301 /nfs/dbraw/zinc/72/63/01/1299726301.db2.gz XQHZBSBQMHWQDY-UHFFFAOYSA-N 0 0 326.444 2.806 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000852537010 1299745758 /nfs/dbraw/zinc/74/57/58/1299745758.db2.gz MRWYREHUOHHNKX-MGPUTAFESA-N 0 0 342.414 2.873 10 10 EFCERN CC(C)(C)OC(=O)[C@H](CNC(=O)NCc1ccccc1O)C1CCC1 ZINC000852719573 1299831305 /nfs/dbraw/zinc/83/13/05/1299831305.db2.gz MAMLRFGKOGLBMR-OAHLLOKOSA-N 0 0 348.443 2.949 10 10 EFCERN Cc1cc(CC(=O)OCC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000853106297 1300010280 /nfs/dbraw/zinc/01/02/80/1300010280.db2.gz VRNWKFVCJWZYIW-UHFFFAOYSA-N 0 0 328.412 2.704 10 10 EFCERN C[C@H](O)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000853244480 1300064365 /nfs/dbraw/zinc/06/43/65/1300064365.db2.gz MNEPSFPWJPKMHU-KSSFIOAISA-N 0 0 327.428 2.674 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ccon3)CC2)cc1 ZINC000853244882 1300064484 /nfs/dbraw/zinc/06/44/84/1300064484.db2.gz QOVOFKKZMRAWKM-UHFFFAOYSA-N 0 0 328.416 2.830 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000853456213 1300121364 /nfs/dbraw/zinc/12/13/64/1300121364.db2.gz HBXLVDFRUXZYPA-IAGOWNOFSA-N 0 0 331.460 2.636 10 10 EFCERN CN(C)c1ccc(OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000853693718 1300233120 /nfs/dbraw/zinc/23/31/20/1300233120.db2.gz SYKBHVMGJYVEFP-INIZCTEOSA-N 0 0 336.432 2.767 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000853737064 1300250914 /nfs/dbraw/zinc/25/09/14/1300250914.db2.gz ZQZRPRYMEDWYOP-CZIWCDLHSA-N 0 0 342.395 2.810 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000853749400 1300256805 /nfs/dbraw/zinc/25/68/05/1300256805.db2.gz RICHXGBJUVOIPN-KRWDZBQOSA-N 0 0 341.402 2.627 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc(N)c4ccccc4n3)C2)cc1 ZINC000853758143 1300260256 /nfs/dbraw/zinc/26/02/56/1300260256.db2.gz AJVOMGINFLUCRV-ZDUSSCGKSA-N 0 0 335.411 2.911 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc(OC)ncc3Cl)C2)cc1 ZINC000853758613 1300260655 /nfs/dbraw/zinc/26/06/55/1300260655.db2.gz IJHLFVOVCUJROW-LLVKDONJSA-N 0 0 334.807 2.838 10 10 EFCERN CCOC(=O)c1ccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853759535 1300262206 /nfs/dbraw/zinc/26/22/06/1300262206.db2.gz VWWSTXFCQSQJAM-OAHLLOKOSA-N 0 0 341.411 2.958 10 10 EFCERN CCOC(=O)c1coc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759325 1300262262 /nfs/dbraw/zinc/26/22/62/1300262262.db2.gz SHDYECIKCCJYEI-LBPRGKRZSA-N 0 0 331.372 2.551 10 10 EFCERN COC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1C ZINC000853758686 1300262762 /nfs/dbraw/zinc/26/27/62/1300262762.db2.gz JHZRQZAGHMCSHS-AWEZNQCLSA-N 0 0 341.411 2.876 10 10 EFCERN COC(=O)c1ccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853760605 1300264111 /nfs/dbraw/zinc/26/41/11/1300264111.db2.gz LBZOSFJIXMKIQD-CQSZACIVSA-N 0 0 327.384 2.568 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853832217 1300300156 /nfs/dbraw/zinc/30/01/56/1300300156.db2.gz BBFVZRXVOCEDEC-MSEQUDFZSA-N 0 0 346.383 2.522 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853832216 1300300745 /nfs/dbraw/zinc/30/07/45/1300300745.db2.gz BBFVZRXVOCEDEC-MPYGFJLXSA-N 0 0 346.383 2.522 10 10 EFCERN C[C@@H]1CCC[C@H](CNC(=O)NCCCSc2nccs2)O1 ZINC000853855715 1300310542 /nfs/dbraw/zinc/31/05/42/1300310542.db2.gz DRBILUUKKZCZBR-VXGBXAGGSA-N 0 0 329.491 2.882 10 10 EFCERN CC1(C)OCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000853857563 1300312333 /nfs/dbraw/zinc/31/23/33/1300312333.db2.gz GGLUYXQVUQFBMW-NSHDSACASA-N 0 0 329.491 2.740 10 10 EFCERN CCN(C)C(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853933456 1300349535 /nfs/dbraw/zinc/34/95/35/1300349535.db2.gz CZSHLFBNFMBTHS-UHFFFAOYSA-N 0 0 328.412 2.658 10 10 EFCERN Cc1cc(CC(=O)O[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000853935488 1300350336 /nfs/dbraw/zinc/35/03/36/1300350336.db2.gz ZQPKPPHKSLGUHA-GOSISDBHSA-N 0 0 328.412 2.690 10 10 EFCERN CO[C@@H](C)c1nsc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955667 1300363086 /nfs/dbraw/zinc/36/30/86/1300363086.db2.gz VCJASXFTQOHAAQ-LBPRGKRZSA-N 0 0 348.472 2.819 10 10 EFCERN C[C@H](NC(=O)N1CCC[C@@](O)(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000854002999 1300384283 /nfs/dbraw/zinc/38/42/83/1300384283.db2.gz FCXNXVJSRNMRTN-LIRRHRJNSA-N 0 0 331.460 2.760 10 10 EFCERN Cc1cc(Cc2nc(C[S@@](C)=O)no2)c(C)n1-c1ccccc1 ZINC000854033829 1300397216 /nfs/dbraw/zinc/39/72/16/1300397216.db2.gz XDEJJRQBYCQVKO-HSZRJFAPSA-N 0 0 329.425 2.946 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CCC(O)CC1 ZINC000854177180 1300461558 /nfs/dbraw/zinc/46/15/58/1300461558.db2.gz SGTJEMIHHCMELH-MDCZIUGASA-N 0 0 347.503 2.842 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000854177162 1300461600 /nfs/dbraw/zinc/46/16/00/1300461600.db2.gz SEFBKCJVCVNAME-JYJNAYRXSA-N 0 0 347.503 2.650 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC4CC3(C)C4)C2)cc1 ZINC000854188261 1300466313 /nfs/dbraw/zinc/46/63/13/1300466313.db2.gz ZXORIVGNHOOHKG-XVTSOASTSA-N 0 0 329.444 2.715 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)cc1 ZINC000854199294 1300469595 /nfs/dbraw/zinc/46/95/95/1300469595.db2.gz ZRQUJJKYEXJMMO-MRXNPFEDSA-N 0 0 342.443 2.500 10 10 EFCERN COc1ccc(N2CCC([NH2+]C[C@H](C(=O)[O-])C3CCC3)CC2)cc1 ZINC000854247737 1300487080 /nfs/dbraw/zinc/48/70/80/1300487080.db2.gz HSJBGBPEJTWUAT-SFHVURJKSA-N 0 0 332.444 2.755 10 10 EFCERN Cc1cc(CC(=O)NCCNC(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000854255257 1300489498 /nfs/dbraw/zinc/48/94/98/1300489498.db2.gz NAWAZDDKUGYOEX-UHFFFAOYSA-N 0 0 341.455 2.525 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000854271842 1300498445 /nfs/dbraw/zinc/49/84/45/1300498445.db2.gz RVXOUODLDLBGLY-INIZCTEOSA-N 0 0 332.444 2.737 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C[C@@H](C)OC)C(C)C)C2)cc1 ZINC000854299934 1300504882 /nfs/dbraw/zinc/50/48/82/1300504882.db2.gz MKXHPUHGUGWJPH-CVEARBPZSA-N 0 0 349.475 2.729 10 10 EFCERN COCCOCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854491927 1300590584 /nfs/dbraw/zinc/59/05/84/1300590584.db2.gz VVVFFNBGCZZXAJ-UHFFFAOYSA-N 0 0 344.455 2.758 10 10 EFCERN Cc1cc(CC(=O)NCc2nnc(C3CC3)[nH]2)c(C)n1-c1ccccc1 ZINC000854741612 1300683882 /nfs/dbraw/zinc/68/38/82/1300683882.db2.gz RABXEDAEZBNGAI-UHFFFAOYSA-N 0 0 349.438 2.949 10 10 EFCERN Cc1cc(CC(=O)N[C@@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000854944856 1300745839 /nfs/dbraw/zinc/74/58/39/1300745839.db2.gz ZGYDISRWZKXDIJ-HNNXBMFYSA-N 0 0 341.455 2.666 10 10 EFCERN CON1CCC(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000854949851 1300747673 /nfs/dbraw/zinc/74/76/73/1300747673.db2.gz XRWJGBDJBCFKPU-MRXNPFEDSA-N 0 0 347.503 2.772 10 10 EFCERN CON1CCC(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000854949850 1300747759 /nfs/dbraw/zinc/74/77/59/1300747759.db2.gz XRWJGBDJBCFKPU-INIZCTEOSA-N 0 0 347.503 2.772 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)n1cccn1 ZINC000854948957 1300747847 /nfs/dbraw/zinc/74/78/47/1300747847.db2.gz QPQSISLSRAADNR-HNNXBMFYSA-N 0 0 328.460 2.740 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)[C@H]3CCCO3)C2)cc1 ZINC000854980454 1300754890 /nfs/dbraw/zinc/75/48/90/1300754890.db2.gz BMOLPESBZAUUDE-FRQCXROJSA-N 0 0 346.471 2.843 10 10 EFCERN COC(=O)CC1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000855014900 1300765484 /nfs/dbraw/zinc/76/54/84/1300765484.db2.gz FCQAPVIJPIETHU-UHFFFAOYSA-N 0 0 340.423 2.849 10 10 EFCERN CCCc1[nH]ccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223355 1300844947 /nfs/dbraw/zinc/84/49/47/1300844947.db2.gz GQQYKCWRMWJMFD-CQSZACIVSA-N 0 0 327.428 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCc4cccnc43)C2)cc1 ZINC000855223054 1300845285 /nfs/dbraw/zinc/84/52/85/1300845285.db2.gz BLWUNNHHFSMKKT-MAUKXSAKSA-N 0 0 337.423 2.515 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]c4cccnc43)C2)cc1 ZINC000855223293 1300845479 /nfs/dbraw/zinc/84/54/79/1300845479.db2.gz FDVQJLVWYBRANJ-ZDUSSCGKSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc4c([nH]3)CCCC4)C2)cc1 ZINC000855222845 1300845523 /nfs/dbraw/zinc/84/55/23/1300845523.db2.gz BFUGTCCCBDHJKY-OAHLLOKOSA-N 0 0 339.439 2.911 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC34CCSCC4)C2)cc1 ZINC000855222790 1300846099 /nfs/dbraw/zinc/84/60/99/1300846099.db2.gz AHRHRQLXFYNCCT-YOEHRIQHSA-N 0 0 346.496 2.923 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)cc1 ZINC000855224070 1300846549 /nfs/dbraw/zinc/84/65/49/1300846549.db2.gz CMAYETPYJDOCFN-MRXNPFEDSA-N 0 0 337.423 2.517 10 10 EFCERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224111 1300846638 /nfs/dbraw/zinc/84/66/38/1300846638.db2.gz DHOZJTWFWUIOGC-JTDSTZFVSA-N 0 0 346.471 2.985 10 10 EFCERN CCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000855224584 1300846707 /nfs/dbraw/zinc/84/67/07/1300846707.db2.gz GDKHDEZSYMWBMN-HNNXBMFYSA-N 0 0 332.444 2.597 10 10 EFCERN COCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855224478 1300846890 /nfs/dbraw/zinc/84/68/90/1300846890.db2.gz KUBUASITOMASSK-OAHLLOKOSA-N 0 0 332.444 2.597 10 10 EFCERN CCCc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000855224136 1300847274 /nfs/dbraw/zinc/84/72/74/1300847274.db2.gz DSEPHHZGEPJSBT-ZDUSSCGKSA-N 0 0 329.400 2.644 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C=C/c3cccc(O)c3)C2)cc1 ZINC000855224987 1300847689 /nfs/dbraw/zinc/84/76/89/1300847689.db2.gz HFKIEISAMJABTA-YKXBDCQTSA-N 0 0 338.407 2.809 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3ccncc3C)C2)cc1 ZINC000855224304 1300847935 /nfs/dbraw/zinc/84/79/35/1300847935.db2.gz FDBSERQIGONHTL-MGEKVANASA-N 0 0 337.423 2.807 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(Cl)c(F)c3)C2)cc1 ZINC000855224296 1300847951 /nfs/dbraw/zinc/84/79/51/1300847951.db2.gz JPGKOZYOZSMEIN-GFCCVEGCSA-N 0 0 349.793 2.891 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cc(C)n3)C2)cc1 ZINC000855227439 1300848293 /nfs/dbraw/zinc/84/82/93/1300848293.db2.gz YXBZCXXLVAMXTA-OAHLLOKOSA-N 0 0 325.412 2.716 10 10 EFCERN CCCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000855226983 1300848316 /nfs/dbraw/zinc/84/83/16/1300848316.db2.gz RXDVYVZRMFTZLA-ZDUSSCGKSA-N 0 0 329.400 2.644 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@H]3OC)C2)cc1 ZINC000855227337 1300848610 /nfs/dbraw/zinc/84/86/10/1300848610.db2.gz VMWFNPCNIYXDJF-JCGIZDLHSA-N 0 0 332.444 2.595 10 10 EFCERN CCc1c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccn1C ZINC000855227460 1300848647 /nfs/dbraw/zinc/84/86/47/1300848647.db2.gz WWGLSFSUFPLHPG-AWEZNQCLSA-N 0 0 327.428 2.605 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3OC)C2)cc1 ZINC000855227336 1300848791 /nfs/dbraw/zinc/84/87/91/1300848791.db2.gz VMWFNPCNIYXDJF-BMGDILEWSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000855227005 1300848874 /nfs/dbraw/zinc/84/88/74/1300848874.db2.gz SHEYYWLZRTYRAH-RLFYNMQTSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](OC)C3CCCC3)C2)cc1 ZINC000855227141 1300849328 /nfs/dbraw/zinc/84/93/28/1300849328.db2.gz TXWIAOJXGZWIJW-QAPCUYQASA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(F)c3)C2)cc1 ZINC000855229745 1300849969 /nfs/dbraw/zinc/84/99/69/1300849969.db2.gz PXJXUTNMQUWPLH-INIZCTEOSA-N 0 0 328.387 2.772 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]c4ncccc34)C2)cc1 ZINC000855229059 1300850201 /nfs/dbraw/zinc/85/02/01/1300850201.db2.gz HEECXOPWTSOUNH-ZDUSSCGKSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000855229580 1300851182 /nfs/dbraw/zinc/85/11/82/1300851182.db2.gz BABIYETXTJGESY-GJYPPUQNSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CN(C)c3ccccc3)C2)cc1 ZINC000855229182 1300851265 /nfs/dbraw/zinc/85/12/65/1300851265.db2.gz IJHOIQQYQFDBMP-MRXNPFEDSA-N 0 0 339.439 2.527 10 10 EFCERN CCc1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000855230113 1300851572 /nfs/dbraw/zinc/85/15/72/1300851572.db2.gz NFOOEOVVDXVPHP-GFCCVEGCSA-N 0 0 331.441 2.723 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3noc4c3CCCC4)C2)cc1 ZINC000855231703 1300853482 /nfs/dbraw/zinc/85/34/82/1300853482.db2.gz XUEZTMMKEYPJGG-ZDUSSCGKSA-N 0 0 341.411 2.571 10 10 EFCERN CCc1nc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855231895 1300853522 /nfs/dbraw/zinc/85/35/22/1300853522.db2.gz YDSMKYKWVHVFFZ-ZDUSSCGKSA-N 0 0 345.468 2.652 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3OC)C2)cc1 ZINC000855235086 1300853748 /nfs/dbraw/zinc/85/37/48/1300853748.db2.gz WSKFRRGOYXOORD-AWEZNQCLSA-N 0 0 326.396 2.713 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccccc3F)C2)cc1 ZINC000855234743 1300853773 /nfs/dbraw/zinc/85/37/73/1300853773.db2.gz LLAFVMWCCYSVDF-OAHLLOKOSA-N 0 0 328.387 2.772 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3Cl)C2)cc1 ZINC000855234746 1300854130 /nfs/dbraw/zinc/85/41/30/1300854130.db2.gz LMGLPSIQUMYGKE-GFCCVEGCSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(OC)c3)C2)cc1 ZINC000855234732 1300855040 /nfs/dbraw/zinc/85/50/40/1300855040.db2.gz LFFCUUXHBRRVRB-HNNXBMFYSA-N 0 0 326.396 2.713 10 10 EFCERN Cc1cncn1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000859283020 1301417424 /nfs/dbraw/zinc/41/74/24/1301417424.db2.gz CSJSRFLDGKCBBJ-UHFFFAOYSA-N 0 0 326.444 2.744 10 10 EFCERN C[C@]1(Br)C[C@H]1C(=O)NCCCSc1nccs1 ZINC000859352069 1301439762 /nfs/dbraw/zinc/43/97/62/1301439762.db2.gz MCDYNQFYMKDKBC-KWQFWETISA-N 0 0 335.292 2.915 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(C2CCOCC2)n1 ZINC000859421342 1301458913 /nfs/dbraw/zinc/45/89/13/1301458913.db2.gz WYEXZQKGSNJLRS-UHFFFAOYSA-N 0 0 342.443 2.539 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N)cc2)c(C)n1[C@H]1CCCOC1 ZINC000859594396 1301502376 /nfs/dbraw/zinc/50/23/76/1301502376.db2.gz YPIMODSMYVVZQN-KRWDZBQOSA-N 0 0 327.428 2.969 10 10 EFCERN Cc1noc(C)c1N(C)C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000859762176 1301569804 /nfs/dbraw/zinc/56/98/04/1301569804.db2.gz YOJVLMOMSKNAKV-CYBMUJFWSA-N 0 0 335.404 2.868 10 10 EFCERN COC(=O)C1C[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000860189328 1301735090 /nfs/dbraw/zinc/73/50/90/1301735090.db2.gz SCQOQSMVRJMQSV-GHMZBOCLSA-N 0 0 337.391 2.896 10 10 EFCERN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860697436 1301889291 /nfs/dbraw/zinc/88/92/91/1301889291.db2.gz WLYMUVBBAKSHRZ-PXAZEXFGSA-N 0 0 341.407 2.884 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCCCO ZINC000861244480 1302047989 /nfs/dbraw/zinc/04/79/89/1302047989.db2.gz NDCCXYZLUCRGLK-UHFFFAOYSA-N 0 0 328.412 2.751 10 10 EFCERN COCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000861632655 1302177139 /nfs/dbraw/zinc/17/71/39/1302177139.db2.gz NBGDKIXZDQAMHT-UHFFFAOYSA-N 0 0 346.383 2.617 10 10 EFCERN CCO[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000861687014 1302189983 /nfs/dbraw/zinc/18/99/83/1302189983.db2.gz JAJHUBGEUAAAIF-ZDUSSCGKSA-N 0 0 330.222 2.832 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](O)C2(C)C)c1 ZINC000861788973 1302209113 /nfs/dbraw/zinc/20/91/13/1302209113.db2.gz OSDQMUHTMMYMFB-SFHVURJKSA-N 0 0 340.423 2.892 10 10 EFCERN COC[C@@H]1CCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000861827129 1302214990 /nfs/dbraw/zinc/21/49/90/1302214990.db2.gz GGEZZISZNRBIAF-IBGZPJMESA-N 0 0 340.423 2.696 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)C(F)(F)F ZINC000862039606 1302268477 /nfs/dbraw/zinc/26/84/77/1302268477.db2.gz IABZEDVWVXTSQJ-NSHDSACASA-N 0 0 347.333 2.872 10 10 EFCERN CN(CC(=O)NC(C)(C)C)Cc1c(O)cccc1Br ZINC000862214648 1302307985 /nfs/dbraw/zinc/30/79/85/1302307985.db2.gz YTSRHPYSVCHKRS-UHFFFAOYSA-N 0 0 329.238 2.501 10 10 EFCERN CCn1ncc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000862386872 1302359847 /nfs/dbraw/zinc/35/98/47/1302359847.db2.gz CGQODOIOHSBJEG-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN CN(C)c1cc(F)c(CN[C@@](C)(CO)c2cccc(O)c2)cc1F ZINC000862432633 1302383823 /nfs/dbraw/zinc/38/38/23/1302383823.db2.gz LLOYWEWKYAFPAC-SFHVURJKSA-N 0 0 336.382 2.734 10 10 EFCERN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862466599 1302390342 /nfs/dbraw/zinc/39/03/42/1302390342.db2.gz PSMRIQPXCWQMFO-GFCCVEGCSA-N 0 0 340.217 2.815 10 10 EFCERN CCc1cccc(CN[C@@H](Cc2cccc(OC)c2)C(=O)OC)c1O ZINC000862474979 1302394682 /nfs/dbraw/zinc/39/46/82/1302394682.db2.gz UYIHXTNQUSDEHC-SFHVURJKSA-N 0 0 343.423 2.837 10 10 EFCERN CCN(CC)c1ccc(CN[C@H](C[C@@H]2CCCOC2)C(=O)OC)cc1 ZINC000862516521 1302403478 /nfs/dbraw/zinc/40/34/78/1302403478.db2.gz SXIFNEUTQCQVJC-PKOBYXMFSA-N 0 0 348.487 2.981 10 10 EFCERN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Cl)c(C)cc1O ZINC000862516859 1302403926 /nfs/dbraw/zinc/40/39/26/1302403926.db2.gz ZZXPMYMGJSDAPE-DOMZBBRYSA-N 0 0 341.835 2.802 10 10 EFCERN COc1cc(Br)cc(CN2CCO[C@H](CCF)C2)c1O ZINC000862529076 1302405724 /nfs/dbraw/zinc/40/57/24/1302405724.db2.gz ALVKNQLZQVQIRS-GFCCVEGCSA-N 0 0 348.212 2.724 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000862649811 1302432699 /nfs/dbraw/zinc/43/26/99/1302432699.db2.gz HCZGYFFBSYLAJB-MSOLQXFVSA-N 0 0 346.402 2.503 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000862650099 1302433109 /nfs/dbraw/zinc/43/31/09/1302433109.db2.gz NAORLOGUDSEORS-RTBURBONSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000862753953 1302450219 /nfs/dbraw/zinc/45/02/19/1302450219.db2.gz MQEIIXWASMQGOA-UHFFFAOYSA-N 0 0 348.443 2.964 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)c1 ZINC000862759549 1302451324 /nfs/dbraw/zinc/45/13/24/1302451324.db2.gz FYLXDKFUJWFGCO-UHFFFAOYSA-N 0 0 340.305 2.576 10 10 EFCERN CCOC(=O)c1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)n1 ZINC000863180318 1302549610 /nfs/dbraw/zinc/54/96/10/1302549610.db2.gz KPQBUTCYPFICES-SDNWHVSQSA-N 0 0 345.424 2.715 10 10 EFCERN C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000864508980 1302954605 /nfs/dbraw/zinc/95/46/05/1302954605.db2.gz GQTHGMLPLMGOGU-OCCSQVGLSA-N 0 0 328.206 2.888 10 10 EFCERN CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000864632602 1303007168 /nfs/dbraw/zinc/00/71/68/1303007168.db2.gz LBBLXPRMNXVGDX-GOSISDBHSA-N 0 0 334.460 2.543 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3nc(C4CC4)oc3C)CC2)cc1 ZINC000794764941 1303053166 /nfs/dbraw/zinc/05/31/66/1303053166.db2.gz YMLRWQZFMIUJKP-UHFFFAOYSA-N 0 0 341.411 2.831 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)C1CC2(CSC2)C1 ZINC000864919271 1303083107 /nfs/dbraw/zinc/08/31/07/1303083107.db2.gz SUAKQZDTLWGWQC-UHFFFAOYSA-N 0 0 348.537 2.999 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000865018542 1303122832 /nfs/dbraw/zinc/12/28/32/1303122832.db2.gz MHVSRIQWVXKFON-JKSUJKDBSA-N 0 0 339.439 2.899 10 10 EFCERN CCO[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000865027401 1303126194 /nfs/dbraw/zinc/12/61/94/1303126194.db2.gz OIMHMNWSGHLNCU-SJLPKXTDSA-N 0 0 334.460 2.543 10 10 EFCERN CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000865031778 1303128845 /nfs/dbraw/zinc/12/88/45/1303128845.db2.gz OEXLCSOLLNDBMW-MJGOQNOKSA-N 0 0 346.471 2.735 10 10 EFCERN Cc1csc2nc(CC(=O)NCc3ccc(N(C)C)c(F)c3)cn12 ZINC000865051669 1303139479 /nfs/dbraw/zinc/13/94/79/1303139479.db2.gz RLOUSNCERDHLQS-UHFFFAOYSA-N 0 0 346.431 2.768 10 10 EFCERN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cn(C2CC2)cn1 ZINC000865218654 1303192879 /nfs/dbraw/zinc/19/28/79/1303192879.db2.gz UNCDIPMKSGIJOQ-XFFZJAGNSA-N 0 0 349.350 2.780 10 10 EFCERN Cc1cc(CNC(=S)NCc2c(O)ccc3c2CCCC3)no1 ZINC000865231808 1303196376 /nfs/dbraw/zinc/19/63/76/1303196376.db2.gz DMUTXYIOZGBMQF-UHFFFAOYSA-N 0 0 331.441 2.732 10 10 EFCERN Cc1cc(CNC(=S)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000865238577 1303198860 /nfs/dbraw/zinc/19/88/60/1303198860.db2.gz AMSFYYARROVCEZ-ZDUSSCGKSA-N 0 0 346.500 2.953 10 10 EFCERN Oc1cccc(Br)c1CNc1ncc2c(n1)CCOC2 ZINC000865294841 1303210176 /nfs/dbraw/zinc/21/01/76/1303210176.db2.gz UVKUMOKWLZUGBQ-UHFFFAOYSA-N 0 0 336.189 2.630 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865779312 1303396469 /nfs/dbraw/zinc/39/64/69/1303396469.db2.gz GRPKXNDQEMOPAU-LLVKDONJSA-N 0 0 329.799 2.860 10 10 EFCERN O=C(NCCCSc1nccs1)c1c[nH]nc1[C@H]1CCCO1 ZINC000865785584 1303400136 /nfs/dbraw/zinc/40/01/36/1303400136.db2.gz RODWJCKQRDNLDN-LLVKDONJSA-N 0 0 338.458 2.630 10 10 EFCERN COc1ccc(N2CC[C@@H](CNc3nc4cnccc4n3C)C2)cc1 ZINC000865888207 1303441787 /nfs/dbraw/zinc/44/17/87/1303441787.db2.gz IXFJQOQDTCUPCG-AWEZNQCLSA-N 0 0 337.427 2.915 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000865923299 1303456274 /nfs/dbraw/zinc/45/62/74/1303456274.db2.gz MCAIPBPYURMNPR-FHMRSRPSSA-N 0 0 330.262 2.922 10 10 EFCERN COc1ccc(N2CCN(c3cccc(C(C)=O)n3)CC2)c(OC)c1 ZINC000866137831 1303539710 /nfs/dbraw/zinc/53/97/10/1303539710.db2.gz CVXDXQPOYIJJJB-UHFFFAOYSA-N 0 0 341.411 2.628 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866211508 1303565323 /nfs/dbraw/zinc/56/53/23/1303565323.db2.gz IWZWLBMQZLXUSG-ZCPGHIKRSA-N 0 0 346.446 2.695 10 10 EFCERN CN(C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000866278305 1303588641 /nfs/dbraw/zinc/58/86/41/1303588641.db2.gz PBWAZIMZTNJGNX-MEJMFZKBSA-N 0 0 334.420 2.576 10 10 EFCERN CC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(Cl)c1[O-] ZINC000866412409 1303627632 /nfs/dbraw/zinc/62/76/32/1303627632.db2.gz IRNUPMPQIKEACZ-SWLSCSKDSA-N 0 0 326.868 2.932 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccncc3)CC2)cc1F ZINC000866458824 1303647830 /nfs/dbraw/zinc/64/78/30/1303647830.db2.gz BWXHSRGIYVBGKO-AWEZNQCLSA-N 0 0 343.402 2.682 10 10 EFCERN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866530457 1303674578 /nfs/dbraw/zinc/67/45/78/1303674578.db2.gz BBCGZDSTONKMKQ-OCCSQVGLSA-N 0 0 336.388 2.537 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000866565124 1303689082 /nfs/dbraw/zinc/68/90/82/1303689082.db2.gz IFONXULYCUMYQX-VIFPVBQESA-N 0 0 339.342 2.701 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C(=O)OC)nc1 ZINC000866598480 1303704759 /nfs/dbraw/zinc/70/47/59/1303704759.db2.gz FIILSBCCWJIMMQ-UHFFFAOYSA-N 0 0 342.395 2.555 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)/C=C/COC1CCOCC1 ZINC000866598478 1303704929 /nfs/dbraw/zinc/70/49/29/1303704929.db2.gz FDODLNPHANRVNP-VMPITWQZSA-N 0 0 333.428 2.883 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC[C@H]1OCC ZINC000866599014 1303705707 /nfs/dbraw/zinc/70/57/07/1303705707.db2.gz XRYNLUWNXGRNEE-MAUKXSAKSA-N 0 0 335.444 2.963 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000866797272 1303798148 /nfs/dbraw/zinc/79/81/48/1303798148.db2.gz REUHUBLZSMBBKM-ZDUSSCGKSA-N 0 0 332.416 2.526 10 10 EFCERN C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000867502953 1303836376 /nfs/dbraw/zinc/83/63/76/1303836376.db2.gz GADCXYWDOSEKTJ-MLGOLLRUSA-N 0 0 328.416 2.818 10 10 EFCERN CC(C)(C)c1cc(CS(=O)(=O)N2Cc3cccc(O)c3C2)no1 ZINC000867690816 1303911415 /nfs/dbraw/zinc/91/14/15/1303911415.db2.gz NOGACPQPPALWHG-UHFFFAOYSA-N 0 0 336.413 2.523 10 10 EFCERN C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836533 1303978907 /nfs/dbraw/zinc/97/89/07/1303978907.db2.gz WPIWYMZVMOTPTG-ZJUUUORDSA-N 0 0 325.352 2.961 10 10 EFCERN C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836532 1303979151 /nfs/dbraw/zinc/97/91/51/1303979151.db2.gz WPIWYMZVMOTPTG-UWVGGRQHSA-N 0 0 325.352 2.961 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc(OC2CC2)cc1)c1ccccc1O ZINC000867836229 1303979244 /nfs/dbraw/zinc/97/92/44/1303979244.db2.gz KCSSVBIBJMHRCN-LBPRGKRZSA-N 0 0 333.409 2.973 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(N)ccc3Cl)C2)cc1 ZINC000867983490 1304058231 /nfs/dbraw/zinc/05/82/31/1304058231.db2.gz FNWYFWVXZNFHGK-ZDUSSCGKSA-N 0 0 345.830 2.940 10 10 EFCERN COCCOc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868060863 1304102447 /nfs/dbraw/zinc/10/24/47/1304102447.db2.gz FFZIBGYSSMDAMY-AWEZNQCLSA-N 0 0 344.411 2.978 10 10 EFCERN CCNC(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868088522 1304116940 /nfs/dbraw/zinc/11/69/40/1304116940.db2.gz BWUIVSHMKQLSMF-ZDUSSCGKSA-N 0 0 341.411 2.702 10 10 EFCERN CCC(CC)(CNC(=O)C(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000868300401 1304232343 /nfs/dbraw/zinc/23/23/43/1304232343.db2.gz ZGGMCMJNIFOUAW-UHFFFAOYSA-N 0 0 331.338 2.692 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC34CC4)C2)cc1 ZINC000868762092 1304460141 /nfs/dbraw/zinc/46/01/41/1304460141.db2.gz LHWXWWORUSRPBE-YOEHRIQHSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC(SC)CC3)C2)cc1 ZINC000868761273 1304460354 /nfs/dbraw/zinc/46/03/54/1304460354.db2.gz BIDRRXVYHHRSRN-AWEZNQCLSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCS3)C2)cc1 ZINC000868762838 1304461029 /nfs/dbraw/zinc/46/10/29/1304461029.db2.gz VVTOANAQVHPZTO-YOEHRIQHSA-N 0 0 349.500 2.859 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000868777817 1304470215 /nfs/dbraw/zinc/47/02/15/1304470215.db2.gz AQGBOXPRFGYMQK-UKPHBRMFSA-N 0 0 342.443 2.897 10 10 EFCERN C[C@H](NC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000868801231 1304482763 /nfs/dbraw/zinc/48/27/63/1304482763.db2.gz VJSHEHDQINEJAL-GXFFZTMASA-N 0 0 342.321 2.753 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)[C@H](C)O1 ZINC000868899607 1304525107 /nfs/dbraw/zinc/52/51/07/1304525107.db2.gz LKOFYNFDRIRDDR-VDDIYKPWSA-N 0 0 343.221 2.520 10 10 EFCERN CCn1cc(C(=O)NCc2ccc3cccnc3c2O)c(C2CC2)n1 ZINC000868936694 1304540890 /nfs/dbraw/zinc/54/08/90/1304540890.db2.gz DBBRIOJNEUZXGP-UHFFFAOYSA-N 0 0 336.395 2.964 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)C2)cc1 ZINC000868955733 1304548176 /nfs/dbraw/zinc/54/81/76/1304548176.db2.gz DXKYKFUNIKCKOW-HLULTAIVSA-N 0 0 328.456 2.930 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)c2ccncc2)cc1 ZINC000869143089 1304631559 /nfs/dbraw/zinc/63/15/59/1304631559.db2.gz XPNPFILLWOSYHM-OAHLLOKOSA-N 0 0 327.428 2.789 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccnc3Cl)C2)cc1 ZINC000869229499 1304670557 /nfs/dbraw/zinc/67/05/57/1304670557.db2.gz XGMAODFTSXBOIV-CQSZACIVSA-N 0 0 345.830 2.681 10 10 EFCERN CCO[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000869232163 1304672194 /nfs/dbraw/zinc/67/21/94/1304672194.db2.gz YBVVIFHSBHPKAL-APWZRJJASA-N 0 0 346.471 2.985 10 10 EFCERN CCOCCCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000869231898 1304672589 /nfs/dbraw/zinc/67/25/89/1304672589.db2.gz VYGHROGIVBPOAE-INIZCTEOSA-N 0 0 334.460 2.987 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869294791 1304702772 /nfs/dbraw/zinc/70/27/72/1304702772.db2.gz GBLXHHNEXMTZAH-MAAHGYRXSA-N 0 0 328.456 2.556 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869294794 1304703053 /nfs/dbraw/zinc/70/30/53/1304703053.db2.gz GBLXHHNEXMTZAH-RPTUDFQQSA-N 0 0 328.456 2.556 10 10 EFCERN O=C(COC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccc(O)c(O)c1 ZINC000869811590 1304981928 /nfs/dbraw/zinc/98/19/28/1304981928.db2.gz YAEQRBFCEKGNQD-INIZCTEOSA-N 0 0 334.368 2.563 10 10 EFCERN C=C/C(C)=C\CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870168017 1305186586 /nfs/dbraw/zinc/18/65/86/1305186586.db2.gz VBLJQUZVKWAENV-UUASQNMZSA-N 0 0 330.428 2.875 10 10 EFCERN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000870774887 1305571137 /nfs/dbraw/zinc/57/11/37/1305571137.db2.gz RQHVCDNBMUSTBZ-LSDHHAIUSA-N 0 0 341.363 2.935 10 10 EFCERN CC1(C)C[C@H](O)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000870983549 1305725961 /nfs/dbraw/zinc/72/59/61/1305725961.db2.gz WEHUHRYKPGTIGD-AWEZNQCLSA-N 0 0 345.468 2.549 10 10 EFCERN CCNC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2O)c(C)s1 ZINC000871115695 1305817693 /nfs/dbraw/zinc/81/76/93/1305817693.db2.gz CXFIBDOWMJWIOQ-UHFFFAOYSA-N 0 0 334.397 2.778 10 10 EFCERN COc1cc(CC(=O)N2Cc3cccc(O)c3C2)cc(OC)c1OC ZINC000871198832 1305884713 /nfs/dbraw/zinc/88/47/13/1305884713.db2.gz MBFLKSMQJSKFFS-UHFFFAOYSA-N 0 0 343.379 2.503 10 10 EFCERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871201407 1305887201 /nfs/dbraw/zinc/88/72/01/1305887201.db2.gz VQDGCIKBYBSRRD-ZFWWWQNUSA-N 0 0 330.428 2.519 10 10 EFCERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871201398 1305888361 /nfs/dbraw/zinc/88/83/61/1305888361.db2.gz VQDGCIKBYBSRRD-DZGCQCFKSA-N 0 0 330.428 2.519 10 10 EFCERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202823 1305888931 /nfs/dbraw/zinc/88/89/31/1305888931.db2.gz NCQLHLIUTLXCJV-UHFFFAOYSA-N 0 0 327.384 2.650 10 10 EFCERN COc1ccc2c(c1)OC[C@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203699 1305889685 /nfs/dbraw/zinc/88/96/85/1305889685.db2.gz QFXQCRSZNAHNIW-CYBMUJFWSA-N 0 0 325.364 2.809 10 10 EFCERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871202987 1305889980 /nfs/dbraw/zinc/88/99/80/1305889980.db2.gz IUNDTWBNEQFVRE-UHFFFAOYSA-N 0 0 345.420 2.569 10 10 EFCERN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc2c(c1)OCO2 ZINC000871205463 1305890525 /nfs/dbraw/zinc/89/05/25/1305890525.db2.gz SZIXMXHBKFLQNF-UHFFFAOYSA-N 0 0 325.364 2.941 10 10 EFCERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205403 1305890879 /nfs/dbraw/zinc/89/08/79/1305890879.db2.gz ZRXQUNUPULUHNX-NWDGAFQWSA-N 0 0 334.416 2.784 10 10 EFCERN O=C([C@@H]1CCO[C@@H](c2ccccc2)O1)N1Cc2cccc(O)c2C1 ZINC000871204549 1305890939 /nfs/dbraw/zinc/89/09/39/1305890939.db2.gz GHHAYXOBVFSPOJ-PKOBYXMFSA-N 0 0 325.364 2.739 10 10 EFCERN COCCOc1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204917 1305891019 /nfs/dbraw/zinc/89/10/19/1305891019.db2.gz SMGUJIYLLYWRRM-UHFFFAOYSA-N 0 0 327.380 2.502 10 10 EFCERN O=C([C@H]1CCO[C@H](c2ccccc2)O1)N1Cc2cccc(O)c2C1 ZINC000871204548 1305891458 /nfs/dbraw/zinc/89/14/58/1305891458.db2.gz GHHAYXOBVFSPOJ-MJGOQNOKSA-N 0 0 325.364 2.739 10 10 EFCERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871208058 1305892568 /nfs/dbraw/zinc/89/25/68/1305892568.db2.gz XRSXMTRTCJFPRF-KRWDZBQOSA-N 0 0 337.375 2.967 10 10 EFCERN C/C=C/[C@@H](O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000900129899 1307695591 /nfs/dbraw/zinc/69/55/91/1307695591.db2.gz PCHZSKSIZPMCFE-MJICGBHWSA-N 0 0 328.412 2.811 10 10 EFCERN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)Cn1ccnc1 ZINC000900788508 1308681202 /nfs/dbraw/zinc/68/12/02/1308681202.db2.gz WQVRIBIYVUQUFL-SNVBAGLBSA-N 0 0 331.397 2.575 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@H](C(F)F)C2)c(C)n1-c1ccccn1 ZINC000801113559 1309144082 /nfs/dbraw/zinc/14/40/82/1309144082.db2.gz RRJGSXLXROQZKB-AWEZNQCLSA-N 0 0 335.354 2.595 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000801679480 1310714694 /nfs/dbraw/zinc/71/46/94/1310714694.db2.gz FHFHRJZJDVWSKE-MZBZXASESA-N 0 0 342.298 2.599 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Nc1cn(C)nc1OC ZINC000801754703 1310863151 /nfs/dbraw/zinc/86/31/51/1310863151.db2.gz JALCPLSMLSUGFL-UHFFFAOYSA-N 0 0 332.404 2.969 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ncc(C(F)(F)F)s1 ZINC000801754797 1310864234 /nfs/dbraw/zinc/86/42/34/1310864234.db2.gz JVRDUHBMDNOTSZ-UHFFFAOYSA-N 0 0 347.318 2.937 10 10 EFCERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751531055 1311122243 /nfs/dbraw/zinc/12/22/43/1311122243.db2.gz XKLXPHJWMILIFG-LLVKDONJSA-N 0 0 331.368 2.914 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCn1ccnn1 ZINC000753150425 1311166907 /nfs/dbraw/zinc/16/69/07/1311166907.db2.gz KFMBUXUJYFEJAG-UHFFFAOYSA-N 0 0 337.427 2.814 10 10 EFCERN Cc1noc(C2CCC(NC(=O)NCc3ccccc3O)CC2)n1 ZINC000753345480 1311168869 /nfs/dbraw/zinc/16/88/69/1311168869.db2.gz SDTWMZKKOCQENH-UHFFFAOYSA-N 0 0 330.388 2.609 10 10 EFCERN CCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000802369210 1311600045 /nfs/dbraw/zinc/60/00/45/1311600045.db2.gz ZSCJNJXXRPJBQA-KRWDZBQOSA-N 0 0 339.439 2.753 10 10 EFCERN CCN1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC000802371406 1311600996 /nfs/dbraw/zinc/60/09/96/1311600996.db2.gz SSPDYMWEXAVQEU-SFHVURJKSA-N 0 0 339.439 2.753 10 10 EFCERN COc1cc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC001226647470 1311701660 /nfs/dbraw/zinc/70/16/60/1311701660.db2.gz VYXDMVLODUYRBM-AWEZNQCLSA-N 0 0 342.443 2.759 10 10 EFCERN O=C(Nc1ncc(CCO)s1)c1cc2cc(O)c(O)cc2s1 ZINC001160447607 1311711297 /nfs/dbraw/zinc/71/12/97/1311711297.db2.gz IFFWUFPWZYJWAR-UHFFFAOYSA-N 0 0 336.394 2.556 10 10 EFCERN C[C@@H](CCOCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001160757691 1311775403 /nfs/dbraw/zinc/77/54/03/1311775403.db2.gz WIBLBJHLKLIKEQ-AWEZNQCLSA-N 0 0 329.396 2.752 10 10 EFCERN C[C@H](NC(=O)c1nnc(-c2cscn2)o1)c1ccc(N(C)C)cc1 ZINC000902667462 1311995098 /nfs/dbraw/zinc/99/50/98/1311995098.db2.gz JUKVBAFFTVBBIN-JTQLQIEISA-N 0 0 343.412 2.750 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)NCc1cccc(OC)c1O ZINC000802782329 1312017487 /nfs/dbraw/zinc/01/74/87/1312017487.db2.gz SHJMZRDBUPIJEW-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C(F)(F)c1c(F)cccc1F ZINC001162279211 1312079189 /nfs/dbraw/zinc/07/91/89/1312079189.db2.gz VYFIHOAIHQWFLM-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN O=C(COc1ccc(F)c(Cl)c1)NCc1ccc(O)cc1O ZINC001162278765 1312079238 /nfs/dbraw/zinc/07/92/38/1312079238.db2.gz LQPDCGHPGMWWDP-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccc(O)cc3O)cc2C1 ZINC001162286455 1312080830 /nfs/dbraw/zinc/08/08/30/1312080830.db2.gz USTUMRWZADTSQV-NSHDSACASA-N 0 0 342.395 2.643 10 10 EFCERN CCCn1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765711 1312087466 /nfs/dbraw/zinc/08/74/66/1312087466.db2.gz ADAOYNZEHNPDHD-HOTGVXAUSA-N 0 0 343.475 2.937 10 10 EFCERN COc1ccc(OC)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162607595 1312134610 /nfs/dbraw/zinc/13/46/10/1312134610.db2.gz VIMHXSMDFSRLEE-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN COc1ccc(CCC(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001162612641 1312135710 /nfs/dbraw/zinc/13/57/10/1312135710.db2.gz NPDPOPFCOFBYCZ-UHFFFAOYSA-N 0 0 337.379 2.593 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC(=O)c2cccn21 ZINC001162612379 1312135901 /nfs/dbraw/zinc/13/59/01/1312135901.db2.gz INZDSJAVPGEGMF-HNNXBMFYSA-N 0 0 335.363 2.576 10 10 EFCERN O=C(NCc1c(O)cccc1F)Nc1ncn(C2CCCCC2)n1 ZINC000902945639 1312231587 /nfs/dbraw/zinc/23/15/87/1312231587.db2.gz UPSKXQSNCBSPMB-UHFFFAOYSA-N 0 0 333.367 2.950 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000803089519 1312262606 /nfs/dbraw/zinc/26/26/06/1312262606.db2.gz CBUVXRUMGMTZOT-LLVKDONJSA-N 0 0 340.379 2.949 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178113 1312434213 /nfs/dbraw/zinc/43/42/13/1312434213.db2.gz CJARAKQVJMTCFS-CHIMOYNISA-N 0 0 347.333 2.939 10 10 EFCERN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903214254 1312469154 /nfs/dbraw/zinc/46/91/54/1312469154.db2.gz TXTGYHOIJQOPJJ-QWRGUYRKSA-N 0 0 330.350 2.930 10 10 EFCERN COc1ccc(CNC(=O)c2cc(Cc3ccccc3)n[nH]2)c(O)c1 ZINC000803292816 1312473076 /nfs/dbraw/zinc/47/30/76/1312473076.db2.gz XMDYKBCWYHOEII-UHFFFAOYSA-N 0 0 337.379 2.645 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cc(F)cc(F)c1[O-] ZINC000903271824 1312526530 /nfs/dbraw/zinc/52/65/30/1312526530.db2.gz OQXJWERQPABNLJ-LKTVYLICSA-N 0 0 328.428 2.901 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903290025 1312540938 /nfs/dbraw/zinc/54/09/38/1312540938.db2.gz RJBJWIUYXSEOCL-YOEHRIQHSA-N 0 0 343.423 2.823 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C2(CC(C)=O)CCC2)cc1 ZINC001164597304 1312546684 /nfs/dbraw/zinc/54/66/84/1312546684.db2.gz JJGZFHBPJWTUDT-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001165499260 1312638538 /nfs/dbraw/zinc/63/85/38/1312638538.db2.gz YJMITQKLFPIIEX-UHFFFAOYSA-N 0 0 346.730 2.760 10 10 EFCERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)ccc1O ZINC001165507173 1312639543 /nfs/dbraw/zinc/63/95/43/1312639543.db2.gz BHMOIRWIRNBKGL-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC1(O)CCC1 ZINC001248504913 1314940307 /nfs/dbraw/zinc/94/03/07/1314940307.db2.gz BBFNLZREXKXMPX-UHFFFAOYSA-N 0 0 331.460 2.733 10 10 EFCERN Cc1cc(CCNc2nccn3nnnc23)c(C)n1-c1ccccc1 ZINC000749143863 1315130074 /nfs/dbraw/zinc/13/00/74/1315130074.db2.gz NFAJVAKPLYCDBJ-UHFFFAOYSA-N 0 0 333.399 2.581 10 10 EFCERN CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000191258805 1315343229 /nfs/dbraw/zinc/34/32/29/1315343229.db2.gz NJGAKJVLICGBSJ-WBVHZDCISA-N 0 0 349.500 2.607 10 10 EFCERN Cc1nnc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001251660824 1315363710 /nfs/dbraw/zinc/36/37/10/1315363710.db2.gz UDKKSSFCNZCQAW-ZDUSSCGKSA-N 0 0 343.431 2.881 10 10 EFCERN CCO[C@H]1C[C@@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001251765838 1315377149 /nfs/dbraw/zinc/37/71/49/1315377149.db2.gz HLNYRHVYOKMSRW-KYJSFNMBSA-N 0 0 333.476 2.859 10 10 EFCERN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151520 1315602050 /nfs/dbraw/zinc/60/20/50/1315602050.db2.gz DJXSTSORDPSWHL-OAHLLOKOSA-N 0 0 326.234 2.892 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@]2(C)CCCCO2)cc1 ZINC001255987021 1315889009 /nfs/dbraw/zinc/88/90/09/1315889009.db2.gz ARHJMBPLIBOOPP-LJQANCHMSA-N 0 0 349.475 2.732 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001256571857 1315961767 /nfs/dbraw/zinc/96/17/67/1315961767.db2.gz DVUUSOVLGGVYAZ-CQSZACIVSA-N 0 0 337.464 2.682 10 10 EFCERN Nc1cc(F)c(Br)cc1C(=O)NCc1ccccc1O ZINC001137471704 1316012838 /nfs/dbraw/zinc/01/28/38/1316012838.db2.gz XEXQNWUCRJATPZ-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CCOc1ccc(N2CCN(c3ncc(SC)cn3)CC2)cc1 ZINC001258125585 1316122195 /nfs/dbraw/zinc/12/21/95/1316122195.db2.gz XGLGJTSPGRIJLP-UHFFFAOYSA-N 0 0 330.457 2.924 10 10 EFCERN Cc1cc(Cl)c(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001299574024 1316230338 /nfs/dbraw/zinc/23/03/38/1316230338.db2.gz OCDZCKLOKLXKAQ-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN CC[C@@](O)(C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC001299574982 1316231271 /nfs/dbraw/zinc/23/12/71/1316231271.db2.gz VUTGVERVEKBLFN-KRWDZBQOSA-N 0 0 335.787 2.665 10 10 EFCERN CN(C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001299721629 1316378328 /nfs/dbraw/zinc/37/83/28/1316378328.db2.gz NNSRLUPESGMYCI-GOSISDBHSA-N 0 0 335.407 2.860 10 10 EFCERN COc1ncc(C(=O)NCc2ccc3cccnc3c2O)cc1Cl ZINC001299725963 1316381233 /nfs/dbraw/zinc/38/12/33/1316381233.db2.gz OZJVVQRNGCVHGU-UHFFFAOYSA-N 0 0 343.770 2.927 10 10 EFCERN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c(N)cc1F ZINC001299727125 1316384830 /nfs/dbraw/zinc/38/48/30/1316384830.db2.gz YAICWMIQLXXKBL-UHFFFAOYSA-N 0 0 325.343 2.900 10 10 EFCERN CCNc1cc(CNC(=O)NCc2ccc(N(C)C)cc2C)ccn1 ZINC001263711095 1316557703 /nfs/dbraw/zinc/55/77/03/1316557703.db2.gz QQPHTIFXNGNYKK-UHFFFAOYSA-N 0 0 341.459 2.887 10 10 EFCERN COc1cccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001264286950 1316602769 /nfs/dbraw/zinc/60/27/69/1316602769.db2.gz DUCZUHZXVJOWTA-UHFFFAOYSA-N 0 0 325.412 2.963 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ncnc3sccc32)cc1F ZINC001264827021 1316671584 /nfs/dbraw/zinc/67/15/84/1316671584.db2.gz LFAVRDZOYJJELF-UHFFFAOYSA-N 0 0 330.388 2.826 10 10 EFCERN Cc1cn(C)nc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001265741265 1316870014 /nfs/dbraw/zinc/87/00/14/1316870014.db2.gz KITJQPMPWKHNDG-UHFFFAOYSA-N 0 0 332.367 2.691 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842035 1317365407 /nfs/dbraw/zinc/36/54/07/1317365407.db2.gz KGMBBOBOXLUIHQ-TVQRCGJNSA-N 0 0 330.197 2.905 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000732051647 1321563927 /nfs/dbraw/zinc/56/39/27/1321563927.db2.gz XOJULYBAGMGENN-QJUZWUIZSA-N 0 0 334.372 2.785 10 10 EFCERN N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 ZINC000733781794 1321820448 /nfs/dbraw/zinc/82/04/48/1321820448.db2.gz NQIWIBHIWOZUAG-LCYFTJDESA-N 0 0 332.385 2.724 10 10 EFCERN CCOC(=O)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001290252752 1321891833 /nfs/dbraw/zinc/89/18/33/1321891833.db2.gz IVSUDUYQISYKCE-GOSISDBHSA-N 0 0 340.423 2.716 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn2ccccc12 ZINC001290719157 1321944352 /nfs/dbraw/zinc/94/43/52/1321944352.db2.gz MMFOKFXMHFKDQL-UHFFFAOYSA-N 0 0 348.410 2.625 10 10 EFCERN C[C@@H](COc1ccc(F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001291927506 1322023576 /nfs/dbraw/zinc/02/35/76/1322023576.db2.gz BESWLTOLEJTZGB-PPFSTCQPSA-N 0 0 331.343 2.834 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 ZINC001292057675 1322033184 /nfs/dbraw/zinc/03/31/84/1322033184.db2.gz DUCLSPCROCATDU-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1O ZINC001292278840 1322051810 /nfs/dbraw/zinc/05/18/10/1322051810.db2.gz YUVQTQNOVAZNHR-UHFFFAOYSA-N 0 0 330.359 2.730 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cc(F)c[nH]c2=O)cc1F ZINC001293225594 1322211194 /nfs/dbraw/zinc/21/11/94/1322211194.db2.gz XUENAQNGIKMLRT-UHFFFAOYSA-N 0 0 335.354 2.842 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1SCCc2ccccc21 ZINC001294121844 1322412936 /nfs/dbraw/zinc/41/29/36/1322412936.db2.gz KQROTGVFGXGIKJ-KRWDZBQOSA-N 0 0 329.421 2.787 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cc2ccccc2s1 ZINC001294582617 1322521607 /nfs/dbraw/zinc/52/16/07/1322521607.db2.gz LPAJNHDUTFPLBL-OAHLLOKOSA-N 0 0 343.404 2.705 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001294681885 1322542638 /nfs/dbraw/zinc/54/26/38/1322542638.db2.gz XWFIIJDYJNAHPH-CSKARUKUSA-N 0 0 328.368 2.536 10 10 EFCERN O=Cc1c(Br)nc2n1CCO/C2=C\c1cn(C2CC2)cn1 ZINC000901576269 1322645846 /nfs/dbraw/zinc/64/58/46/1322645846.db2.gz YNXBGIWZULLVEN-XGICHPGQSA-N 0 0 349.188 2.518 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC001295275033 1322669934 /nfs/dbraw/zinc/66/99/34/1322669934.db2.gz CMDGDPDLBISXFA-MOPGFXCFSA-N 0 0 344.455 2.549 10 10 EFCERN CON(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCOc2ccccc21 ZINC001295382506 1322691715 /nfs/dbraw/zinc/69/17/15/1322691715.db2.gz YFIMJKFMTTWJCS-HNNXBMFYSA-N 0 0 343.379 2.944 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC001295526543 1322717828 /nfs/dbraw/zinc/71/78/28/1322717828.db2.gz QGBHOCMTPGMOFP-UITAMQMPSA-N 0 0 325.364 2.673 10 10 EFCERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1O ZINC001295728850 1322761607 /nfs/dbraw/zinc/76/16/07/1322761607.db2.gz CYAUUTZXMAVTME-ZIAGYGMSSA-N 0 0 332.404 2.718 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC001295892149 1322799975 /nfs/dbraw/zinc/79/99/75/1322799975.db2.gz ONUREFOQMSDNSD-UONOGXRCSA-N 0 0 328.372 2.823 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC001295892150 1322800359 /nfs/dbraw/zinc/80/03/59/1322800359.db2.gz ONUREFOQMSDNSD-ZIAGYGMSSA-N 0 0 328.372 2.823 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001296247044 1322872920 /nfs/dbraw/zinc/87/29/20/1322872920.db2.gz REBPVDBXTMLBNU-VIFPVBQESA-N 0 0 334.303 2.506 10 10 EFCERN CCCOc1ccnc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001296648468 1322965431 /nfs/dbraw/zinc/96/54/31/1322965431.db2.gz LFGLFWNRPRJLCA-CQSZACIVSA-N 0 0 342.443 2.751 10 10 EFCERN Cc1cc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]n1 ZINC001298830379 1323617695 /nfs/dbraw/zinc/61/76/95/1323617695.db2.gz SUCBGUQMJORWTQ-UHFFFAOYSA-N 0 0 346.394 2.999 10 10 EFCERN Cc1ccc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)c(O)c1O ZINC001299776251 1323706461 /nfs/dbraw/zinc/70/64/61/1323706461.db2.gz SLFZFXHBNFJMLJ-UHFFFAOYSA-N 0 0 342.330 2.507 10 10 EFCERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001299893641 1323711758 /nfs/dbraw/zinc/71/17/58/1323711758.db2.gz VBNODYZJUDBDKZ-UHFFFAOYSA-N 0 0 345.830 2.695 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301123025 1324524077 /nfs/dbraw/zinc/52/40/77/1324524077.db2.gz XHSNKNVRJQIMHZ-UHFFFAOYSA-N 0 0 342.351 2.918 10 10 EFCERN C[C@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccccc1O ZINC001302538029 1324579700 /nfs/dbraw/zinc/57/97/00/1324579700.db2.gz DNZCYXYRBPINIM-NSHDSACASA-N 0 0 344.342 2.979 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1c(F)cccc1F ZINC001303225338 1324599073 /nfs/dbraw/zinc/59/90/73/1324599073.db2.gz GIXDWASCHGMEAZ-UHFFFAOYSA-N 0 0 345.305 2.696 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(c2cnc3ccccc3n2)C1 ZINC001303228857 1324599349 /nfs/dbraw/zinc/59/93/49/1324599349.db2.gz MTARHFYWYMLHFC-SOFGYWHQSA-N 0 0 347.374 2.680 10 10 EFCERN COC(=O)c1ccc(Cl)c(C(=O)NCc2c(O)cccc2F)c1 ZINC001303875196 1324623917 /nfs/dbraw/zinc/62/39/17/1324623917.db2.gz CTKDQMYKWKGLEH-UHFFFAOYSA-N 0 0 337.734 2.901 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(Cl)c2c(c1)OCCO2 ZINC001303879307 1324624917 /nfs/dbraw/zinc/62/49/17/1324624917.db2.gz XNFMWIPQSYGQDM-UHFFFAOYSA-N 0 0 337.734 2.886 10 10 EFCERN COc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2O)cc1F ZINC001304050033 1324634143 /nfs/dbraw/zinc/63/41/43/1324634143.db2.gz HAIAGZJGAAJFDN-UHFFFAOYSA-N 0 0 347.342 2.525 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001304053969 1324635444 /nfs/dbraw/zinc/63/54/44/1324635444.db2.gz YCPZIIYIOIIJDT-LSDHHAIUSA-N 0 0 329.421 2.861 10 10 EFCERN O=C(COc1ccc(C(F)(F)F)cc1)NCc1c(O)cccc1O ZINC001304051639 1324635471 /nfs/dbraw/zinc/63/54/71/1324635471.db2.gz ZMPAPDVZCXQDLW-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1OCCC1(C)C ZINC001304794128 1324662110 /nfs/dbraw/zinc/66/21/10/1324662110.db2.gz DPIIGJDMNZAHCY-INIZCTEOSA-N 0 0 330.432 2.744 10 10 EFCERN Cc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC001320595610 1329173403 /nfs/dbraw/zinc/17/34/03/1329173403.db2.gz HWMCZQITRAKMQP-KRWDZBQOSA-N 0 0 328.387 2.830 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2c[nH]cc(C)c2=O)cc1F ZINC001306552959 1324714919 /nfs/dbraw/zinc/71/49/19/1324714919.db2.gz LPGYIMPWOSPXFB-UHFFFAOYSA-N 0 0 331.391 2.599 10 10 EFCERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3ccccc3O)c2c1 ZINC001306945718 1324734876 /nfs/dbraw/zinc/73/48/76/1324734876.db2.gz ILKNGAIVECXROY-UHFFFAOYSA-N 0 0 340.295 2.791 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@](OC)(C(=O)[O-])C2)cc1 ZINC000901543120 1324747169 /nfs/dbraw/zinc/74/71/69/1324747169.db2.gz SALHYEBRDWHIPI-LJQANCHMSA-N 0 0 334.460 2.989 10 10 EFCERN CCN(CC)c1ccc(C[N@@H+]2CCSC[C@@H](C(=O)[O-])C2)cc1F ZINC000901892632 1324759551 /nfs/dbraw/zinc/75/95/51/1324759551.db2.gz YZVWHWMIMHZJRE-AWEZNQCLSA-N 0 0 340.464 2.922 10 10 EFCERN Cc1cc(C(=O)Cn2cncc(F)c2=O)c(C)n1-c1ccc(F)cc1 ZINC001307344942 1324761349 /nfs/dbraw/zinc/76/13/49/1324761349.db2.gz UJVNQPBDACTKGM-UHFFFAOYSA-N 0 0 343.333 2.812 10 10 EFCERN COC(=O)c1cc(CN(Cc2ccco2)Cc2ccccc2O)on1 ZINC001307567609 1324771686 /nfs/dbraw/zinc/77/16/86/1324771686.db2.gz SKRLWEWQKYMSTB-UHFFFAOYSA-N 0 0 342.351 2.962 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000752977653 1324771775 /nfs/dbraw/zinc/77/17/75/1324771775.db2.gz HACOAMJXVIQGNW-TXNVCOODSA-N 0 0 336.413 2.970 10 10 EFCERN O=C(NCc1ccnc(C(F)(F)F)c1)NCc1ccccc1O ZINC001312716791 1324992398 /nfs/dbraw/zinc/99/23/98/1324992398.db2.gz BJBFTUGDIJIQIV-UHFFFAOYSA-N 0 0 325.290 2.805 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCn2ccnc21 ZINC001312742269 1324993677 /nfs/dbraw/zinc/99/36/77/1324993677.db2.gz WAEZUCUIPTYXMS-KRWDZBQOSA-N 0 0 339.443 2.770 10 10 EFCERN C[C@@H]1C[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001321884597 1329414757 /nfs/dbraw/zinc/41/47/57/1329414757.db2.gz NHOXLHUPBITPAF-ZBFHGGJFSA-N 0 0 344.455 2.826 10 10 EFCERN O=C(NC/C=C/C1CC1)NCc1cc(Br)ccc1O ZINC001324738220 1329654916 /nfs/dbraw/zinc/65/49/16/1329654916.db2.gz WCUGPJVABDDGQK-OWOJBTEDSA-N 0 0 325.206 2.920 10 10 EFCERN CCOc1ccc(N2CCN([C@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC001327871332 1330525179 /nfs/dbraw/zinc/52/51/79/1330525179.db2.gz ZZVLSNGMANAEFQ-CQSZACIVSA-N 0 0 329.448 2.649 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001328009360 1330541436 /nfs/dbraw/zinc/54/14/36/1330541436.db2.gz HTUNWXKPZJDVDD-ZFWWWQNUSA-N 0 0 337.391 2.812 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1COCC2 ZINC001328275296 1330580416 /nfs/dbraw/zinc/58/04/16/1330580416.db2.gz XIBZRMPTLGESFB-LBPRGKRZSA-N 0 0 327.380 2.532 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC001328636361 1330611153 /nfs/dbraw/zinc/61/11/53/1330611153.db2.gz BXFBMCXDWZNZFR-LPHOPBHVSA-N 0 0 346.471 2.939 10 10 EFCERN CCOc1ccc(N2CCN(Cc3cc(Cl)n(C)n3)CC2)cc1 ZINC001328835283 1330638691 /nfs/dbraw/zinc/63/86/91/1330638691.db2.gz VUPIYOUSGHBSKK-UHFFFAOYSA-N 0 0 334.851 2.794 10 10 EFCERN Cc1cnc(C)nc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001329158245 1330675088 /nfs/dbraw/zinc/67/50/88/1330675088.db2.gz PFUGMPCOANBUMN-UHFFFAOYSA-N 0 0 334.370 2.820 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)CC(F)F ZINC001329390218 1330701542 /nfs/dbraw/zinc/70/15/42/1330701542.db2.gz XOASGYVXUWRPEV-LBPRGKRZSA-N 0 0 342.386 2.538 10 10 EFCERN O=C([C@H]1CCCCN1Cc1ccncc1)N1Cc2cccc(O)c2C1 ZINC001329665552 1330727116 /nfs/dbraw/zinc/72/71/16/1330727116.db2.gz DCCOSTJUIBZPSC-GOSISDBHSA-N 0 0 337.423 2.684 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCCC1(C)C ZINC001331372019 1330829266 /nfs/dbraw/zinc/82/92/66/1330829266.db2.gz VYQOKWQHBFTMHP-HNNXBMFYSA-N 0 0 332.444 2.683 10 10 EFCERN O=C(NCC[C@@H]1CCCOC1)NCc1ccc(N2CCCC2)cc1 ZINC001331504606 1330845070 /nfs/dbraw/zinc/84/50/70/1330845070.db2.gz PBOGMWTWMKKVSX-KRWDZBQOSA-N 0 0 331.460 2.903 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC001331708448 1330868442 /nfs/dbraw/zinc/86/84/42/1330868442.db2.gz KAMPPOKNPCYYJJ-GOSISDBHSA-N 0 0 338.407 2.504 10 10 EFCERN Cc1cc(CCNC(=O)CO[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001331825960 1330878540 /nfs/dbraw/zinc/87/85/40/1330878540.db2.gz IHUWXGJYMAVEMS-IBGZPJMESA-N 0 0 342.439 2.558 10 10 EFCERN CCOC(=O)[C@@]1(F)C[N@H+](Cc2c(O)cccc2OC)C[C@@H]1CC ZINC001332026740 1330906243 /nfs/dbraw/zinc/90/62/43/1330906243.db2.gz WKQCGWWRBJPLIW-YVEFUNNKSA-N 0 0 325.380 2.514 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C2CCC1(CO)CC2 ZINC001332352499 1330962043 /nfs/dbraw/zinc/96/20/43/1330962043.db2.gz RHDIBWVUVGMBPS-XRTORIHISA-N 0 0 345.487 2.691 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1C(F)F ZINC001332740006 1331013356 /nfs/dbraw/zinc/01/33/56/1331013356.db2.gz XWFUJNFSLJKSBP-UHFFFAOYSA-N 0 0 347.365 2.786 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3cc(F)ncc3C)C2)cc1 ZINC001332896286 1331035919 /nfs/dbraw/zinc/03/59/19/1331035919.db2.gz QNOAZSSJCBJWBY-CQSZACIVSA-N 0 0 343.402 2.794 10 10 EFCERN Cc1cc(CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001334546876 1331291507 /nfs/dbraw/zinc/29/15/07/1331291507.db2.gz AEABVPZZGIPPAE-JKSUJKDBSA-N 0 0 339.439 2.612 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCC2(CC2)C1 ZINC001335758233 1331398813 /nfs/dbraw/zinc/39/88/13/1331398813.db2.gz FOKQFKFJHUZSOC-INIZCTEOSA-N 0 0 343.471 2.516 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC=C(Cl)Cl)C2)cc1 ZINC001345909782 1332583449 /nfs/dbraw/zinc/58/34/49/1332583449.db2.gz RRMQWNKAVFSGKK-NSHDSACASA-N 0 0 344.242 2.892 10 10 EFCERN C[C@H](NC(=O)c1cnn2c1NC[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC001346765269 1332685468 /nfs/dbraw/zinc/68/54/68/1332685468.db2.gz VDPZDSKTUOLJMD-STQMWFEESA-N 0 0 327.432 2.502 10 10 EFCERN C[C@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC001346765267 1332685769 /nfs/dbraw/zinc/68/57/69/1332685769.db2.gz VDPZDSKTUOLJMD-OLZOCXBDSA-N 0 0 327.432 2.502 10 10 EFCERN CCNc1cccnc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001347053764 1332714849 /nfs/dbraw/zinc/71/48/49/1332714849.db2.gz QEALAJIIVYPIHM-UHFFFAOYSA-N 0 0 342.443 2.730 10 10 EFCERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cccc(O)c2O)c1 ZINC001347234393 1332726442 /nfs/dbraw/zinc/72/64/42/1332726442.db2.gz NTMRZGNBSGXBGP-UKRRQHHQSA-N 0 0 343.379 2.535 10 10 EFCERN COc1ccc(OCCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001347234369 1332726560 /nfs/dbraw/zinc/72/65/60/1332726560.db2.gz NDFWZNBHYZVEEY-UHFFFAOYSA-N 0 0 331.368 2.582 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(O)c1 ZINC001347300084 1332732901 /nfs/dbraw/zinc/73/29/01/1332732901.db2.gz WYPSCTDIIZOBRV-RTXFEEFZSA-N 0 0 326.343 2.634 10 10 EFCERN Cc1ccc(C)c(C(=O)CCC(=O)NCc2cccc(O)c2O)c1 ZINC001347531141 1332753129 /nfs/dbraw/zinc/75/31/29/1332753129.db2.gz RNQWYWDATLEHNQ-UHFFFAOYSA-N 0 0 327.380 2.994 10 10 EFCERN CCC(C)(C)[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001347558251 1332755780 /nfs/dbraw/zinc/75/57/80/1332755780.db2.gz CCIXPRJFUMVQAR-KGLIPLIRSA-N 0 0 333.476 2.871 10 10 EFCERN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc(C(F)(F)F)no1 ZINC001347618553 1332760688 /nfs/dbraw/zinc/76/06/88/1332760688.db2.gz AXVDTXSYQAKWTF-ZETCQYMHSA-N 0 0 342.277 2.580 10 10 EFCERN COC(=O)c1ccc([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)n1C ZINC001347644911 1332763383 /nfs/dbraw/zinc/76/33/83/1332763383.db2.gz IQUSKXLFIZMDKO-CYBMUJFWSA-N 0 0 348.424 2.946 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c(O)c1O ZINC001347867733 1332779717 /nfs/dbraw/zinc/77/97/17/1332779717.db2.gz ILTXGRGOXDHRFQ-CVEARBPZSA-N 0 0 329.396 2.894 10 10 EFCERN COC(=O)c1oc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC001348135724 1332802761 /nfs/dbraw/zinc/80/27/61/1332802761.db2.gz ZIOYTTONAQASEV-UHFFFAOYSA-N 0 0 342.395 2.687 10 10 EFCERN COc1ccc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])cc1Cn1cccn1 ZINC001348808640 1332873094 /nfs/dbraw/zinc/87/30/94/1332873094.db2.gz ZLBLJPOOWADODF-INIZCTEOSA-N 0 0 343.427 2.531 10 10 EFCERN Cc1ccccc1C1=NO[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001348908407 1332882949 /nfs/dbraw/zinc/88/29/49/1332882949.db2.gz BIKDZIFAPBNRFV-LJQANCHMSA-N 0 0 337.423 2.870 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ncc3cc(Cl)ccn32)cc1 ZINC001348910190 1332883624 /nfs/dbraw/zinc/88/36/24/1332883624.db2.gz MKSVJTYMRDJZAJ-UHFFFAOYSA-N 0 0 328.803 2.984 10 10 EFCERN CC(C)(COCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001349079622 1332903468 /nfs/dbraw/zinc/90/34/68/1332903468.db2.gz OQAZUXMUMMLWPF-UHFFFAOYSA-N 0 0 329.396 2.957 10 10 EFCERN Cc1nn(C)cc1CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349106226 1332906355 /nfs/dbraw/zinc/90/63/55/1332906355.db2.gz AZZQTCVZADSESV-UHFFFAOYSA-N 0 0 340.471 2.920 10 10 EFCERN CC(=O)N1CC[C@@](C)(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001349116898 1332906705 /nfs/dbraw/zinc/90/67/05/1332906705.db2.gz FCLAJCKSOUFKEQ-HXUWFJFHSA-N 0 0 343.471 2.504 10 10 EFCERN Cc1cc(C(=O)NC2(c3ncon3)CCC2)c(C)n1-c1ccccn1 ZINC001349532664 1332965830 /nfs/dbraw/zinc/96/58/30/1332965830.db2.gz TYPYKTCWSZSCKP-UHFFFAOYSA-N 0 0 337.383 2.681 10 10 EFCERN COc1ccc(C[C@@H](C)C(=O)NCc2cccc(O)c2O)cc1OC ZINC001350299637 1333060685 /nfs/dbraw/zinc/06/06/85/1333060685.db2.gz GURWPKLNFOVITO-GFCCVEGCSA-N 0 0 345.395 2.610 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC001350715358 1333119932 /nfs/dbraw/zinc/11/99/32/1333119932.db2.gz GYFKYVULVAEKIA-CRAIPNDOSA-N 0 0 332.444 2.549 10 10 EFCERN CN(C)c1ccc(CNC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1 ZINC001350802284 1333135505 /nfs/dbraw/zinc/13/55/05/1333135505.db2.gz BDNMZEBRLXHCON-IEBWSBKVSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@]2(CO)c2ccccc2)c(O)c1O ZINC001350992858 1333163593 /nfs/dbraw/zinc/16/35/93/1333163593.db2.gz SGGQBIWURQOSMW-LJQANCHMSA-N 0 0 327.380 2.530 10 10 EFCERN CCC(=O)N1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351163672 1333188689 /nfs/dbraw/zinc/18/86/89/1333188689.db2.gz QUTJCPZBQOWIPA-QGZVFWFLSA-N 0 0 343.471 2.504 10 10 EFCERN C[C@@H](c1nnc(N(C)Cc2ccccc2O)n1CC1CC1)C(C)(C)O ZINC001351253244 1333202030 /nfs/dbraw/zinc/20/20/30/1333202030.db2.gz BYKJGCJPLBWBQB-ZDUSSCGKSA-N 0 0 344.459 2.905 10 10 EFCERN CCn1cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001351502151 1333241426 /nfs/dbraw/zinc/24/14/26/1333241426.db2.gz RQJQKPNRZAEUAX-UHFFFAOYSA-N 0 0 345.418 2.538 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC001351520674 1333243743 /nfs/dbraw/zinc/24/37/43/1333243743.db2.gz FCJJGTVFJRFLFI-AWEZNQCLSA-N 0 0 339.395 2.626 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccnn1C ZINC001351673577 1333266726 /nfs/dbraw/zinc/26/67/26/1333266726.db2.gz KSLMGKNHEJWOBW-UHFFFAOYSA-N 0 0 326.444 2.612 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCc1ccncc1 ZINC001351673708 1333267057 /nfs/dbraw/zinc/26/70/57/1333267057.db2.gz NGTGUGVMIIKRSS-UHFFFAOYSA-N 0 0 339.439 2.857 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3ncc(Cl)cn3)CC2)cc1 ZINC001352536510 1333586658 /nfs/dbraw/zinc/58/66/58/1333586658.db2.gz DDDGUVIQWZUQPK-UHFFFAOYSA-N 0 0 346.818 2.537 10 10 EFCERN CO[C@H]1COCC[C@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352614786 1333632095 /nfs/dbraw/zinc/63/20/95/1333632095.db2.gz IZJVAFNSYYKYBJ-HKUYNNGSSA-N 0 0 346.471 2.687 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)C2CCOCC2)cc1 ZINC001300228269 1334012448 /nfs/dbraw/zinc/01/24/48/1334012448.db2.gz NUSVSAGXMKZDCA-OAHLLOKOSA-N 0 0 330.388 2.784 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccnc2[nH]cnc21 ZINC000848226892 1334479248 /nfs/dbraw/zinc/47/92/48/1334479248.db2.gz WVHIXYAYIQMFHD-UHFFFAOYSA-N 0 0 335.411 2.878 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3OC(C)(C)C)CC2)cc1 ZINC001355031166 1334665320 /nfs/dbraw/zinc/66/53/20/1334665320.db2.gz KHXKNEARWNSGLB-QZTJIDSGSA-N 0 0 346.471 2.938 10 10 EFCERN Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1O ZINC000848347947 1334680391 /nfs/dbraw/zinc/68/03/91/1334680391.db2.gz VILIOEBLGKPBMC-MWLCHTKSSA-N 0 0 333.306 2.636 10 10 EFCERN O=C(/C=C/[C@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355287679 1334730789 /nfs/dbraw/zinc/73/07/89/1334730789.db2.gz LFOBXOWBAXCTJD-NPQIQWPPSA-N 0 0 334.379 2.928 10 10 EFCERN COc1ccc(N2CCC(Nc3ncnc(C)c3OC)CC2)cc1 ZINC000848661871 1334829718 /nfs/dbraw/zinc/82/97/18/1334829718.db2.gz YNYIKSQRNQGTGD-UHFFFAOYSA-N 0 0 328.416 2.883 10 10 EFCERN COc1c(C)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000848923784 1334988822 /nfs/dbraw/zinc/98/88/22/1334988822.db2.gz PRQKWWAGDUODIV-UHFFFAOYSA-N 0 0 332.356 2.916 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)ccc1[N+](=O)[O-] ZINC000848928826 1334992577 /nfs/dbraw/zinc/99/25/77/1334992577.db2.gz ORWJDYPVQJSZMN-ZDUSSCGKSA-N 0 0 336.388 2.890 10 10 EFCERN COC(=O)c1coc(/C=C\C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001356250178 1335001576 /nfs/dbraw/zinc/00/15/76/1335001576.db2.gz BFSIVTPTPNFYTP-ALCCZGGFSA-N 0 0 346.358 2.601 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000935943859 1335464194 /nfs/dbraw/zinc/46/41/94/1335464194.db2.gz GPKULQUJGXAJIW-LLVKDONJSA-N 0 0 334.416 2.656 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@](C)(O)c1ccc(F)cc1 ZINC000935946426 1335464723 /nfs/dbraw/zinc/46/47/23/1335464723.db2.gz HFKMVSYCVDANBJ-GOSISDBHSA-N 0 0 338.375 2.541 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cc2ccccc2n1 ZINC000935946200 1335464775 /nfs/dbraw/zinc/46/47/75/1335464775.db2.gz BBLOWBDGJGWUKC-UHFFFAOYSA-N 0 0 330.384 2.544 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CCCC3)CC1)cc2=O ZINC000849344390 1335595590 /nfs/dbraw/zinc/59/55/90/1335595590.db2.gz KOVJLSIJZBWKAI-UHFFFAOYSA-N 0 0 344.415 2.679 10 10 EFCERN CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCOC1 ZINC000849678914 1335693496 /nfs/dbraw/zinc/69/34/96/1335693496.db2.gz BITNJQJZKOGWEZ-WBVHZDCISA-N 0 0 344.411 2.697 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000849859456 1335782565 /nfs/dbraw/zinc/78/25/65/1335782565.db2.gz NUTWNZUGCRHFTL-CGTJXYLNSA-N 0 0 344.455 2.690 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)[C@@H](C)C3)CC2)cc1 ZINC001545931428 1389608232 /nfs/dbraw/zinc/60/82/32/1389608232.db2.gz IISHJWWGOIBRFK-JKSUJKDBSA-N 0 0 344.455 2.739 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)nc[nH]c3=O)c1 ZINC001445963154 1391545140 /nfs/dbraw/zinc/54/51/40/1391545140.db2.gz AVXACPNYICVGRN-JTQLQIEISA-N 0 0 339.351 2.541 10 10 EFCERN Cc1cccnc1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001449999264 1392488578 /nfs/dbraw/zinc/48/85/78/1392488578.db2.gz LFHPSFSCKOGGGC-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1Cc2cc(F)ccc2O1 ZINC001451959407 1392856669 /nfs/dbraw/zinc/85/66/69/1392856669.db2.gz YCATWXOGNUMSQC-MRXNPFEDSA-N 0 0 338.338 2.699 10 10 EFCERN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cccc(O)c1O ZINC001454574860 1393062478 /nfs/dbraw/zinc/06/24/78/1393062478.db2.gz LCEPIUOJPFYKHX-UHFFFAOYSA-N 0 0 328.343 2.999 10 10 EFCERN CCOC(=O)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001454826010 1394275565 /nfs/dbraw/zinc/27/55/65/1394275565.db2.gz SRQDXPUZWRJMMS-SUMWQHHRSA-N 0 0 327.380 2.916 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccc(F)cc1 ZINC001455356841 1394593516 /nfs/dbraw/zinc/59/35/16/1394593516.db2.gz LEHDEFVVKAGIJH-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN COc1ccc(/C=C(/C)C(=O)NCc2cc(O)ccc2O)cc1F ZINC001455355557 1394593937 /nfs/dbraw/zinc/59/39/37/1394593937.db2.gz CTRNDEXHOOBEOW-XFFZJAGNSA-N 0 0 331.343 2.965 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cnnn2C)ccc1C ZINC001456334062 1394669336 /nfs/dbraw/zinc/66/93/36/1394669336.db2.gz POFBYKNFCXQNTE-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cnn(C)c1 ZINC001456673383 1394757903 /nfs/dbraw/zinc/75/79/03/1394757903.db2.gz RZCKVHLPDWPCDJ-AWEZNQCLSA-N 0 0 328.376 2.710 10 10 EFCERN Cc1cc(C(=O)N[C@@H](CO)C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC001456764544 1394797670 /nfs/dbraw/zinc/79/76/70/1394797670.db2.gz MZNMCFICMBRLHA-AWEZNQCLSA-N 0 0 344.308 2.886 10 10 EFCERN O=C(NCc1ccc(CCO)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001456934504 1394872506 /nfs/dbraw/zinc/87/25/06/1394872506.db2.gz IVVRNPOKYCMFIE-UHFFFAOYSA-N 0 0 343.404 2.777 10 10 EFCERN CC(C)Oc1cnccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001456960372 1394893292 /nfs/dbraw/zinc/89/32/92/1394893292.db2.gz WLRFGKLKVYHNKS-UHFFFAOYSA-N 0 0 327.344 2.705 10 10 EFCERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001457034915 1394933747 /nfs/dbraw/zinc/93/37/47/1394933747.db2.gz IUPQVLRDOXFIGK-UHFFFAOYSA-N 0 0 338.722 2.952 10 10 EFCERN C[C@H](c1ccccc1F)[C@H](O)C(=O)NCc1cccc(Cl)c1O ZINC001457038569 1394935788 /nfs/dbraw/zinc/93/57/88/1394935788.db2.gz XGVGRTRKTLHLNQ-BMIGLBTASA-N 0 0 337.778 2.966 10 10 EFCERN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(F)cn1 ZINC001458833584 1395615120 /nfs/dbraw/zinc/61/51/20/1395615120.db2.gz HLGFDLFNPGTNAX-UHFFFAOYSA-N 0 0 331.376 2.721 10 10 EFCERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1cccc(C)c1 ZINC001459214125 1395757422 /nfs/dbraw/zinc/75/74/22/1395757422.db2.gz VWHSBTBSAZMEAF-UHFFFAOYSA-N 0 0 339.355 2.785 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@]23CCO[C@@H]2CCCC3)cc1 ZINC001461339289 1396371450 /nfs/dbraw/zinc/37/14/50/1396371450.db2.gz SHEHJAJCROFDSG-QUCCMNQESA-N 0 0 346.471 2.939 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCCc1c[nH]nn1 ZINC001463814681 1396523410 /nfs/dbraw/zinc/52/34/10/1396523410.db2.gz RDAQSLUEAWMTOQ-UHFFFAOYSA-N 0 0 341.459 2.776 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC001463987447 1396536145 /nfs/dbraw/zinc/53/61/45/1396536145.db2.gz GWMVDAUVUCKBGY-UHFFFAOYSA-N 0 0 339.391 2.762 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)cc1 ZINC001464010768 1396538185 /nfs/dbraw/zinc/53/81/85/1396538185.db2.gz UUVHGMULYXQFNS-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC001464562811 1396585631 /nfs/dbraw/zinc/58/56/31/1396585631.db2.gz JBMGKCAROSMXBK-UHFFFAOYSA-N 0 0 326.360 2.592 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3cn[nH]c3)CC2)cc1 ZINC001465395164 1396676487 /nfs/dbraw/zinc/67/64/87/1396676487.db2.gz PXVRYNDAFIUPAQ-UHFFFAOYSA-N 0 0 326.360 2.592 10 10 EFCERN CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCCO[C@@H]21 ZINC001465534395 1396688408 /nfs/dbraw/zinc/68/84/08/1396688408.db2.gz LMSQRUUBVPGMFQ-MJBXVCDLSA-N 0 0 330.388 2.782 10 10 EFCERN CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCCO[C@H]21 ZINC001465534392 1396688771 /nfs/dbraw/zinc/68/87/71/1396688771.db2.gz LMSQRUUBVPGMFQ-BFHYXJOUSA-N 0 0 330.388 2.782 10 10 EFCERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465712338 1396705590 /nfs/dbraw/zinc/70/55/90/1396705590.db2.gz HOJVXKLOOQWEBX-FNODVLLQSA-N 0 0 347.436 2.597 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccc2ccccc2c1 ZINC001465893089 1396720792 /nfs/dbraw/zinc/72/07/92/1396720792.db2.gz MNFJGEBAMORNHM-IBGZPJMESA-N 0 0 337.375 2.643 10 10 EFCERN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC001465954621 1396725884 /nfs/dbraw/zinc/72/58/84/1396725884.db2.gz RKBLXSJVUZDZTH-UHFFFAOYSA-N 0 0 341.392 2.855 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cccc2[nH]c(C(F)F)nc21 ZINC001465981296 1396727991 /nfs/dbraw/zinc/72/79/91/1396727991.db2.gz IKWHZIRYRCZRIE-UHFFFAOYSA-N 0 0 347.321 2.884 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2csnn2)cc1 ZINC001465982226 1396728113 /nfs/dbraw/zinc/72/81/13/1396728113.db2.gz YDKXSHRIVRDGIG-UHFFFAOYSA-N 0 0 341.392 2.589 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)COC(=O)N3)c1 ZINC001465992687 1396729089 /nfs/dbraw/zinc/72/90/89/1396729089.db2.gz KVFIIGBCZPRHNV-JTQLQIEISA-N 0 0 342.351 2.954 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3[nH]cnc3c2F)c1 ZINC001465992806 1396729798 /nfs/dbraw/zinc/72/97/98/1396729798.db2.gz MXDIFJYDTJNTIC-SECBINFHSA-N 0 0 329.331 2.907 10 10 EFCERN COC(=O)c1cc(F)cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001465993537 1396730137 /nfs/dbraw/zinc/73/01/37/1396730137.db2.gz RZTHKTKTNWXJEO-JTQLQIEISA-N 0 0 347.342 2.818 10 10 EFCERN O=C(NC[C@@H](CO)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001466016565 1396731269 /nfs/dbraw/zinc/73/12/69/1396731269.db2.gz MLGDNTMAEPJTSJ-ZDUSSCGKSA-N 0 0 343.404 2.818 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)c2ccccc2)cc1 ZINC001466030152 1396732656 /nfs/dbraw/zinc/73/26/56/1396732656.db2.gz PRQLBBQWPOGCTI-OAHLLOKOSA-N 0 0 326.356 2.703 10 10 EFCERN COc1ccc2[nH]nc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2c1 ZINC001466141065 1396739930 /nfs/dbraw/zinc/73/99/30/1396739930.db2.gz IXNPMNKEDNBJKB-UHFFFAOYSA-N 0 0 338.327 2.986 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1N ZINC001466790037 1396785572 /nfs/dbraw/zinc/78/55/72/1396785572.db2.gz AIKAECUXFREFIJ-MRVPVSSYSA-N 0 0 338.766 2.834 10 10 EFCERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(N(C)C)cc1 ZINC001467261149 1396831557 /nfs/dbraw/zinc/83/15/57/1396831557.db2.gz ZTKWLPNYBIFOPZ-MRVPVSSYSA-N 0 0 337.767 2.528 10 10 EFCERN CO[C@@H]1CCOc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc21 ZINC001467661303 1396882337 /nfs/dbraw/zinc/88/23/37/1396882337.db2.gz KPZWXPCENIOURM-MRXNPFEDSA-N 0 0 329.352 2.749 10 10 EFCERN Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001467883284 1396905913 /nfs/dbraw/zinc/90/59/13/1396905913.db2.gz OSXXHABUWILTRR-ZDUSSCGKSA-N 0 0 342.359 2.908 10 10 EFCERN Cc1cccnc1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001468007553 1396917469 /nfs/dbraw/zinc/91/74/69/1396917469.db2.gz HWMUCPVLRNQKIM-UHFFFAOYSA-N 0 0 325.372 2.915 10 10 EFCERN CCOc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2o1 ZINC001468259052 1396940135 /nfs/dbraw/zinc/94/01/35/1396940135.db2.gz VAMDPDWBAVFJMI-UHFFFAOYSA-N 0 0 328.324 2.819 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccc(F)cc2)on1 ZINC001469159509 1397006161 /nfs/dbraw/zinc/00/61/61/1397006161.db2.gz KOBPSYWSNBOYGD-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN Cn1cc(-c2ccc(F)c(C(=O)NCc3ccc(O)cc3O)c2)cn1 ZINC001469159748 1397006993 /nfs/dbraw/zinc/00/69/93/1397006993.db2.gz MTTLAYZMCUUROS-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN CCc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccc1 ZINC001469158530 1397007018 /nfs/dbraw/zinc/00/70/18/1397007018.db2.gz APJNTFKLTZTDEI-UHFFFAOYSA-N 0 0 337.379 2.776 10 10 EFCERN CCOc1nc(C)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469247598 1397014587 /nfs/dbraw/zinc/01/45/87/1397014587.db2.gz CODDUUWQSWGYRD-UHFFFAOYSA-N 0 0 337.379 2.973 10 10 EFCERN O=Cc1cc(F)c(C(=O)NCc2ccc3cccnc3c2O)cc1F ZINC001469247823 1397014668 /nfs/dbraw/zinc/01/46/68/1397014668.db2.gz BTJYKCWHNYIGPQ-UHFFFAOYSA-N 0 0 342.301 2.961 10 10 EFCERN CC(=O)NCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001469248959 1397015410 /nfs/dbraw/zinc/01/54/10/1397015410.db2.gz JXRIGNHCMKRMHP-UHFFFAOYSA-N 0 0 349.390 2.507 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1nccc2cccnc21 ZINC001469248947 1397016036 /nfs/dbraw/zinc/01/60/36/1397016036.db2.gz KKMIXHDKAMUGCJ-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001469576461 1397039942 /nfs/dbraw/zinc/03/99/42/1397039942.db2.gz OVZHWELPIMMGTQ-INIZCTEOSA-N 0 0 348.443 3.000 10 10 EFCERN Cc1cc(CC(=O)Nn2cnnc2)c(C)n1-c1ccc(Cl)cc1 ZINC001546184396 1397140340 /nfs/dbraw/zinc/14/03/40/1397140340.db2.gz GLQJFPWUISSONI-UHFFFAOYSA-N 0 0 329.791 2.652 10 10 EFCERN C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1O ZINC001471195389 1397149456 /nfs/dbraw/zinc/14/94/56/1397149456.db2.gz GMAFDDQOHXBDLP-LLVKDONJSA-N 0 0 332.787 2.653 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cnc2c(F)ccc(F)c2c1 ZINC001471641915 1397191434 /nfs/dbraw/zinc/19/14/34/1397191434.db2.gz AQHMITCSTLIOEU-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCc3cc(O)ccc3O)c2c1 ZINC001471660890 1397194648 /nfs/dbraw/zinc/19/46/48/1397194648.db2.gz CLWXLVCCVMJGML-UHFFFAOYSA-N 0 0 342.326 2.729 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001471660625 1397195057 /nfs/dbraw/zinc/19/50/57/1397195057.db2.gz FRAQRQZJPAGVIH-QGZVFWFLSA-N 0 0 343.379 2.586 10 10 EFCERN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cc(O)ccc1O ZINC001471661370 1397195319 /nfs/dbraw/zinc/19/53/19/1397195319.db2.gz PKVGPZHPIKWXTO-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN CCOC(=O)[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001471933182 1397223800 /nfs/dbraw/zinc/22/38/00/1397223800.db2.gz JZOLLEWHLUTXAH-IBGZPJMESA-N 0 0 343.379 2.615 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001471975807 1397229298 /nfs/dbraw/zinc/22/92/98/1397229298.db2.gz ICOAUOWYERZSMM-UHFFFAOYSA-N 0 0 329.287 2.851 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(O)cc(Br)c1 ZINC001471976196 1397229306 /nfs/dbraw/zinc/22/93/06/1397229306.db2.gz SSCRJAMUFLMTBQ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cn1cc(C(=O)NCc2c(O)cccc2F)c(-c2cccs2)n1 ZINC001471975656 1397229796 /nfs/dbraw/zinc/22/97/96/1397229796.db2.gz BUZQFDRNHIZRIE-UHFFFAOYSA-N 0 0 331.372 2.923 10 10 EFCERN COc1ccc([S@](C)(=O)=NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001471989499 1397231746 /nfs/dbraw/zinc/23/17/46/1397231746.db2.gz OWVREVJOPLGLSO-GRTFMCAFSA-N 0 0 347.392 2.803 10 10 EFCERN Cc1ccc(C(=O)NCc2sncc2Br)c(O)c1O ZINC001472022378 1397235335 /nfs/dbraw/zinc/23/53/35/1397235335.db2.gz OUAKMTCMRQOUMI-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN CC1=NN(c2ccc(C(=O)NCc3c(O)cccc3O)cc2)CC1 ZINC001472063209 1397242186 /nfs/dbraw/zinc/24/21/86/1397242186.db2.gz GXNHYGBCCPEEJS-UHFFFAOYSA-N 0 0 325.368 2.614 10 10 EFCERN CCc1c(C(=O)NCc2c(O)cccc2O)cnn1CCC(C)C ZINC001472064495 1397242405 /nfs/dbraw/zinc/24/24/05/1397242405.db2.gz YZGQLWUEUVCECT-UHFFFAOYSA-N 0 0 331.416 2.833 10 10 EFCERN O=C(Cc1coc2c1ccc(F)c2F)NCc1c(O)cccc1O ZINC001472063579 1397242440 /nfs/dbraw/zinc/24/24/40/1397242440.db2.gz NIQQUAQUPIQUKT-UHFFFAOYSA-N 0 0 333.290 2.981 10 10 EFCERN Cc1cnc(COCC(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001472085632 1397245208 /nfs/dbraw/zinc/24/52/08/1397245208.db2.gz YNHHESZUYBQRLN-UHFFFAOYSA-N 0 0 326.352 2.675 10 10 EFCERN COc1ccc(N(CC(=O)N2C[C@H](C)OC(C)(C)C2)CC2CC2)cc1 ZINC001473484431 1397305178 /nfs/dbraw/zinc/30/51/78/1397305178.db2.gz BZHJYUCXAWWJKI-HNNXBMFYSA-N 0 0 346.471 2.938 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001473612963 1397315421 /nfs/dbraw/zinc/31/54/21/1397315421.db2.gz DKBOLTSTOHRRRR-CRAIPNDOSA-N 0 0 334.460 2.843 10 10 EFCERN COc1ccc(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001473612927 1397315755 /nfs/dbraw/zinc/31/57/55/1397315755.db2.gz BSLNRUYEZLSACJ-UHFFFAOYSA-N 0 0 329.356 2.703 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC001478560176 1397584302 /nfs/dbraw/zinc/58/43/02/1397584302.db2.gz DKCFSSQMJWYHHR-KRWDZBQOSA-N 0 0 331.460 2.855 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1Cc2ccccc2O1 ZINC001478646995 1397586488 /nfs/dbraw/zinc/58/64/88/1397586488.db2.gz ZCJRRASYDIOECO-CQSZACIVSA-N 0 0 332.787 2.849 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CCCO1 ZINC001498676002 1402237294 /nfs/dbraw/zinc/23/72/94/1402237294.db2.gz VXGHCLNABAKJTG-GOSISDBHSA-N 0 0 330.432 2.752 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@H](OC)C2)cc1 ZINC001501835349 1403809762 /nfs/dbraw/zinc/80/97/62/1403809762.db2.gz WTPCDOIBTUTNBJ-SFHVURJKSA-N 0 0 343.475 2.706 10 10 EFCERN CCC[C@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001503206797 1404475619 /nfs/dbraw/zinc/47/56/19/1404475619.db2.gz QCMKDRFANHZNDX-RYUDHWBXSA-N 0 0 347.419 2.520 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(O)CCCC1 ZINC001503487209 1404485639 /nfs/dbraw/zinc/48/56/39/1404485639.db2.gz JAMGIOBTWXGLTI-UHFFFAOYSA-N 0 0 342.443 2.803 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2ncon2)c1 ZINC001546319187 1412527683 /nfs/dbraw/zinc/52/76/83/1412527683.db2.gz RUEBTWBJJLFLTQ-UHFFFAOYSA-N 0 0 338.367 2.562 10 10 EFCERN CCc1nnc(N(C)CC)n1Cc1ccc(N2CCSCC2)cc1 ZINC001513791141 1413645550 /nfs/dbraw/zinc/64/55/50/1413645550.db2.gz MTMMIGLLQMYSHK-UHFFFAOYSA-N 0 0 345.516 2.898 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001556158312 1415056430 /nfs/dbraw/zinc/05/64/30/1415056430.db2.gz WZBGOPVCCYVYAG-VIFPVBQESA-N 0 0 334.303 2.506 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(NC(C)=O)c(Cl)c2)c(O)c1 ZINC001556354906 1415065553 /nfs/dbraw/zinc/06/55/53/1415065553.db2.gz YOVWZGHRGQUUJQ-UHFFFAOYSA-N 0 0 348.786 2.943 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001556515718 1415073844 /nfs/dbraw/zinc/07/38/44/1415073844.db2.gz JFPCDTJJTFOANI-UHFFFAOYSA-N 0 0 333.340 2.655 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1c(F)cccc1N1CCCC1 ZINC001556566701 1415076297 /nfs/dbraw/zinc/07/62/97/1415076297.db2.gz COOOLMQUDIKTMM-UHFFFAOYSA-N 0 0 344.386 2.696 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2cncc(Cl)c2)cc1 ZINC001556572122 1415076974 /nfs/dbraw/zinc/07/69/74/1415076974.db2.gz JNRGCLREFPLDJP-UHFFFAOYSA-N 0 0 347.762 2.706 10 10 EFCERN COc1cccc([C@@H]2C[C@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001556616833 1415079698 /nfs/dbraw/zinc/07/96/98/1415079698.db2.gz AAZNEUXVSCWTOU-BWVNKGDMSA-N 0 0 325.364 2.792 10 10 EFCERN COC[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001556654857 1415080583 /nfs/dbraw/zinc/08/05/83/1415080583.db2.gz QSLUZMHOCLBGSE-LBPRGKRZSA-N 0 0 335.787 2.911 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N[C@@H](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001556671255 1415081321 /nfs/dbraw/zinc/08/13/21/1415081321.db2.gz XPNWHKHYPRKZRV-AWEZNQCLSA-N 0 0 339.439 2.671 10 10 EFCERN CO[C@@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001556682655 1415082141 /nfs/dbraw/zinc/08/21/41/1415082141.db2.gz GULFMEWENYAPED-JARZOMNASA-N 0 0 327.380 2.789 10 10 EFCERN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001556722659 1415084012 /nfs/dbraw/zinc/08/40/12/1415084012.db2.gz YMDZBFKRKGYMRT-RUFWOKOUSA-N 0 0 347.798 2.956 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(N(C)C)ccn1 ZINC001557063490 1415103388 /nfs/dbraw/zinc/10/33/88/1415103388.db2.gz PYBKCWZMLQYTLE-HNNXBMFYSA-N 0 0 340.471 2.883 10 10 EFCERN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(O)cc1O ZINC001557084895 1415103693 /nfs/dbraw/zinc/10/36/93/1415103693.db2.gz SBMLTGJKPQZHEV-UHFFFAOYSA-N 0 0 341.392 2.855 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC001557085642 1415104468 /nfs/dbraw/zinc/10/44/68/1415104468.db2.gz RNUOMAOVZYCJIF-UHFFFAOYSA-N 0 0 345.782 2.668 10 10 EFCERN CC(=O)Nc1ccccc1CC(=O)NCc1ccc2cccnc2c1O ZINC001557121826 1415106317 /nfs/dbraw/zinc/10/63/17/1415106317.db2.gz BOSAXTBRBWUIAS-UHFFFAOYSA-N 0 0 349.390 2.758 10 10 EFCERN Cc1nc(N(C)C)sc1C(=O)NCc1ccc2cccnc2c1O ZINC001557122248 1415106535 /nfs/dbraw/zinc/10/65/35/1415106535.db2.gz FQWXBRXYZKUHPR-UHFFFAOYSA-N 0 0 342.424 2.701 10 10 EFCERN Cc1nc2ccccc2n1CC(=O)NCc1ccc2cccnc2c1O ZINC001557124017 1415107249 /nfs/dbraw/zinc/10/72/49/1415107249.db2.gz STCOPXBKDRTOSL-UHFFFAOYSA-N 0 0 346.390 2.915 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CSc2ccccc2O1 ZINC001557168927 1415110158 /nfs/dbraw/zinc/11/01/58/1415110158.db2.gz YUVVLVGXWQCSJD-ZDUSSCGKSA-N 0 0 345.420 2.700 10 10 EFCERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001557241562 1415114699 /nfs/dbraw/zinc/11/46/99/1415114699.db2.gz SCZITKJNIIHEAB-JTQLQIEISA-N 0 0 334.376 2.557 10 10 EFCERN C[C@@H](NC(=O)c1cnnn1-c1cccc(F)c1)c1ccccc1O ZINC001557966476 1415152971 /nfs/dbraw/zinc/15/29/71/1415152971.db2.gz CQCNKABOLNFTTN-LLVKDONJSA-N 0 0 326.331 2.603 10 10 EFCERN Cc1ccc(C(=O)NCc2ncc(Br)s2)c(O)c1O ZINC001558051082 1415157640 /nfs/dbraw/zinc/15/76/40/1415157640.db2.gz TWRWQXHMCCLVON-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN O=C(NCc1cccc(O)c1O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001558161169 1415163349 /nfs/dbraw/zinc/16/33/49/1415163349.db2.gz HVNLHBDJVJRXIK-INIZCTEOSA-N 0 0 347.317 2.824 10 10 EFCERN O=C(CCc1nc2ccccc2s1)NCc1cc(O)ccc1O ZINC001558174763 1415163744 /nfs/dbraw/zinc/16/37/44/1415163744.db2.gz SZPYLQJXYSTQOE-UHFFFAOYSA-N 0 0 328.393 2.957 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC001558175556 1415164731 /nfs/dbraw/zinc/16/47/31/1415164731.db2.gz VPCLBOPERJCMRV-UHFFFAOYSA-N 0 0 345.782 2.668 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001558456594 1415180859 /nfs/dbraw/zinc/18/08/59/1415180859.db2.gz BSBOTEYNAULJJA-UHFFFAOYSA-N 0 0 332.331 2.948 10 10 EFCERN COC(=O)[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC001558477660 1415182681 /nfs/dbraw/zinc/18/26/81/1415182681.db2.gz DGYJZRCIGGAXGX-LJQANCHMSA-N 0 0 342.439 2.950 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001558533577 1415186333 /nfs/dbraw/zinc/18/63/33/1415186333.db2.gz HSOYEEDKLQBMCS-UHFFFAOYSA-N 0 0 348.786 2.865 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)C1(O)Cc2ccccc2C1 ZINC001558553953 1415188232 /nfs/dbraw/zinc/18/82/32/1415188232.db2.gz HFMZIJKCPDAQFD-UHFFFAOYSA-N 0 0 333.387 2.692 10 10 EFCERN Cc1cnc2c(C(=O)NCc3c(O)ccc4ccccc43)cnn2c1 ZINC001558555261 1415188407 /nfs/dbraw/zinc/18/84/07/1415188407.db2.gz WRPCJDUTXFIZRE-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN Cc1ncc2n1C[C@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001558554727 1415188441 /nfs/dbraw/zinc/18/84/41/1415188441.db2.gz UZLNUPDUZRPVEV-OAHLLOKOSA-N 0 0 335.407 2.929 10 10 EFCERN O=C(Nc1nc(-c2cccnc2Cl)ns1)c1cccc(O)c1O ZINC001559002211 1415216977 /nfs/dbraw/zinc/21/69/77/1415216977.db2.gz BHQGZTKWLDECKK-UHFFFAOYSA-N 0 0 348.771 2.917 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001563611088 1415365004 /nfs/dbraw/zinc/36/50/04/1415365004.db2.gz YLVUWAMQUATCMC-UHFFFAOYSA-N 0 0 339.439 2.997 10 10 EFCERN C[C@@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564555116 1415379689 /nfs/dbraw/zinc/37/96/89/1415379689.db2.gz MHBSASBSRSLVGE-CRAIPNDOSA-N 0 0 331.460 2.853 10 10 EFCERN O=C(NCc1cccc(C(F)(F)F)n1)NCc1c(O)cccc1F ZINC001564786827 1415382618 /nfs/dbraw/zinc/38/26/18/1415382618.db2.gz VVSVOOZBMYDKDF-UHFFFAOYSA-N 0 0 343.280 2.945 10 10 EFCERN O=C(NCc1ccc2c(c1)OC(F)(F)O2)NCc1ccccc1O ZINC001564967477 1415386082 /nfs/dbraw/zinc/38/60/82/1415386082.db2.gz YKFGYZHKIDDEOG-UHFFFAOYSA-N 0 0 336.294 2.713 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@@H]1CSc2ccccc2O1 ZINC001564980878 1415386735 /nfs/dbraw/zinc/38/67/35/1415386735.db2.gz PTUCUDOWFROFAC-CYBMUJFWSA-N 0 0 330.409 2.745 10 10 EFCERN Cc1cc(CCNC(=O)N[C@@H]2CCC[C@H]2O)c(C)n1-c1ccccc1 ZINC001565161852 1415390846 /nfs/dbraw/zinc/39/08/46/1415390846.db2.gz GCQQRCSAQRQHBJ-RTBURBONSA-N 0 0 341.455 2.849 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)OC)C1 ZINC001565226092 1415391658 /nfs/dbraw/zinc/39/16/58/1415391658.db2.gz QWSOYHMODWORQB-VCBZYWHSSA-N 0 0 346.427 2.656 10 10 EFCERN COc1ccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC001565213989 1415391898 /nfs/dbraw/zinc/39/18/98/1415391898.db2.gz GNWRSELIUPRKKT-UHFFFAOYSA-N 0 0 345.355 2.617 10 10 EFCERN CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCCCC2 ZINC001565802985 1415416887 /nfs/dbraw/zinc/41/68/87/1415416887.db2.gz XYZIJVMHKWKHPM-DLBZAZTESA-N 0 0 333.428 2.884 10 10 EFCERN CCc1nc2c(nccc2C(=O)N[C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC001566374915 1415544407 /nfs/dbraw/zinc/54/44/07/1415544407.db2.gz YKWNKKLCSUJXNX-JTQLQIEISA-N 0 0 340.383 2.726 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@H](C)C1 ZINC001566849577 1415798216 /nfs/dbraw/zinc/79/82/16/1415798216.db2.gz MUPDFJYWYDFPTI-RYUDHWBXSA-N 0 0 339.819 2.983 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOc2ncccc2C1 ZINC001567330543 1416075868 /nfs/dbraw/zinc/07/58/68/1416075868.db2.gz DWCLSAJIQDRCTQ-UHFFFAOYSA-N 0 0 342.376 2.742 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccn(-c3cccc(F)c3)n2)c1 ZINC001645800685 1416560729 /nfs/dbraw/zinc/56/07/29/1416560729.db2.gz ONCVCXFSSJJRDX-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN Cc1onc(-c2ccncc2)c1C(=O)NCc1c(O)cccc1F ZINC001646034569 1416603940 /nfs/dbraw/zinc/60/39/40/1416603940.db2.gz NCCVSNINMHUANM-UHFFFAOYSA-N 0 0 327.315 2.820 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001646033763 1416604160 /nfs/dbraw/zinc/60/41/60/1416604160.db2.gz DQATWQIPCGUBDD-CQSZACIVSA-N 0 0 343.276 2.900 10 10 EFCERN O=C(NCc1ccc2nonc2c1)NCc1cccc(Cl)c1O ZINC001685600426 1416769187 /nfs/dbraw/zinc/76/91/87/1416769187.db2.gz VCQRBOULSCLDAR-UHFFFAOYSA-N 0 0 332.747 2.581 10 10 EFCERN COC[C@H](F)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001712165364 1418272721 /nfs/dbraw/zinc/27/27/21/1418272721.db2.gz ZDUHXFUGBFHQAU-CQSZACIVSA-N 0 0 336.411 2.728 10 10 EFCERN Cc1nnc(N2CC=C(C)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001724894542 1425108995 /nfs/dbraw/zinc/10/89/95/1425108995.db2.gz ZZWXKKVLTAGACW-UHFFFAOYSA-N 0 0 329.423 2.996 10 10 EFCERN COc1ccc(N2CCN(Cc3ccccc3NC(C)=O)CC2)cc1 ZINC000179530967 1426305418 /nfs/dbraw/zinc/30/54/18/1426305418.db2.gz FQAPPUCZQJXUPL-UHFFFAOYSA-N 0 0 339.439 2.976 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000804687069 713416923 /nfs/dbraw/zinc/41/69/23/713416923.db2.gz GRPUFDUOBJDMCX-HYXAFXHYSA-N 0 0 346.383 2.788 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000804689196 713419533 /nfs/dbraw/zinc/41/95/33/713419533.db2.gz XRQMVSOGMBBZLK-USEMIUTHSA-N 0 0 326.299 2.872 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000804689193 713419569 /nfs/dbraw/zinc/41/95/69/713419569.db2.gz XRQMVSOGMBBZLK-JOAKQRRISA-N 0 0 326.299 2.872 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCC1=O ZINC000804735457 713455255 /nfs/dbraw/zinc/45/52/55/713455255.db2.gz ZNSNDSABUDEMQP-ZJUUUORDSA-N 0 0 340.217 2.776 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H](O)c1ccccc1 ZINC000804735583 713455331 /nfs/dbraw/zinc/45/53/31/713455331.db2.gz FLWPSCQKDIUQFO-AWEZNQCLSA-N 0 0 336.185 2.505 10 10 EFCERN CC1(C)CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804735772 713455367 /nfs/dbraw/zinc/45/53/67/713455367.db2.gz FEDSSDSCZHLQAX-GFCCVEGCSA-N 0 0 328.206 2.729 10 10 EFCERN COCCC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804735957 713455475 /nfs/dbraw/zinc/45/54/75/713455475.db2.gz MDXJXHWUMSDEBG-UHFFFAOYSA-N 0 0 342.233 2.978 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cc(C2CC2)n[nH]1 ZINC000804734521 713455664 /nfs/dbraw/zinc/45/56/64/713455664.db2.gz PHGJFYCDNIFWSU-UHFFFAOYSA-N 0 0 336.189 2.685 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC1(Cl)Cl ZINC000804734711 713455678 /nfs/dbraw/zinc/45/56/78/713455678.db2.gz WVGSQFFCVDBKBU-QMMMGPOBSA-N 0 0 339.016 2.965 10 10 EFCERN CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738433 713456126 /nfs/dbraw/zinc/45/61/26/713456126.db2.gz PXOZOBBOMPHXCC-CYBMUJFWSA-N 0 0 341.249 2.645 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC12CCOCC2 ZINC000804738457 713456179 /nfs/dbraw/zinc/45/61/79/713456179.db2.gz QMTBEMXHYSYMSC-LBPRGKRZSA-N 0 0 340.217 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])o1 ZINC000804738463 713456181 /nfs/dbraw/zinc/45/61/81/713456181.db2.gz QVOBNPXTULLLAY-UHFFFAOYSA-N 0 0 341.117 2.586 10 10 EFCERN CCC1(C(=O)NCc2cc(Br)ccc2O)CCOCC1 ZINC000804737367 713456203 /nfs/dbraw/zinc/45/62/03/713456203.db2.gz PVPAVUVJHNXCSN-UHFFFAOYSA-N 0 0 342.233 2.978 10 10 EFCERN C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804738732 713456437 /nfs/dbraw/zinc/45/64/37/713456437.db2.gz BYQSTROKGCDYIR-IGJMFERPSA-N 0 0 328.206 2.584 10 10 EFCERN O=C(Cc1ccccc1O)NCc1cc(Br)ccc1O ZINC000804738154 713456530 /nfs/dbraw/zinc/45/65/30/713456530.db2.gz FBPBUFQLLCCWEH-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN CNc1ccc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804738202 713456574 /nfs/dbraw/zinc/45/65/74/713456574.db2.gz GZAMNKWXCXXCDC-UHFFFAOYSA-N 0 0 336.189 2.521 10 10 EFCERN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000891245550 714131825 /nfs/dbraw/zinc/13/18/25/714131825.db2.gz GJDMEHKYOIDIJZ-YTQUADARSA-N 0 0 329.488 2.908 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000175978698 714461295 /nfs/dbraw/zinc/46/12/95/714461295.db2.gz CXPDCWNSZCHUIV-SJLPKXTDSA-N 0 0 333.476 2.883 10 10 EFCERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000160761243 714462441 /nfs/dbraw/zinc/46/24/41/714462441.db2.gz XQCGHARMUPHYBX-INIZCTEOSA-N 0 0 346.471 2.544 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc(C)c(C)c1 ZINC000177417414 718029933 /nfs/dbraw/zinc/02/99/33/718029933.db2.gz WQHOXCDENMJGTG-QGZVFWFLSA-N 0 0 347.480 2.980 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000093772621 716446305 /nfs/dbraw/zinc/44/63/05/716446305.db2.gz BXMVKCJVNWWNEQ-UHFFFAOYSA-N 0 0 340.272 2.954 10 10 EFCERN COC(=O)/C=C/c1ccc(N(CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000176821063 716699188 /nfs/dbraw/zinc/69/91/88/716699188.db2.gz DUJRZICYYGBVEV-WEVVVXLNSA-N 0 0 334.372 2.522 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895679216 724249284 /nfs/dbraw/zinc/24/92/84/724249284.db2.gz YUZLKBPJVWONAR-VIFPVBQESA-N 0 0 337.647 2.833 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000895809064 724320392 /nfs/dbraw/zinc/32/03/92/724320392.db2.gz FOMOYUCOINYUNL-ZDUSSCGKSA-N 0 0 336.388 2.748 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000304436991 724462291 /nfs/dbraw/zinc/46/22/91/724462291.db2.gz VTFJRLILMKBWFM-GFCCVEGCSA-N 0 0 329.400 2.777 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(C(F)(F)F)CC3)cc2N1 ZINC000177832548 718206522 /nfs/dbraw/zinc/20/65/22/718206522.db2.gz NOVYCQWKIQCXAQ-UHFFFAOYSA-N 0 0 345.277 2.704 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1N(C)C ZINC000066699482 718606000 /nfs/dbraw/zinc/60/60/00/718606000.db2.gz JJDZRYJVFPMTGK-UHFFFAOYSA-N 0 0 342.443 2.975 10 10 EFCERN Cc1cccc(O)c1CNc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000888095102 718780182 /nfs/dbraw/zinc/78/01/82/718780182.db2.gz IRPWCSLGAHBDJR-UHFFFAOYSA-N 0 0 344.386 2.924 10 10 EFCERN COCCCOc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928705894 724581941 /nfs/dbraw/zinc/58/19/41/724581941.db2.gz ORZVRYYSWNHCPK-UHFFFAOYSA-N 0 0 333.359 2.877 10 10 EFCERN COC(OC)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000917524169 728750692 /nfs/dbraw/zinc/75/06/92/728750692.db2.gz XVUCLNRLOFFHEV-OAHLLOKOSA-N 0 0 349.475 2.730 10 10 EFCERN C[C@@H](CC[NH2+]Cc1cc(Br)cc(F)c1[O-])[S@](C)=O ZINC000715761770 719722400 /nfs/dbraw/zinc/72/24/00/719722400.db2.gz URMQBXOWGGEEOB-ASCAZGACSA-N 0 0 338.242 2.541 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1[O-] ZINC000092616055 720061841 /nfs/dbraw/zinc/06/18/41/720061841.db2.gz KLGDHGZTRCBLAI-CYBMUJFWSA-N 0 0 325.796 2.624 10 10 EFCERN COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000182823373 720187651 /nfs/dbraw/zinc/18/76/51/720187651.db2.gz LXQKZEMYWCRPPA-HXUWFJFHSA-N 0 0 344.455 2.920 10 10 EFCERN Cc1cc(C(=O)NCC2(CCO)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000187945444 720528435 /nfs/dbraw/zinc/52/84/35/720528435.db2.gz LBEMVBFJNODOIB-UHFFFAOYSA-N 0 0 337.423 2.858 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(C)C ZINC000178722072 720647242 /nfs/dbraw/zinc/64/72/42/720647242.db2.gz LJDTVILZFJFRKX-SFHVURJKSA-N 0 0 341.455 2.903 10 10 EFCERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000123202913 720821905 /nfs/dbraw/zinc/82/19/05/720821905.db2.gz LVLDJLAUPGPDNL-CVEARBPZSA-N 0 0 346.471 2.763 10 10 EFCERN COC(=O)[C@H](COC(C)C)N(C)Cc1c(O)cc(C)cc1Cl ZINC000840919947 721052972 /nfs/dbraw/zinc/05/29/72/721052972.db2.gz BQEDKSBWRRLPAB-AWEZNQCLSA-N 0 0 329.824 2.752 10 10 EFCERN CCn1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC000894283012 721913792 /nfs/dbraw/zinc/91/37/92/721913792.db2.gz GFOWXVIWHFQFJI-UHFFFAOYSA-N 0 0 344.390 2.610 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000319857485 722654211 /nfs/dbraw/zinc/65/42/11/722654211.db2.gz GDMKUJSVXGMECI-ZDUSSCGKSA-N 0 0 337.725 2.747 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](C)CC2)cc1F ZINC000917617309 728766369 /nfs/dbraw/zinc/76/63/69/728766369.db2.gz XYLZCADLTAUZOS-CQSZACIVSA-N 0 0 337.439 2.992 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C)CC2)cc1F ZINC000917617308 728766411 /nfs/dbraw/zinc/76/64/11/728766411.db2.gz XYLZCADLTAUZOS-AWEZNQCLSA-N 0 0 337.439 2.992 10 10 EFCERN Cc1cn(C(C)(C)C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000895980365 723081755 /nfs/dbraw/zinc/08/17/55/723081755.db2.gz KLLVSGNUIAGCMS-UHFFFAOYSA-N 0 0 326.444 2.625 10 10 EFCERN COc1cccc(CNC(=O)C[C@@H]2CCc3sccc3C2=O)c1O ZINC000896118501 723138545 /nfs/dbraw/zinc/13/85/45/723138545.db2.gz XZPVRRADQCUCNC-NSHDSACASA-N 0 0 345.420 2.914 10 10 EFCERN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896138890 723155481 /nfs/dbraw/zinc/15/54/81/723155481.db2.gz VWIDWUYRJKGLIN-MRVPVSSYSA-N 0 0 331.397 2.845 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896162132 723163292 /nfs/dbraw/zinc/16/32/92/723163292.db2.gz AZFYZMBOGODXTD-TZMCWYRMSA-N 0 0 348.443 2.615 10 10 EFCERN CCOc1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895070121 723175004 /nfs/dbraw/zinc/17/50/04/723175004.db2.gz BRZKDFGOFIHPHL-UHFFFAOYSA-N 0 0 343.427 2.578 10 10 EFCERN Oc1ccc(Cl)cc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895071503 723179556 /nfs/dbraw/zinc/17/95/56/723179556.db2.gz PQAHJTZYTCJPGO-UHFFFAOYSA-N 0 0 333.819 2.833 10 10 EFCERN Cc1noc(C)c1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896242960 723211433 /nfs/dbraw/zinc/21/14/33/723211433.db2.gz ASGJKPDVOOFSLS-UHFFFAOYSA-N 0 0 332.381 2.890 10 10 EFCERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC(C)(C)C ZINC000896261803 723225151 /nfs/dbraw/zinc/22/51/51/723225151.db2.gz KFYRBIZAYYOPIK-MRVPVSSYSA-N 0 0 337.397 2.773 10 10 EFCERN CC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)OC ZINC000895139793 723436577 /nfs/dbraw/zinc/43/65/77/723436577.db2.gz OYNGSOFUSOXKSI-MRVPVSSYSA-N 0 0 334.185 2.583 10 10 EFCERN CCCN(CCC)c1ccc(CN[C@@H](C)C2N=NC(=O)N2C)cc1 ZINC000895183301 723842339 /nfs/dbraw/zinc/84/23/39/723842339.db2.gz HXNAJAKZMCZTHG-AWEZNQCLSA-N 0 0 331.464 2.998 10 10 EFCERN O=C(C[C@H]1CCc2sccc2C1=O)NCCc1ccc(O)c(O)c1 ZINC000897069328 723979027 /nfs/dbraw/zinc/97/90/27/723979027.db2.gz WDVNUWPOGUFCRN-GFCCVEGCSA-N 0 0 345.420 2.653 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895336201 724044187 /nfs/dbraw/zinc/04/41/87/724044187.db2.gz QJAJZOVUOBRUOU-STQMWFEESA-N 0 0 346.402 2.572 10 10 EFCERN COc1ccc(N2CCN(Cc3nc(C(C)C)c[nH]3)CC2)c(OC)c1 ZINC000895454305 724145170 /nfs/dbraw/zinc/14/51/70/724145170.db2.gz JNCGJQNGDUIWOZ-UHFFFAOYSA-N 0 0 344.459 2.873 10 10 EFCERN CCN1C[C@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000897267428 724155479 /nfs/dbraw/zinc/15/54/79/724155479.db2.gz BGYZRSKSGUTVHD-MNOVXSKESA-N 0 0 334.441 2.867 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)cc1 ZINC000895485553 724162013 /nfs/dbraw/zinc/16/20/13/724162013.db2.gz XRYBPVUBKBDYCT-QGZVFWFLSA-N 0 0 345.487 2.748 10 10 EFCERN CC1(C)C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C(C)(C)O1 ZINC000925452533 728879394 /nfs/dbraw/zinc/87/93/94/728879394.db2.gz WPNKVQXYSXFHOF-AWEZNQCLSA-N 0 0 346.427 2.750 10 10 EFCERN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895542276 724189266 /nfs/dbraw/zinc/18/92/66/724189266.db2.gz WBKIQPLLIVPMES-SNVBAGLBSA-N 0 0 349.408 2.728 10 10 EFCERN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000895633951 724228372 /nfs/dbraw/zinc/22/83/72/724228372.db2.gz HUNZXLUEOMPSGI-GOSISDBHSA-N 0 0 333.815 2.978 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(n2cccn2)CC1 ZINC000895757066 724300395 /nfs/dbraw/zinc/30/03/95/724300395.db2.gz PAHGFRJLYUYBOB-UHFFFAOYSA-N 0 0 343.408 2.986 10 10 EFCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])O2 ZINC000895818137 724330613 /nfs/dbraw/zinc/33/06/13/724330613.db2.gz BRMMTLOSIKJUBM-WYFUGZQLSA-N 0 0 327.371 2.733 10 10 EFCERN CCN(CC)c1ccc(CN[C@H](C[C@H]2CCCO2)C(=O)OC)cc1 ZINC000895861671 724344845 /nfs/dbraw/zinc/34/48/45/724344845.db2.gz GMNSEINGUPUKSC-QZTJIDSGSA-N 0 0 334.460 2.733 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000918745185 728920277 /nfs/dbraw/zinc/92/02/77/728920277.db2.gz FMIBVEPFBXDFIH-HNNXBMFYSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000918745502 728920372 /nfs/dbraw/zinc/92/03/72/728920372.db2.gz MWWQKPVSSBKCBV-YOEHRIQHSA-N 0 0 346.358 2.672 10 10 EFCERN Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1cccc(C)c1 ZINC000729106222 725436415 /nfs/dbraw/zinc/43/64/15/725436415.db2.gz MBPMQCPLQFVQAC-QGZVFWFLSA-N 0 0 329.396 2.975 10 10 EFCERN Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1cccc(C)c1 ZINC000729106220 725436453 /nfs/dbraw/zinc/43/64/53/725436453.db2.gz MBPMQCPLQFVQAC-KRWDZBQOSA-N 0 0 329.396 2.975 10 10 EFCERN Cc1cc(Cl)cc(CN2CCC[C@H](S(C)(=O)=O)CC2)c1O ZINC000800535067 725471938 /nfs/dbraw/zinc/47/19/38/725471938.db2.gz ZEDROSXCBAEQCT-AWEZNQCLSA-N 0 0 331.865 2.753 10 10 EFCERN C[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCS1(=O)=O ZINC000151583994 725783444 /nfs/dbraw/zinc/78/34/44/725783444.db2.gz SXUSRTDJMAGMRD-GFCCVEGCSA-N 0 0 349.452 2.636 10 10 EFCERN CCS(=O)(=O)NCCCN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000151681226 725808210 /nfs/dbraw/zinc/80/82/10/725808210.db2.gz QOECYFNLTBSYOO-CQSZACIVSA-N 0 0 340.489 2.630 10 10 EFCERN CCn1c(Br)ncc1C(=O)N[C@@H](C)c1ccccc1O ZINC000913763350 725853244 /nfs/dbraw/zinc/85/32/44/725853244.db2.gz CRZCZLFBCYJGFI-VIFPVBQESA-N 0 0 338.205 2.862 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000913764044 725853591 /nfs/dbraw/zinc/85/35/91/725853591.db2.gz ZGUSSYNBAIKXML-YRGRVCCFSA-N 0 0 334.416 2.730 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)OC)cc1 ZINC000138282280 725853640 /nfs/dbraw/zinc/85/36/40/725853640.db2.gz WLVQTYAAGGNKLM-QGZVFWFLSA-N 0 0 349.475 2.920 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CC1(F)CC1 ZINC000913868265 725910351 /nfs/dbraw/zinc/91/03/51/725910351.db2.gz CMGSNDKPIQNZSP-UHFFFAOYSA-N 0 0 340.464 2.941 10 10 EFCERN CC1CCN(c2ccc(CNS(=O)(=O)CC3(F)CC3)cc2)CC1 ZINC000914079882 726029627 /nfs/dbraw/zinc/02/96/27/726029627.db2.gz INDRNEFASJLKBA-UHFFFAOYSA-N 0 0 340.464 2.844 10 10 EFCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCCC(C)(F)F)c1 ZINC000914154089 726085286 /nfs/dbraw/zinc/08/52/86/726085286.db2.gz TYOCDXJLAKUXIW-JTQLQIEISA-N 0 0 337.388 2.817 10 10 EFCERN CO[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCSC1 ZINC000914180467 726155204 /nfs/dbraw/zinc/15/52/04/726155204.db2.gz NLDRQWWLERXUAX-SFHVURJKSA-N 0 0 349.500 2.608 10 10 EFCERN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897447107 726213867 /nfs/dbraw/zinc/21/38/67/726213867.db2.gz BSGYOFVSXKSPJP-GFCCVEGCSA-N 0 0 349.330 2.698 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000914335097 726241207 /nfs/dbraw/zinc/24/12/07/726241207.db2.gz KIOHSDTXZNAGLE-GDBMZVCRSA-N 0 0 349.500 2.607 10 10 EFCERN COC(C)(C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000914400701 726278604 /nfs/dbraw/zinc/27/86/04/726278604.db2.gz RLMMQJCGDDIOIC-CABCVRRESA-N 0 0 349.475 2.697 10 10 EFCERN COc1cccc(CNC(=O)NCCCSc2nccs2)n1 ZINC000152955014 726297503 /nfs/dbraw/zinc/29/75/03/726297503.db2.gz IVSIXNOACPLWQN-UHFFFAOYSA-N 0 0 338.458 2.528 10 10 EFCERN COc1ccc(N2CCC3(CC2)Nc2cc(F)ccc2C(=O)N3)cc1 ZINC000731302051 726837005 /nfs/dbraw/zinc/83/70/05/726837005.db2.gz RXZZLTDJCWDEDK-UHFFFAOYSA-N 0 0 341.386 2.986 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000906991309 726841170 /nfs/dbraw/zinc/84/11/70/726841170.db2.gz MKVKVDCAFJEPTQ-UHFFFAOYSA-N 0 0 339.391 2.854 10 10 EFCERN CCn1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1C1CC1 ZINC000907061106 726856771 /nfs/dbraw/zinc/85/67/71/726856771.db2.gz REXISTUUHCULAC-NSHDSACASA-N 0 0 329.400 2.986 10 10 EFCERN Cc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C(F)(F)F ZINC000907273086 726900146 /nfs/dbraw/zinc/90/01/46/726900146.db2.gz KSMKFZIUYBYJAL-SSDOTTSWSA-N 0 0 343.305 2.509 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000907274373 726900254 /nfs/dbraw/zinc/90/02/54/726900254.db2.gz PSYPSCBGGKDYNE-RBZFPXEDSA-N 0 0 341.407 2.633 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000907275643 726900674 /nfs/dbraw/zinc/90/06/74/726900674.db2.gz XCWSQVNRBIACLU-HIFRSBDPSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000907276072 726900748 /nfs/dbraw/zinc/90/07/48/726900748.db2.gz YZBZPYVFPAFTOC-ZFWWWQNUSA-N 0 0 333.428 2.884 10 10 EFCERN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907349951 726919979 /nfs/dbraw/zinc/91/99/79/726919979.db2.gz ZACHHTPMUAHOPV-BDAKNGLRSA-N 0 0 337.397 2.630 10 10 EFCERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)C1=CC(=O)CS1 ZINC000731870531 726946089 /nfs/dbraw/zinc/94/60/89/726946089.db2.gz OXPROGLVHWVMTE-UHFFFAOYSA-N 0 0 340.404 2.594 10 10 EFCERN CCOC(=O)[C@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731871676 726946122 /nfs/dbraw/zinc/94/61/22/726946122.db2.gz QESOOOPPXFCTLM-ZDUSSCGKSA-N 0 0 333.409 2.606 10 10 EFCERN Cc1cc(C)c(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000907493769 726953843 /nfs/dbraw/zinc/95/38/43/726953843.db2.gz RYWVLYUGAPLWCG-CQSZACIVSA-N 0 0 327.428 2.890 10 10 EFCERN O=C(COC(=O)C1=CC(=O)CS1)N[C@@H]1CCCc2ccccc21 ZINC000731912243 726953982 /nfs/dbraw/zinc/95/39/82/726953982.db2.gz RPHITPVYZXZJQA-CQSZACIVSA-N 0 0 331.393 2.804 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccnn2C)cc1F ZINC000915366425 726963687 /nfs/dbraw/zinc/96/36/87/726963687.db2.gz OOUQAUWMCWEOMU-KRWDZBQOSA-N 0 0 345.422 2.672 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2CC2CC2)cc1F ZINC000915367057 726964533 /nfs/dbraw/zinc/96/45/33/726964533.db2.gz VDNHIGUQYXFNHJ-HNNXBMFYSA-N 0 0 335.423 2.602 10 10 EFCERN CCc1onc(C)c1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000915367007 726964706 /nfs/dbraw/zinc/96/47/06/726964706.db2.gz UPEOKQCLQUTPIV-UHFFFAOYSA-N 0 0 334.395 2.750 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(C)ccc32)c1 ZINC000731960194 726967047 /nfs/dbraw/zinc/96/70/47/726967047.db2.gz WGQZGDUYYNLRQO-SOFGYWHQSA-N 0 0 335.407 2.742 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)[C@H]1CCCO1 ZINC000907758693 727009468 /nfs/dbraw/zinc/00/94/68/727009468.db2.gz SGPIRXKHHGEBFG-JOYOIKCWSA-N 0 0 328.206 2.586 10 10 EFCERN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000732288923 727016876 /nfs/dbraw/zinc/01/68/76/727016876.db2.gz XSRARSHGHFAONI-CQSZACIVSA-N 0 0 346.408 2.706 10 10 EFCERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732352801 727025086 /nfs/dbraw/zinc/02/50/86/727025086.db2.gz HMTQVXOIGSRXTG-SECBINFHSA-N 0 0 348.380 2.596 10 10 EFCERN COc1ccc(CNC(=O)c2cn(C)nc2C2CCCC2)c(O)c1 ZINC000907924861 727055236 /nfs/dbraw/zinc/05/52/36/727055236.db2.gz ABVYKBOEIKIKLQ-UHFFFAOYSA-N 0 0 329.400 2.722 10 10 EFCERN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)NCc1ccccc1O ZINC000915525010 727087059 /nfs/dbraw/zinc/08/70/59/727087059.db2.gz KVSNYHCMGUFHQA-DGCLKSJQSA-N 0 0 332.322 2.691 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1NC(=O)CC12CCCCC2 ZINC000908184912 727125019 /nfs/dbraw/zinc/12/50/19/727125019.db2.gz ZVNRZWZIEFNTMZ-UHFFFAOYSA-N 0 0 346.408 2.893 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1c1ncon1 ZINC000908332198 727160249 /nfs/dbraw/zinc/16/02/49/727160249.db2.gz ZBBSXVWEFUFNPK-VIFPVBQESA-N 0 0 331.353 2.673 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc[nH]n2)cc1F ZINC000732677711 727181830 /nfs/dbraw/zinc/18/18/30/727181830.db2.gz VOJSAVBSUUYRKX-UHFFFAOYSA-N 0 0 333.411 2.737 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952234 727472823 /nfs/dbraw/zinc/47/28/23/727472823.db2.gz UCFCREDLNUDVCS-ZBEGNZNMSA-N 0 0 340.379 2.622 10 10 EFCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1ccc(O)cc1O ZINC000910943306 727474909 /nfs/dbraw/zinc/47/49/09/727474909.db2.gz MQLAWBXWSYHESH-LBPRGKRZSA-N 0 0 335.791 2.653 10 10 EFCERN C[C@@H]1CCc2nc(C(=O)NCc3ccc4cccnc4c3O)cn2C1 ZINC000911261716 727520664 /nfs/dbraw/zinc/52/06/64/727520664.db2.gz LAXHVMSOWNFJIP-GFCCVEGCSA-N 0 0 336.395 2.649 10 10 EFCERN Cc1ncccc1/C=C/C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911682505 727581816 /nfs/dbraw/zinc/58/18/16/727581816.db2.gz ALOWQTPTCZRKRC-HSBSLETESA-N 0 0 326.371 2.740 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911684780 727582030 /nfs/dbraw/zinc/58/20/30/727582030.db2.gz TUISMAZNPMIIND-ODDCISTRSA-N 0 0 326.371 2.822 10 10 EFCERN Cc1ccncc1/C=C/C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911692174 727584007 /nfs/dbraw/zinc/58/40/07/727584007.db2.gz NDTQHPQBSHEDFB-GJBLVYBDSA-N 0 0 326.371 2.740 10 10 EFCERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2n(n1)CCCC2 ZINC000912034542 727638894 /nfs/dbraw/zinc/63/88/94/727638894.db2.gz SMOHSCPKBKIBQG-WAFBPQNNSA-N 0 0 327.384 2.521 10 10 EFCERN Cc1sc(C)c(S(=O)(=O)NCc2ccc(O)cc2O)c1C ZINC000916424132 727683482 /nfs/dbraw/zinc/68/34/82/727683482.db2.gz BQUYBZKWVRQFRP-UHFFFAOYSA-N 0 0 327.427 2.563 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4[nH]ccc4n3)C2)cc1 ZINC000912292267 727688896 /nfs/dbraw/zinc/68/88/96/727688896.db2.gz KLGAJIBNPPJBOQ-ZDUSSCGKSA-N 0 0 336.395 2.580 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@@H]2CO)c(C)n1-c1cccc(Cl)c1 ZINC000912422982 727710632 /nfs/dbraw/zinc/71/06/32/727710632.db2.gz OTESOXKYWJCKDL-INIZCTEOSA-N 0 0 348.830 2.581 10 10 EFCERN CN=[S@](C)(=O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000912799442 727745793 /nfs/dbraw/zinc/74/57/93/727745793.db2.gz GKORTEKHUOCUDI-XMMPIXPASA-N 0 0 347.484 2.860 10 10 EFCERN CCOC(=O)N1CCC(NC(=O)/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000029200294 727754588 /nfs/dbraw/zinc/75/45/88/727754588.db2.gz IHWPUZILNJWLQQ-JXMROGBWSA-N 0 0 345.443 2.503 10 10 EFCERN CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000733878111 727758801 /nfs/dbraw/zinc/75/88/01/727758801.db2.gz FJSIHACHQCEWLI-HSZRJFAPSA-N 0 0 336.432 2.732 10 10 EFCERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156323058 727907445 /nfs/dbraw/zinc/90/74/45/727907445.db2.gz AAQRNRWAUXOPQZ-QGZVFWFLSA-N 0 0 344.455 2.534 10 10 EFCERN CO[C@@H](C)c1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000156690181 727944224 /nfs/dbraw/zinc/94/42/24/727944224.db2.gz ALHPSLNIPYEDKI-JTQLQIEISA-N 0 0 336.413 2.543 10 10 EFCERN CC[N@H+](CCC(=O)NC(C)C)Cc1cc(Br)ccc1O ZINC000076118552 727994870 /nfs/dbraw/zinc/99/48/70/727994870.db2.gz XAXRPXVFVPNUSJ-UHFFFAOYSA-N 0 0 343.265 2.891 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000183229443 727998521 /nfs/dbraw/zinc/99/85/21/727998521.db2.gz ZLKJYHAKNUJZCF-UHFFFAOYSA-N 0 0 325.368 2.751 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cnc2ccccc2n1 ZINC000183482606 728117665 /nfs/dbraw/zinc/11/76/65/728117665.db2.gz PNHOVYAEQOPYRU-BUUCAEBMSA-N 0 0 349.390 2.802 10 10 EFCERN CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158122871 728302723 /nfs/dbraw/zinc/30/27/23/728302723.db2.gz GJULLBJBPBNQBI-UHFFFAOYSA-N 0 0 325.817 2.739 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccncc3)CC2)cc1 ZINC000158230776 728321989 /nfs/dbraw/zinc/32/19/89/728321989.db2.gz GKATWKRBOMFVQY-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nccn2CC(C)C)c1 ZINC000173460027 728625816 /nfs/dbraw/zinc/62/58/16/728625816.db2.gz PEYKBEHGJVTGLB-CYBMUJFWSA-N 0 0 346.431 2.814 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000919081980 728969341 /nfs/dbraw/zinc/96/93/41/728969341.db2.gz PYQVVGHXRCQWQU-KRWDZBQOSA-N 0 0 331.460 2.962 10 10 EFCERN C[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCCO1 ZINC000919918330 729110208 /nfs/dbraw/zinc/11/02/08/729110208.db2.gz LZJIMIINBNALSV-LJQANCHMSA-N 0 0 329.444 2.821 10 10 EFCERN CCCn1nccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069678405 729125054 /nfs/dbraw/zinc/12/50/54/729125054.db2.gz YOOZBQGOSBPBOG-UHFFFAOYSA-N 0 0 327.432 2.997 10 10 EFCERN COCc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000920881705 729239677 /nfs/dbraw/zinc/23/96/77/729239677.db2.gz POVSXSUWLJEJHT-AWEZNQCLSA-N 0 0 344.411 2.754 10 10 EFCERN COC[C@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC000921191073 729272419 /nfs/dbraw/zinc/27/24/19/729272419.db2.gz GWWSONXJNNVFBJ-AWEZNQCLSA-N 0 0 332.375 2.588 10 10 EFCERN CO[C@@H](C)c1nc(CNC(=O)NCc2c(O)cccc2F)cs1 ZINC000921373706 729300852 /nfs/dbraw/zinc/30/08/52/729300852.db2.gz QTQAEYNJAQYJMO-VIFPVBQESA-N 0 0 339.392 2.695 10 10 EFCERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCCC4)cc3)nn21 ZINC000180001634 729668926 /nfs/dbraw/zinc/66/89/26/729668926.db2.gz YKUIRLLCITUCKD-UHFFFAOYSA-N 0 0 338.371 2.850 10 10 EFCERN Cc1ccccc1CC(=O)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180020952 729672607 /nfs/dbraw/zinc/67/26/07/729672607.db2.gz RUBLSWXAPODCNH-UHFFFAOYSA-N 0 0 342.414 2.727 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nccc(N)n2)cc1 ZINC001569594723 1085418429 /nfs/dbraw/zinc/41/84/29/1085418429.db2.gz QXPUXIBVJYXDII-CQSZACIVSA-N 0 0 335.411 2.957 10 10 EFCERN CCOc1cc(/C=C/C(=O)NCc2ccc(O)cc2O)ccc1O ZINC001570462437 1086257068 /nfs/dbraw/zinc/25/70/68/1086257068.db2.gz SYFBKQOHHVNNKX-XBXARRHUSA-N 0 0 329.352 2.532 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(Nc2cnccn2)c1 ZINC001570462128 1086257752 /nfs/dbraw/zinc/25/77/52/1086257752.db2.gz FFVOLFWNCQIXJE-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN CN(C[C@](C)(O)c1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570517167 1086303097 /nfs/dbraw/zinc/30/30/97/1086303097.db2.gz KPRMNFDSOPKPJM-SFHVURJKSA-N 0 0 340.383 2.829 10 10 EFCERN CC(C)(C)OC(=O)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570671944 1086451735 /nfs/dbraw/zinc/45/17/35/1086451735.db2.gz KWKKGHRKDRYUBS-UHFFFAOYSA-N 0 0 334.376 2.701 10 10 EFCERN CCC(=O)N[C@H](C)CCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572722097 1087618962 /nfs/dbraw/zinc/61/89/62/1087618962.db2.gz DGBLTSJFQKTIBM-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN CC1=C(C(=O)NCc2c(O)ccc3ccccc32)C(=O)OC1(C)C ZINC001647791027 1089880236 /nfs/dbraw/zinc/88/02/36/1089880236.db2.gz HACXXPZRQSHGIO-UHFFFAOYSA-N 0 0 325.364 2.814 10 10 EFCERN CN1C[C@@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc2C1=O ZINC001647830296 1089890944 /nfs/dbraw/zinc/89/09/44/1089890944.db2.gz QQRCOOPJZHPLMP-CQSZACIVSA-N 0 0 344.798 2.531 10 10 EFCERN COC(=O)c1cccc(CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001647830277 1089892447 /nfs/dbraw/zinc/89/24/47/1089892447.db2.gz QFDFIDDHZLUKQZ-UHFFFAOYSA-N 0 0 333.771 2.691 10 10 EFCERN Cc1c[nH]c(CNC(=O)c2cc3cc(O)c(O)cc3s2)c(C)c1=O ZINC001647913894 1089908601 /nfs/dbraw/zinc/90/86/01/1089908601.db2.gz NQCHWAFVOHGESC-UHFFFAOYSA-N 0 0 344.392 2.548 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cnccc1Nc1ccccc1 ZINC001583286803 1091952937 /nfs/dbraw/zinc/95/29/37/1091952937.db2.gz BMYWFGODLQRSNR-UHFFFAOYSA-N 0 0 335.363 2.840 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cnn(C)c1 ZINC001583349653 1091973151 /nfs/dbraw/zinc/97/31/51/1091973151.db2.gz QBTHRDRWJDDUDY-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCc1cc(Cl)ccc1O ZINC001583820724 1092071802 /nfs/dbraw/zinc/07/18/02/1092071802.db2.gz JXQNJWUEKSXANL-ZDUSSCGKSA-N 0 0 348.761 2.927 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)cc(F)c3N)C2)cc1 ZINC001584229002 1092128926 /nfs/dbraw/zinc/12/89/26/1092128926.db2.gz BQDJRYZGDMRLIJ-GFCCVEGCSA-N 0 0 347.365 2.564 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)cc1 ZINC001584317862 1092143797 /nfs/dbraw/zinc/14/37/97/1092143797.db2.gz QPXFECIAXJGEOQ-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCC2 ZINC001584615936 1092219376 /nfs/dbraw/zinc/21/93/76/1092219376.db2.gz PUDKLUSCHXLFCM-HOTGVXAUSA-N 0 0 333.428 2.883 10 10 EFCERN CC(C)(C)OC(=O)C(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001648683050 1092251572 /nfs/dbraw/zinc/25/15/72/1092251572.db2.gz VEDZZQMUEOBWMV-UHFFFAOYSA-N 0 0 334.376 2.699 10 10 EFCERN CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21 ZINC001584726674 1092263080 /nfs/dbraw/zinc/26/30/80/1092263080.db2.gz ZIWNPVQMOXTPSB-UHFFFAOYSA-N 0 0 337.383 2.941 10 10 EFCERN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001584983093 1092346548 /nfs/dbraw/zinc/34/65/48/1092346548.db2.gz CJIBWTKQFWHKNZ-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001649413870 1092447485 /nfs/dbraw/zinc/44/74/85/1092447485.db2.gz HKYYDCURUPQDSR-INIZCTEOSA-N 0 0 347.459 2.580 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001649413871 1092448258 /nfs/dbraw/zinc/44/82/58/1092448258.db2.gz HKYYDCURUPQDSR-MRXNPFEDSA-N 0 0 347.459 2.580 10 10 EFCERN CCC[C@H](Cn1c(CC)nnc1N(C)Cc1ccccc1O)OC ZINC001649639994 1092581058 /nfs/dbraw/zinc/58/10/58/1092581058.db2.gz HJERPNGOTOWOEL-OAHLLOKOSA-N 0 0 332.448 2.998 10 10 EFCERN O=C(C=Cc1cnc2ccccc2n1)N1CCCc2cc[nH]c(=O)c21 ZINC001586267481 1092717164 /nfs/dbraw/zinc/71/71/64/1092717164.db2.gz QKFDMWWIIDYGFM-BQYQJAHWSA-N 0 0 332.363 2.723 10 10 EFCERN O=C(C=Cc1cnc2ccccc2n1)N1CCCc2cc[nH]c(=O)c21 ZINC001586267482 1092717497 /nfs/dbraw/zinc/71/74/97/1092717497.db2.gz QKFDMWWIIDYGFM-FPLPWBNLSA-N 0 0 332.363 2.723 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1ncc[nH]1 ZINC001586295700 1092719449 /nfs/dbraw/zinc/71/94/49/1092719449.db2.gz UQXKDUDFRNOUIB-UHFFFAOYSA-N 0 0 336.395 2.602 10 10 EFCERN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001586376186 1092728383 /nfs/dbraw/zinc/72/83/83/1092728383.db2.gz WAZJNXKFDWPTRK-AUUYWEPGSA-N 0 0 341.407 2.937 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001587078627 1092780667 /nfs/dbraw/zinc/78/06/67/1092780667.db2.gz CVDQLFWGPZYOFM-KRWDZBQOSA-N 0 0 335.363 2.609 10 10 EFCERN O=C(c1cccc(CNc2ccncn2)c1)N1Cc2cccc(O)c2C1 ZINC001587928142 1092870444 /nfs/dbraw/zinc/87/04/44/1092870444.db2.gz KPFVIILCCUZSOB-UHFFFAOYSA-N 0 0 346.390 2.950 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnc(F)c(Br)c1 ZINC001588155151 1092898824 /nfs/dbraw/zinc/89/88/24/1092898824.db2.gz BIDOHJYKFVKGPD-UHFFFAOYSA-N 0 0 339.164 2.961 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)c1ccc(F)cc1 ZINC001588313558 1092915718 /nfs/dbraw/zinc/91/57/18/1092915718.db2.gz RHUXPYLLGIFLRN-ZUZCIYMTSA-N 0 0 344.346 2.840 10 10 EFCERN CC1(C)C[NH2+]CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708088558 1092972168 /nfs/dbraw/zinc/97/21/68/1092972168.db2.gz HIAFWQRJVSYROK-UHFFFAOYSA-N 0 0 333.657 2.992 10 10 EFCERN CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708087916 1092972783 /nfs/dbraw/zinc/97/27/83/1092972783.db2.gz FCTYSWAHYMGGFS-LLVKDONJSA-N 0 0 333.657 2.992 10 10 EFCERN C[C@@H]1C[NH2+]CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708125263 1093125830 /nfs/dbraw/zinc/12/58/30/1093125830.db2.gz NVZLXYARDRZXBD-SECBINFHSA-N 0 0 333.657 2.849 10 10 EFCERN CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])CC[NH2+]1 ZINC000708133172 1093128216 /nfs/dbraw/zinc/12/82/16/1093128216.db2.gz IDFOOWJXCXUWOC-UHFFFAOYSA-N 0 0 333.657 2.992 10 10 EFCERN Cc1cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc(C)c1O ZINC000588562018 1093193512 /nfs/dbraw/zinc/19/35/12/1093193512.db2.gz VUUKFHHLKPDUAB-XQRVVYSFSA-N 0 0 327.380 2.792 10 10 EFCERN Cn1cnnc1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001650576472 1093438051 /nfs/dbraw/zinc/43/80/51/1093438051.db2.gz AFTOETWIMLOQNI-UHFFFAOYSA-N 0 0 337.339 2.566 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC001650720328 1093487043 /nfs/dbraw/zinc/48/70/43/1093487043.db2.gz JMIKWZUQVUHAQR-UHFFFAOYSA-N 0 0 340.265 2.521 10 10 EFCERN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001650913062 1093507278 /nfs/dbraw/zinc/50/72/78/1093507278.db2.gz YLONSYSKWIEEDK-ABKXIKBNSA-N 0 0 337.322 2.882 10 10 EFCERN Cc1nc2nc(C)cc(NCc3cccc(Br)c3O)n2n1 ZINC001651034577 1093519612 /nfs/dbraw/zinc/51/96/12/1093519612.db2.gz KLTHQEVPBZEKJF-UHFFFAOYSA-N 0 0 348.204 2.821 10 10 EFCERN CO[C@@](C)(CO)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001651195891 1093537766 /nfs/dbraw/zinc/53/77/66/1093537766.db2.gz RBRMOHAWLPWUDT-GOSISDBHSA-N 0 0 344.367 2.635 10 10 EFCERN CCOc1ccc(SCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001651222657 1093540313 /nfs/dbraw/zinc/54/03/13/1093540313.db2.gz LVLFPYUYOIIOQE-UHFFFAOYSA-N 0 0 333.409 2.905 10 10 EFCERN O=C(COc1ccccc1C(F)(F)F)NCc1cc(O)ccc1O ZINC001651222979 1093541426 /nfs/dbraw/zinc/54/14/26/1093541426.db2.gz VFBBDUWVMDCPJX-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN Cc1cc(OC(F)F)c(C(=O)NCc2cc(O)ccc2O)s1 ZINC001651222097 1093541465 /nfs/dbraw/zinc/54/14/65/1093541465.db2.gz ABKIXVYKOLSSCP-UHFFFAOYSA-N 0 0 329.324 2.999 10 10 EFCERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1C1CCCC1 ZINC001651225588 1093542715 /nfs/dbraw/zinc/54/27/15/1093542715.db2.gz PSAUDTGLRCRDNU-UHFFFAOYSA-N 0 0 329.400 2.902 10 10 EFCERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1cc(O)ccc1O ZINC001593873680 1094413558 /nfs/dbraw/zinc/41/35/58/1094413558.db2.gz WDLLBHCTTLOKHN-GOSISDBHSA-N 0 0 327.380 2.808 10 10 EFCERN CC(=O)c1cccc(OCCCC(=O)NCc2cc(O)ccc2O)c1 ZINC001593873623 1094414428 /nfs/dbraw/zinc/41/44/28/1094414428.db2.gz UIXISAZHNAAUCV-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN Cc1nccnc1[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001594716798 1094434829 /nfs/dbraw/zinc/43/48/29/1094434829.db2.gz AOOVSOQCIOQYGN-VIFPVBQESA-N 0 0 329.381 2.902 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1nc2ccccc2nc1C1CC1 ZINC001595596583 1094480236 /nfs/dbraw/zinc/48/02/36/1094480236.db2.gz ZEZOAIVXRYOKQZ-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595751091 1094491735 /nfs/dbraw/zinc/49/17/35/1094491735.db2.gz FOYOPIDZFYVBDZ-UHFFFAOYSA-N 0 0 348.380 2.700 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2c[nH]nc2C(F)(F)F)cc1 ZINC001595848856 1094498153 /nfs/dbraw/zinc/49/81/53/1094498153.db2.gz WZHBCKUEQLTMBI-UHFFFAOYSA-N 0 0 326.238 2.843 10 10 EFCERN COCc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001596103447 1094513505 /nfs/dbraw/zinc/51/35/05/1094513505.db2.gz HOKIZAJMUPDLNZ-UHFFFAOYSA-N 0 0 326.356 2.925 10 10 EFCERN Cc1nccn1CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001596670538 1094541568 /nfs/dbraw/zinc/54/15/68/1094541568.db2.gz WAABTUDBABYMGB-UHFFFAOYSA-N 0 0 328.376 2.516 10 10 EFCERN O=C(Cc1cc2ccccc2[nH]c1=O)NCc1c(O)cccc1F ZINC001596912532 1094552555 /nfs/dbraw/zinc/55/25/55/1094552555.db2.gz OHLXMHNNOFNKGC-UHFFFAOYSA-N 0 0 326.327 2.644 10 10 EFCERN Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1F ZINC001597568554 1094600337 /nfs/dbraw/zinc/60/03/37/1094600337.db2.gz GQLUOIQCCVFINK-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CC(C)NC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001597569296 1094600667 /nfs/dbraw/zinc/60/06/67/1094600667.db2.gz NOIXLZSJMNUMOY-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN C[Si](C)(C)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 ZINC001597574482 1094602550 /nfs/dbraw/zinc/60/25/50/1094602550.db2.gz MVIZSCITUHKFNJ-UHFFFAOYSA-N 0 0 329.472 2.502 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001597573800 1094602570 /nfs/dbraw/zinc/60/25/70/1094602570.db2.gz HCJJKDWUQONWBX-JCURWCKSSA-N 0 0 329.783 2.953 10 10 EFCERN Cc1nn(C)c(C)c1OCC(=O)NCc1c(O)ccc2ccccc21 ZINC001597736287 1094619469 /nfs/dbraw/zinc/61/94/69/1094619469.db2.gz BHJAQSUUEUHPJX-UHFFFAOYSA-N 0 0 339.395 2.591 10 10 EFCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001268533271 1097140172 /nfs/dbraw/zinc/14/01/72/1097140172.db2.gz KNNXDBCMKSMPOC-FJMRRMLCSA-N 0 0 339.439 2.807 10 10 EFCERN CCc1ncc(Cl)c(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC001126442704 1098629096 /nfs/dbraw/zinc/62/90/96/1098629096.db2.gz OFWCPCXXANMZCB-UHFFFAOYSA-N 0 0 346.818 2.798 10 10 EFCERN COC(=O)[C@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001610997897 1098970350 /nfs/dbraw/zinc/97/03/50/1098970350.db2.gz KWZKGPYIXJOQCH-GOSISDBHSA-N 0 0 340.423 2.801 10 10 EFCERN CCc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCO2 ZINC001611215094 1098992000 /nfs/dbraw/zinc/99/20/00/1098992000.db2.gz HSQIZBACOZJVMB-OAHLLOKOSA-N 0 0 327.380 2.843 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001612691491 1099074827 /nfs/dbraw/zinc/07/48/27/1099074827.db2.gz MDPPUFNEIBBRHZ-VSKVDJIOSA-N 0 0 348.399 2.768 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001612691490 1099075437 /nfs/dbraw/zinc/07/54/37/1099075437.db2.gz MDPPUFNEIBBRHZ-HZRUHFOJSA-N 0 0 348.399 2.768 10 10 EFCERN CC[C@@H](C)[C@@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001613103190 1099091005 /nfs/dbraw/zinc/09/10/05/1099091005.db2.gz VPVPKNJZUFWRNQ-ACJLOTCBSA-N 0 0 332.448 2.726 10 10 EFCERN Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])n1 ZINC001616181534 1099169379 /nfs/dbraw/zinc/16/93/79/1099169379.db2.gz ZJSKXHMYGAEPKJ-UHFFFAOYSA-N 0 0 342.355 2.829 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001616892199 1099200312 /nfs/dbraw/zinc/20/03/12/1099200312.db2.gz OXPXAAKZAQDPTD-LPHOPBHVSA-N 0 0 332.444 2.680 10 10 EFCERN COc1ccc(CNC(=O)c2cnccc2C(F)(F)F)c(O)c1 ZINC001617752534 1099257863 /nfs/dbraw/zinc/25/78/63/1099257863.db2.gz DPEBLEQCQYFXEL-UHFFFAOYSA-N 0 0 326.274 2.745 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001617879456 1099264731 /nfs/dbraw/zinc/26/47/31/1099264731.db2.gz LMSWRAQLPLJLST-UHFFFAOYSA-N 0 0 344.371 2.720 10 10 EFCERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001622096695 1099475802 /nfs/dbraw/zinc/47/58/02/1099475802.db2.gz WXKSOOKKBNIXRB-INIZCTEOSA-N 0 0 340.423 2.898 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001622317771 1099500514 /nfs/dbraw/zinc/50/05/14/1099500514.db2.gz XNBCIMFAVNADRA-UHFFFAOYSA-N 0 0 327.315 2.854 10 10 EFCERN O=C(Nc1ccc(OCCO)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001622634577 1099532153 /nfs/dbraw/zinc/53/21/53/1099532153.db2.gz BQDANKIKXZSZJC-UHFFFAOYSA-N 0 0 345.376 2.936 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cnccc1Nc1ccccc1 ZINC001622753202 1099539854 /nfs/dbraw/zinc/53/98/54/1099539854.db2.gz LNLHADPRAJPVMP-UHFFFAOYSA-N 0 0 349.390 2.631 10 10 EFCERN O=C(NCc1ccccc1O)[C@H](O)c1ccccc1C(F)(F)F ZINC001622772754 1099540894 /nfs/dbraw/zinc/54/08/94/1099540894.db2.gz FSQRXDPGYWECCR-CQSZACIVSA-N 0 0 325.286 2.761 10 10 EFCERN COc1cccc(CNC(=O)Cc2c[nH]c3nccc(Cl)c23)c1O ZINC001622778953 1099543377 /nfs/dbraw/zinc/54/33/77/1099543377.db2.gz CEPDJYPLFIBDMF-UHFFFAOYSA-N 0 0 345.786 2.789 10 10 EFCERN Cc1cnc2c(c1)N(C(=O)/C=C/c1ccc(Cl)nc1)CCN2C ZINC001623520269 1099597871 /nfs/dbraw/zinc/59/78/71/1099597871.db2.gz SGIGGSDIPBCBDA-GQCTYLIASA-N 0 0 328.803 2.935 10 10 EFCERN NC(=O)c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001623546370 1099600420 /nfs/dbraw/zinc/60/04/20/1099600420.db2.gz JXOWBZCAIFVJKD-UHFFFAOYSA-N 0 0 328.349 2.664 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Oc1ccc(C=O)cc1 ZINC001623574701 1099603263 /nfs/dbraw/zinc/60/32/63/1099603263.db2.gz XYGDMCUDJKRFFM-CYBMUJFWSA-N 0 0 348.395 2.774 10 10 EFCERN COc1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001623851572 1099634653 /nfs/dbraw/zinc/63/46/53/1099634653.db2.gz IATTTYZIVXGASD-IBGZPJMESA-N 0 0 327.380 2.916 10 10 EFCERN COC(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001623998554 1099649182 /nfs/dbraw/zinc/64/91/82/1099649182.db2.gz YYVUHIWBAOYQKS-UHFFFAOYSA-N 0 0 340.339 2.566 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2-n2cccn2)cc1 ZINC001624429194 1099691656 /nfs/dbraw/zinc/69/16/56/1099691656.db2.gz YGDLNOSBGRSPIQ-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN CNC(=O)CCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624626945 1099713486 /nfs/dbraw/zinc/71/34/86/1099713486.db2.gz YZTLJMWOJXVMRK-UHFFFAOYSA-N 0 0 331.460 2.552 10 10 EFCERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001624665512 1099717920 /nfs/dbraw/zinc/71/79/20/1099717920.db2.gz BFHKATCXMRHHQQ-LLVKDONJSA-N 0 0 331.416 2.778 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2C1 ZINC000843767042 1099738633 /nfs/dbraw/zinc/73/86/33/1099738633.db2.gz XHVLZVPZHQRAJK-OAHLLOKOSA-N 0 0 338.455 2.996 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccccn2)nc1 ZINC001624954853 1099753937 /nfs/dbraw/zinc/75/39/37/1099753937.db2.gz LMEJSDXFEVQMBL-CYBMUJFWSA-N 0 0 349.390 2.916 10 10 EFCERN Cn1cnc(-c2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)n1 ZINC001625051323 1099764569 /nfs/dbraw/zinc/76/45/69/1099764569.db2.gz MKTBFXYVVHFJMT-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)cc1 ZINC001625219836 1099783627 /nfs/dbraw/zinc/78/36/27/1099783627.db2.gz FTOYBAPAOXNKDY-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN COCCN(Cc1ccc(C)cc1C)C(=O)Cc1ccc(O)c(O)c1 ZINC001625297946 1099791270 /nfs/dbraw/zinc/79/12/70/1099791270.db2.gz OMACTAWRWJNPHG-UHFFFAOYSA-N 0 0 343.423 2.932 10 10 EFCERN CO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001625437420 1099809062 /nfs/dbraw/zinc/80/90/62/1099809062.db2.gz PFDJCOUPSGHMLZ-OAHLLOKOSA-N 0 0 326.356 2.967 10 10 EFCERN CC(=O)SCCCCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001625698532 1099841586 /nfs/dbraw/zinc/84/15/86/1099841586.db2.gz ZQGGHIBHAQFTRZ-UHFFFAOYSA-N 0 0 325.430 2.597 10 10 EFCERN Cc1nc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCCCCC2)no1 ZINC001626430810 1099874104 /nfs/dbraw/zinc/87/41/04/1099874104.db2.gz KXDGDOKWGWKTEB-UHFFFAOYSA-N 0 0 345.399 2.698 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)cc1 ZINC001626458586 1099878212 /nfs/dbraw/zinc/87/82/12/1099878212.db2.gz JYEZRPPDMONTGD-HNNXBMFYSA-N 0 0 338.367 2.842 10 10 EFCERN CCOC(=O)[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC001626723145 1099910515 /nfs/dbraw/zinc/91/05/15/1099910515.db2.gz VEOPNQBCLWBVCW-CRAIPNDOSA-N 0 0 348.487 2.944 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CC2CCCCC2)cc1 ZINC001626954462 1099939815 /nfs/dbraw/zinc/93/98/15/1099939815.db2.gz BUOXFTFQUVQIAM-OAHLLOKOSA-N 0 0 332.404 2.910 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1OCCc2ccccc21 ZINC001627073861 1099955651 /nfs/dbraw/zinc/95/56/51/1099955651.db2.gz YDKINVACCCDKQZ-LJQANCHMSA-N 0 0 334.375 2.871 10 10 EFCERN COC(=O)c1[nH]c(C)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001627214197 1099970050 /nfs/dbraw/zinc/97/00/50/1099970050.db2.gz DOLYPNGUVKDKNF-UHFFFAOYSA-N 0 0 346.364 2.988 10 10 EFCERN Cc1nnc(COc2ccc(NC(=O)c3cccc(O)c3O)cc2)o1 ZINC001627283663 1099977236 /nfs/dbraw/zinc/97/72/36/1099977236.db2.gz NIZCPKFFHAVYEB-UHFFFAOYSA-N 0 0 341.323 2.621 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC001628139269 1100066954 /nfs/dbraw/zinc/06/69/54/1100066954.db2.gz RTINJRXTVPQPOF-RRFJBIMHSA-N 0 0 330.388 2.615 10 10 EFCERN CCOC(=O)c1csc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001628157449 1100068359 /nfs/dbraw/zinc/06/83/59/1100068359.db2.gz IGJHJGZGBFBLSY-UHFFFAOYSA-N 0 0 347.356 2.735 10 10 EFCERN COc1ccc2c(c1)CN(C(=O)/C=C\c1ccc(O)c(O)c1)CCO2 ZINC001628169601 1100071236 /nfs/dbraw/zinc/07/12/36/1100071236.db2.gz IHMWJVPCQWTZTH-CLTKARDFSA-N 0 0 341.363 2.541 10 10 EFCERN CN(CCOc1ccc(Cl)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001628503840 1100107921 /nfs/dbraw/zinc/10/79/21/1100107921.db2.gz VLVUIYFJRGKWQK-UHFFFAOYSA-N 0 0 335.787 2.831 10 10 EFCERN CSc1nc(=O)[nH]c(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC001628667557 1100122603 /nfs/dbraw/zinc/12/26/03/1100122603.db2.gz XEYXWRZUJGFWJT-UHFFFAOYSA-N 0 0 339.804 2.502 10 10 EFCERN O=C(C[C@H]1C(=O)Nc2c1cccc2F)NCc1cc(Cl)ccc1O ZINC001628679848 1100123875 /nfs/dbraw/zinc/12/38/75/1100123875.db2.gz BCFFXSZCRDNCMC-GFCCVEGCSA-N 0 0 348.761 2.927 10 10 EFCERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc(Cl)ccc1O ZINC001628680313 1100124874 /nfs/dbraw/zinc/12/48/74/1100124874.db2.gz GBKLBVBXORZTBR-UHFFFAOYSA-N 0 0 338.722 2.952 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC001628886358 1100145723 /nfs/dbraw/zinc/14/57/23/1100145723.db2.gz VURPZVBBDAOOAP-AWEZNQCLSA-N 0 0 335.787 2.534 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1cncn1C ZINC001628954579 1100153254 /nfs/dbraw/zinc/15/32/54/1100153254.db2.gz MVADZDRPLMKYLR-UHFFFAOYSA-N 0 0 326.444 2.612 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001628954703 1100153440 /nfs/dbraw/zinc/15/34/40/1100153440.db2.gz PVFAZPGCJPNKTL-INIZCTEOSA-N 0 0 338.455 2.773 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)c(F)cc3N)C2)cc1 ZINC001629083610 1100167992 /nfs/dbraw/zinc/16/79/92/1100167992.db2.gz JBFAUAVRELFGAH-ZDUSSCGKSA-N 0 0 343.402 2.734 10 10 EFCERN O=C(NCCOc1cccnc1)c1cc2cc(O)c(O)cc2s1 ZINC001629216130 1100182484 /nfs/dbraw/zinc/18/24/84/1100182484.db2.gz MTPSCXZLTRJUOS-UHFFFAOYSA-N 0 0 330.365 2.516 10 10 EFCERN Cn1cc(-c2ncccc2NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001629223798 1100184759 /nfs/dbraw/zinc/18/47/59/1100184759.db2.gz MRVMIOFIWDTZSC-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001629393808 1100205780 /nfs/dbraw/zinc/20/57/80/1100205780.db2.gz IOUHSEQUJWIMLI-OAHLLOKOSA-N 0 0 329.371 2.871 10 10 EFCERN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(O)c1O ZINC001629477505 1100214313 /nfs/dbraw/zinc/21/43/13/1100214313.db2.gz JXTPWDGVGNMQBV-UHFFFAOYSA-N 0 0 326.352 2.586 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(-n2cccc2)c1 ZINC001126523054 1100223973 /nfs/dbraw/zinc/22/39/73/1100223973.db2.gz LJWCBAVQWUXJSF-UHFFFAOYSA-N 0 0 348.406 2.978 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc3nnc(C(F)F)n3c2)c1 ZINC001629740845 1100241681 /nfs/dbraw/zinc/24/16/81/1100241681.db2.gz QOMCBUZNOPXCFT-UHFFFAOYSA-N 0 0 332.310 2.611 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001629737376 1100241926 /nfs/dbraw/zinc/24/19/26/1100241926.db2.gz YWLZGIPSOYJYII-UHFFFAOYSA-N 0 0 339.351 2.880 10 10 EFCERN CCOc1nc2cc(C(=O)NCc3cc(C)ccc3O)ccc2[nH]1 ZINC001629740213 1100242461 /nfs/dbraw/zinc/24/24/61/1100242461.db2.gz AEPIVCHPDLBKHS-UHFFFAOYSA-N 0 0 325.368 2.906 10 10 EFCERN COc1ccc2c(c1)N(C(=O)c1ccc(N=NC(N)=O)cc1)CCO2 ZINC001630183859 1100283051 /nfs/dbraw/zinc/28/30/51/1100283051.db2.gz PGKRBWPQFLKCEA-UHFFFAOYSA-N 0 0 340.339 2.897 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1 ZINC001630200786 1100284167 /nfs/dbraw/zinc/28/41/67/1100284167.db2.gz QYOKVZIZUAZFJA-UHFFFAOYSA-N 0 0 342.359 2.718 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c(O)c1 ZINC001630273691 1100290372 /nfs/dbraw/zinc/29/03/72/1100290372.db2.gz SWTIVUMYTVIBRR-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(F)ccc1Br ZINC001630301728 1100291635 /nfs/dbraw/zinc/29/16/35/1100291635.db2.gz IUOYESJUAMVXNS-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CSc1ccc(O[C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001630302085 1100292254 /nfs/dbraw/zinc/29/22/54/1100292254.db2.gz QORVSYAPYMLCAH-NSHDSACASA-N 0 0 333.409 2.903 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001630306427 1100292436 /nfs/dbraw/zinc/29/24/36/1100292436.db2.gz BRROOICKDLZHCN-UHFFFAOYSA-N 0 0 342.351 2.744 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C)nc(NC3CC3)c2)c1O ZINC001630366098 1100298767 /nfs/dbraw/zinc/29/87/67/1100298767.db2.gz LLCKYCYHBBDRRV-UHFFFAOYSA-N 0 0 327.384 2.609 10 10 EFCERN CN(C)C(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001630532402 1100315206 /nfs/dbraw/zinc/31/52/06/1100315206.db2.gz KMJCRTMLMOBFBX-UHFFFAOYSA-N 0 0 349.390 2.572 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3cccc(F)c3N)CC2)cc1 ZINC001630713489 1100332819 /nfs/dbraw/zinc/33/28/19/1100332819.db2.gz NBFOHZOSHKECRG-UHFFFAOYSA-N 0 0 343.402 2.769 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)c2ncon2)c1 ZINC001630803273 1100341873 /nfs/dbraw/zinc/34/18/73/1100341873.db2.gz GJPNPTHKXNKLEB-LBPRGKRZSA-N 0 0 338.367 2.781 10 10 EFCERN CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001631005584 1100359966 /nfs/dbraw/zinc/35/99/66/1100359966.db2.gz FPUDCCDGGGWPKV-UHFFFAOYSA-N 0 0 348.786 2.634 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC001631265658 1100382824 /nfs/dbraw/zinc/38/28/24/1100382824.db2.gz LHQPOZJHXMLDMK-UHFFFAOYSA-N 0 0 348.366 2.965 10 10 EFCERN CCOC(=O)[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC001631265815 1100383543 /nfs/dbraw/zinc/38/35/43/1100383543.db2.gz NQGNKNLOFBRVRG-QGZVFWFLSA-N 0 0 334.460 2.936 10 10 EFCERN CC(=O)Nc1ncccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001631340918 1100389209 /nfs/dbraw/zinc/38/92/09/1100389209.db2.gz BJIASSOXUPKNIP-UHFFFAOYSA-N 0 0 343.364 2.918 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cccc(=O)[nH]2)c1 ZINC001631389612 1100394654 /nfs/dbraw/zinc/39/46/54/1100394654.db2.gz GAGQXSVXIPDCSI-UHFFFAOYSA-N 0 0 349.390 2.937 10 10 EFCERN COC(=O)c1ccc(/C=C\C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC001631541838 1100408827 /nfs/dbraw/zinc/40/88/27/1100408827.db2.gz BAAAGBLMJMKTQW-WDDYJBPVSA-N 0 0 345.351 2.671 10 10 EFCERN CN1CCc2nc3ccccc3c(C(=O)NCc3ccccc3O)c2C1 ZINC001631540002 1100408852 /nfs/dbraw/zinc/40/88/52/1100408852.db2.gz IZXSUTZSBAMAOH-UHFFFAOYSA-N 0 0 347.418 2.858 10 10 EFCERN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631646877 1100415976 /nfs/dbraw/zinc/41/59/76/1100415976.db2.gz JGFLKLNDAUNATM-CXAGYDPISA-N 0 0 346.387 2.701 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001632044247 1100449307 /nfs/dbraw/zinc/44/93/07/1100449307.db2.gz HQXNTSRQVDQWEC-BEFAXECRSA-N 0 0 346.471 2.721 10 10 EFCERN CC(C)(C)Oc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001632116999 1100454861 /nfs/dbraw/zinc/45/48/61/1100454861.db2.gz NKLZRRZMUPTFTL-UHFFFAOYSA-N 0 0 330.384 2.529 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](OC)C3CCCC3)CC2)cc1 ZINC001632158078 1100456571 /nfs/dbraw/zinc/45/65/71/1100456571.db2.gz PNNPLIYUYRXFIP-IBGZPJMESA-N 0 0 346.471 2.939 10 10 EFCERN C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccc1O ZINC001632249771 1100462745 /nfs/dbraw/zinc/46/27/45/1100462745.db2.gz AZXJUCZVBCIQFU-JTQLQIEISA-N 0 0 328.397 2.740 10 10 EFCERN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001632250188 1100463003 /nfs/dbraw/zinc/46/30/03/1100463003.db2.gz MRRXESGDOBXJCY-LBPRGKRZSA-N 0 0 330.340 2.947 10 10 EFCERN C[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1O ZINC001632247031 1100463070 /nfs/dbraw/zinc/46/30/70/1100463070.db2.gz RSROBVOWLLIBPY-LLVKDONJSA-N 0 0 327.340 2.845 10 10 EFCERN CC(C)n1ncc2c1[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001632393467 1100470576 /nfs/dbraw/zinc/47/05/76/1100470576.db2.gz RWPHGLFDDDNKGH-CQSZACIVSA-N 0 0 329.400 2.612 10 10 EFCERN Nc1c(F)cccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001632398362 1100471151 /nfs/dbraw/zinc/47/11/51/1100471151.db2.gz GAMIYFGZQFMUQF-AWEZNQCLSA-N 0 0 344.386 2.935 10 10 EFCERN Cc1cc2c(cc1NC(=O)Cc1ccc(O)c(O)c1)sc(=O)n2C ZINC001632551106 1100484280 /nfs/dbraw/zinc/48/42/80/1100484280.db2.gz OAOMRPITMRQLTR-UHFFFAOYSA-N 0 0 344.392 2.501 10 10 EFCERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC001632708742 1100495150 /nfs/dbraw/zinc/49/51/50/1100495150.db2.gz FABRBAFHQTVHJB-CYBMUJFWSA-N 0 0 334.375 2.750 10 10 EFCERN O=C(c1cc(Br)cnc1F)N1Cc2cccc(O)c2C1 ZINC001632708622 1100495159 /nfs/dbraw/zinc/49/51/59/1100495159.db2.gz CINLDPBBVMROCR-UHFFFAOYSA-N 0 0 337.148 2.845 10 10 EFCERN O=C(NCCCSc1nccs1)c1nncc2ccccc21 ZINC001632806904 1100501826 /nfs/dbraw/zinc/50/18/26/1100501826.db2.gz GICWUGAXKQKNQP-UHFFFAOYSA-N 0 0 330.438 2.999 10 10 EFCERN C[C@H](NC(=O)c1ccc2c(N)ncnc2c1)c1ccc(N(C)C)cc1 ZINC001633315418 1100536224 /nfs/dbraw/zinc/53/62/24/1100536224.db2.gz OSZCXEJVGHSBGO-LBPRGKRZSA-N 0 0 335.411 2.769 10 10 EFCERN CSc1ccc(C(=O)NCc2cccc(O)c2O)cc1[N+](=O)[O-] ZINC001633506895 1100546060 /nfs/dbraw/zinc/54/60/60/1100546060.db2.gz CFHWRDGNYUXGJO-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN CN(C)c1cc(C(=O)NCc2cccc(O)c2O)c2ccccc2n1 ZINC001633515960 1100547374 /nfs/dbraw/zinc/54/73/74/1100547374.db2.gz YFNPYSRONNCMFB-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN COc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc(C)c(O)c3O)nc2c1 ZINC001633537042 1100548413 /nfs/dbraw/zinc/54/84/13/1100548413.db2.gz IARSBSOSBDVRCK-SNVBAGLBSA-N 0 0 341.367 2.782 10 10 EFCERN CC(C)(C)n1nc(C(=O)NCc2cc(O)ccc2O)cc1C1CC1 ZINC001633595191 1100552982 /nfs/dbraw/zinc/55/29/82/1100552982.db2.gz LLQNGGKXNLMZJY-UHFFFAOYSA-N 0 0 329.400 2.857 10 10 EFCERN Cn1cc(C(=O)NCc2cc(O)ccc2O)c(C2CCCCC2)n1 ZINC001633595022 1100552999 /nfs/dbraw/zinc/55/29/99/1100552999.db2.gz FFWOPYDIFLDEEY-UHFFFAOYSA-N 0 0 329.400 2.809 10 10 EFCERN C[C@@H](CCc1cccn1C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633611856 1100554877 /nfs/dbraw/zinc/55/48/77/1100554877.db2.gz RKPVKZSPAOMJHU-LBPRGKRZSA-N 0 0 327.388 2.939 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001633819951 1100567243 /nfs/dbraw/zinc/56/72/43/1100567243.db2.gz XTLIUPWWXBSZAS-LBPRGKRZSA-N 0 0 337.379 2.849 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CO ZINC001633818445 1100567659 /nfs/dbraw/zinc/56/76/59/1100567659.db2.gz IFXWWWFWIZJGCJ-NSHDSACASA-N 0 0 341.363 2.697 10 10 EFCERN COC(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001633844854 1100569389 /nfs/dbraw/zinc/56/93/89/1100569389.db2.gz HMWQIFMYLBQCSX-UHFFFAOYSA-N 0 0 346.387 2.702 10 10 EFCERN COc1ccc(CNC(=O)c2cccc3c2OC(F)(F)O3)c(O)c1 ZINC001633926572 1100574774 /nfs/dbraw/zinc/57/47/74/1100574774.db2.gz IPIMZOUVPSLECF-UHFFFAOYSA-N 0 0 337.278 2.652 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001634097832 1100584960 /nfs/dbraw/zinc/58/49/60/1100584960.db2.gz ZKZSEAJNVUMGBO-CXAGYDPISA-N 0 0 333.334 2.805 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c(O)c1O ZINC001634273000 1100595620 /nfs/dbraw/zinc/59/56/20/1100595620.db2.gz URCVKJQWDRQBBO-UHFFFAOYSA-N 0 0 328.303 2.583 10 10 EFCERN CCc1nnc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)o1 ZINC001634523187 1100613811 /nfs/dbraw/zinc/61/38/11/1100613811.db2.gz RLEGAXONWHFFGV-UHFFFAOYSA-N 0 0 339.351 2.891 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc(F)c1N ZINC001634943927 1100637181 /nfs/dbraw/zinc/63/71/81/1100637181.db2.gz HRBURUOYIKSPHF-UHFFFAOYSA-N 0 0 327.327 2.668 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccnc(OCC(F)F)c1 ZINC001635360717 1100656452 /nfs/dbraw/zinc/65/64/52/1100656452.db2.gz QQPPDJFYYYGELS-UHFFFAOYSA-N 0 0 326.274 2.500 10 10 EFCERN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001635357028 1100656589 /nfs/dbraw/zinc/65/65/89/1100656589.db2.gz BMGWJUBMTXINLP-UHFFFAOYSA-N 0 0 343.383 2.681 10 10 EFCERN CN=[S@](C)(=O)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001635477664 1100663998 /nfs/dbraw/zinc/66/39/98/1100663998.db2.gz VPSSQIWUXODKTF-RXVLNYDTSA-N 0 0 346.408 2.836 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1 ZINC001635663252 1100673645 /nfs/dbraw/zinc/67/36/45/1100673645.db2.gz NFNRVEXILHCHFZ-DOTOQJQBSA-N 0 0 349.427 2.632 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001635687490 1100674489 /nfs/dbraw/zinc/67/44/89/1100674489.db2.gz FSYQGZMJQMSUIV-YTMPYJOOSA-N 0 0 343.354 2.850 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccccn3)CC2)cc1 ZINC001635784253 1100679534 /nfs/dbraw/zinc/67/95/34/1100679534.db2.gz JNHZQTQMNZEYCL-OAHLLOKOSA-N 0 0 325.412 2.543 10 10 EFCERN C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1O ZINC001635794142 1100680257 /nfs/dbraw/zinc/68/02/57/1100680257.db2.gz XWXQMUXZQXYQNG-GFCCVEGCSA-N 0 0 339.347 2.755 10 10 EFCERN C[C@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)c1ccccc1O ZINC001635799314 1100680765 /nfs/dbraw/zinc/68/07/65/1100680765.db2.gz YCVAYJULWCBABE-NSHDSACASA-N 0 0 339.399 2.618 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ncoc1-c1ccc(F)cc1 ZINC001635847975 1100683683 /nfs/dbraw/zinc/68/36/83/1100683683.db2.gz YIMDRBXWLWPOFY-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl ZINC001636023133 1100694833 /nfs/dbraw/zinc/69/48/33/1100694833.db2.gz YPAIRLPOZOGLDQ-UHFFFAOYSA-N 0 0 348.786 2.682 10 10 EFCERN Cc1c(C(=O)NCc2ccccc2O)sc2nc(C)nc(N)c12 ZINC001636057832 1100697058 /nfs/dbraw/zinc/69/70/58/1100697058.db2.gz KLXBTJVLKUZKJA-UHFFFAOYSA-N 0 0 328.397 2.526 10 10 EFCERN COC(=O)Nc1cc(C(=O)NCc2cccc(OC)c2O)ccc1F ZINC001636061268 1100697400 /nfs/dbraw/zinc/69/74/00/1100697400.db2.gz LJANLEBGIDRADF-UHFFFAOYSA-N 0 0 348.330 2.648 10 10 EFCERN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC001636231108 1100707933 /nfs/dbraw/zinc/70/79/33/1100707933.db2.gz RBUAAQYOEBVHNS-UHFFFAOYSA-N 0 0 348.406 2.675 10 10 EFCERN CCc1noc([C@@H]2CC[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC001636675766 1100732490 /nfs/dbraw/zinc/73/24/90/1100732490.db2.gz SJSJZHNJXZNBFG-IVBLRQQYSA-N 0 0 343.383 2.509 10 10 EFCERN CCc1noc([C@@H]2CC[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC001636675764 1100732661 /nfs/dbraw/zinc/73/26/61/1100732661.db2.gz SJSJZHNJXZNBFG-BLUMVJBISA-N 0 0 343.383 2.509 10 10 EFCERN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cccc(O)c1O ZINC001637034910 1100752746 /nfs/dbraw/zinc/75/27/46/1100752746.db2.gz NXKCUCZEPWPNPJ-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN CCOC(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001637122724 1100758822 /nfs/dbraw/zinc/75/88/22/1100758822.db2.gz ODIDXMNWLNMOHB-UHFFFAOYSA-N 0 0 330.340 2.596 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1csc(Nc2ccccn2)n1 ZINC001637126369 1100758855 /nfs/dbraw/zinc/75/88/55/1100758855.db2.gz VNOTYPJXCRFBHV-UHFFFAOYSA-N 0 0 342.380 2.623 10 10 EFCERN CC[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)OCCc2ccccc21 ZINC001637226614 1100766304 /nfs/dbraw/zinc/76/63/04/1100766304.db2.gz VDBFWFILEIBFJM-FQEVSTJZSA-N 0 0 341.407 2.635 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001637551012 1100789520 /nfs/dbraw/zinc/78/95/20/1100789520.db2.gz AOQHDRUWLKLDRJ-GOSISDBHSA-N 0 0 327.380 2.631 10 10 EFCERN Cc1ccn(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2O)n1 ZINC001638472774 1100861855 /nfs/dbraw/zinc/86/18/55/1100861855.db2.gz KIMXZHSHABXGBE-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN Cc1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC001638543849 1100866543 /nfs/dbraw/zinc/86/65/43/1100866543.db2.gz XQZCGBOXLHBAAN-RTBURBONSA-N 0 0 342.439 2.543 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2[nH]cnc2c1F ZINC001638573242 1100870645 /nfs/dbraw/zinc/87/06/45/1100870645.db2.gz OIWPOYDCDMIJNW-UHFFFAOYSA-N 0 0 336.326 2.886 10 10 EFCERN COc1cccc(OC)c1C(=O)NCc1ccc2cccnc2c1O ZINC001638573228 1100870922 /nfs/dbraw/zinc/87/09/22/1100870922.db2.gz NVZBFGYRDQIONH-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638829662 1100889601 /nfs/dbraw/zinc/88/96/01/1100889601.db2.gz VPSYZHBEJGAJMO-LBPRGKRZSA-N 0 0 346.258 2.983 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H](O)c1ccccc1C(F)(F)F ZINC001638866881 1100893980 /nfs/dbraw/zinc/89/39/80/1100893980.db2.gz QYHYAZNZWDSDRY-AWEZNQCLSA-N 0 0 343.276 2.900 10 10 EFCERN CS(C)(=O)=Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001638892086 1100896311 /nfs/dbraw/zinc/89/63/11/1100896311.db2.gz UHDJTLLSNUDJLV-UHFFFAOYSA-N 0 0 334.397 2.638 10 10 EFCERN COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C1CCCCCC1 ZINC001639002219 1100903871 /nfs/dbraw/zinc/90/38/71/1100903871.db2.gz MUWFBCYEQLBVHT-HNNXBMFYSA-N 0 0 349.427 2.896 10 10 EFCERN CCn1cc(C(=O)NCc2c(O)cccc2O)c(-c2ccccc2)n1 ZINC001639292650 1100935027 /nfs/dbraw/zinc/93/50/27/1100935027.db2.gz LORYMNUIZDEUGI-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN CC(=O)Nc1nc(C(=O)NCc2c(O)ccc3ccccc32)cs1 ZINC001639383985 1100943319 /nfs/dbraw/zinc/94/33/19/1100943319.db2.gz DTIKOWWINLFWAT-UHFFFAOYSA-N 0 0 341.392 2.890 10 10 EFCERN Cc1nn2cccnc2c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384868 1100943632 /nfs/dbraw/zinc/94/36/32/1100943632.db2.gz YMBNMICGELQMDP-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001639849828 1100988957 /nfs/dbraw/zinc/98/89/57/1100988957.db2.gz KCZRLQVLATXJGF-DZUCGIPZSA-N 0 0 347.455 2.819 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1 ZINC001639873686 1100990898 /nfs/dbraw/zinc/99/08/98/1100990898.db2.gz YKJFAUWKHDUKST-HNNXBMFYSA-N 0 0 344.346 2.842 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cn(-c2ccccc2)nn1 ZINC001639965446 1100999378 /nfs/dbraw/zinc/99/93/78/1100999378.db2.gz JXZFVCIIAYUAFN-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(Cl)c3N)C2)cc1 ZINC001640266237 1101030857 /nfs/dbraw/zinc/03/08/57/1101030857.db2.gz RYONFODWAHDHJU-LBPRGKRZSA-N 0 0 345.830 2.940 10 10 EFCERN O=C(OC[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1)N1CCCC1 ZINC001640327136 1101035206 /nfs/dbraw/zinc/03/52/06/1101035206.db2.gz ZPSBAUOPTGXYKJ-LBPRGKRZSA-N 0 0 338.429 2.681 10 10 EFCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(-c2ccoc2)n1 ZINC001640404770 1101043314 /nfs/dbraw/zinc/04/33/14/1101043314.db2.gz GBGWFVLUIMCLQA-UHFFFAOYSA-N 0 0 331.759 2.969 10 10 EFCERN COC(=O)/C=C\c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001640452878 1101047694 /nfs/dbraw/zinc/04/76/94/1101047694.db2.gz KFACBETYXQPDRV-VURMDHGXSA-N 0 0 344.323 2.804 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001640746457 1101075064 /nfs/dbraw/zinc/07/50/64/1101075064.db2.gz RECRVPLATXESOE-MRXNPFEDSA-N 0 0 339.439 2.971 10 10 EFCERN CCc1ncc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001640924443 1101089026 /nfs/dbraw/zinc/08/90/26/1101089026.db2.gz MBZOWJKYDIPWJN-UHFFFAOYSA-N 0 0 326.183 2.981 10 10 EFCERN CCC(=O)c1ccc(NC(=O)C(=CC2=S=CC=C2)NC(C)=O)cc1 ZINC001641445781 1101136681 /nfs/dbraw/zinc/13/66/81/1101136681.db2.gz DBNQRCOBRPXSKW-LFIBNONCSA-N 0 0 342.420 2.515 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)c1 ZINC001641732487 1101161440 /nfs/dbraw/zinc/16/14/40/1101161440.db2.gz CMTAXZWFEIZGEF-CQSZACIVSA-N 0 0 342.420 2.585 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](c2ccccc2)CC1 ZINC001641926206 1101176144 /nfs/dbraw/zinc/17/61/44/1101176144.db2.gz NNPMPFBTKNKNEW-HNNXBMFYSA-N 0 0 331.343 2.841 10 10 EFCERN COc1ncc(Br)c(NCc2ccc(N(C)C)cc2)n1 ZINC001641993930 1101180752 /nfs/dbraw/zinc/18/07/52/1101180752.db2.gz MIAMZAXBZBGWHG-UHFFFAOYSA-N 0 0 337.221 2.926 10 10 EFCERN Cc1cc(CCNC(=O)c2cc(=O)[nH]cn2)c(C)n1-c1ccccc1 ZINC001642091332 1101189790 /nfs/dbraw/zinc/18/97/90/1101189790.db2.gz RIMCWXOXPPOHTF-UHFFFAOYSA-N 0 0 336.395 2.562 10 10 EFCERN COc1ccc(-c2nccc(NCCc3ccc(O)c(O)c3)n2)cc1 ZINC001642364988 1101209942 /nfs/dbraw/zinc/20/99/42/1101209942.db2.gz OZOIVYMSLCCCCO-UHFFFAOYSA-N 0 0 337.379 2.640 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ccncn3)CC2)cc1 ZINC001642604872 1101226729 /nfs/dbraw/zinc/22/67/29/1101226729.db2.gz BBNLZVFUOYKHQY-UHFFFAOYSA-N 0 0 338.371 2.659 10 10 EFCERN COC(=O)COc1ccc(N(C)CC(=O)c2ccccc2F)cc1 ZINC001642689300 1101232670 /nfs/dbraw/zinc/23/26/70/1101232670.db2.gz OOECXZUXSPWTOZ-UHFFFAOYSA-N 0 0 331.343 2.697 10 10 EFCERN CCc1c(C)nc2ncnn2c1NCc1ccc2cccnc2c1O ZINC001642823377 1101245124 /nfs/dbraw/zinc/24/51/24/1101245124.db2.gz DVWMFGCRHJMGFS-UHFFFAOYSA-N 0 0 334.383 2.861 10 10 EFCERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1O ZINC001643063285 1101267326 /nfs/dbraw/zinc/26/73/26/1101267326.db2.gz AVWCDXMWFVZBSX-SNVBAGLBSA-N 0 0 336.369 2.877 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(OC(F)F)c(F)c1 ZINC001643104365 1101270403 /nfs/dbraw/zinc/27/04/03/1101270403.db2.gz VWIRSUDDCHUZKE-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN O=[N+]([O-])c1cc(Br)cnc1NCc1c(O)cccc1O ZINC001643226037 1101282601 /nfs/dbraw/zinc/28/26/01/1101282601.db2.gz JXSDUZWENAZMAO-UHFFFAOYSA-N 0 0 340.133 2.776 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccccc1F ZINC001643242207 1101284025 /nfs/dbraw/zinc/28/40/25/1101284025.db2.gz GDRQQFZBQHKERA-UHFFFAOYSA-N 0 0 331.343 2.737 10 10 EFCERN COc1ccc(OC)c2sc(NC(=O)c3cccc(O)c3O)nc21 ZINC001643261016 1101285150 /nfs/dbraw/zinc/28/51/50/1101285150.db2.gz AFXUDLGFDRJFKH-UHFFFAOYSA-N 0 0 346.364 2.977 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1COCC2 ZINC001643284364 1101287298 /nfs/dbraw/zinc/28/72/98/1101287298.db2.gz BNKNVGWRTFFMLQ-UHFFFAOYSA-N 0 0 334.375 2.943 10 10 EFCERN O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1cccc(O)c1O ZINC001643343461 1101292081 /nfs/dbraw/zinc/29/20/81/1101292081.db2.gz XWFGKQWSKJSAHZ-UHFFFAOYSA-N 0 0 325.324 2.740 10 10 EFCERN CC(C)OC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001652144500 1101443885 /nfs/dbraw/zinc/44/38/85/1101443885.db2.gz MJLZEOYLMBOPLZ-UHFFFAOYSA-N 0 0 346.387 2.653 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2ncon2)C1 ZINC001652268651 1101464296 /nfs/dbraw/zinc/46/42/96/1101464296.db2.gz OTTOTQXFEQVENP-VIFPVBQESA-N 0 0 345.380 2.715 10 10 EFCERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2c(O)cccc2F)c1 ZINC001652295713 1101471345 /nfs/dbraw/zinc/47/13/45/1101471345.db2.gz QEKITXXWGQZPNM-GFCCVEGCSA-N 0 0 331.343 2.818 10 10 EFCERN COc1cccc(C(F)(F)C(=O)NCc2c(O)cccc2F)c1 ZINC001652298273 1101471378 /nfs/dbraw/zinc/47/13/78/1101471378.db2.gz IGUIMIDEJCXMPE-UHFFFAOYSA-N 0 0 325.286 2.948 10 10 EFCERN CC(C)(C(=O)NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001652625713 1101522311 /nfs/dbraw/zinc/52/23/11/1101522311.db2.gz JRFQOVRIBPDNPP-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1c(O)cccc1O ZINC001652628451 1101524062 /nfs/dbraw/zinc/52/40/62/1101524062.db2.gz CMPAALKUNQKOBN-SNVBAGLBSA-N 0 0 331.393 2.611 10 10 EFCERN C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705788 1101533522 /nfs/dbraw/zinc/53/35/22/1101533522.db2.gz NVXAVWXEKIGQBP-UKRRQHHQSA-N 0 0 329.396 2.746 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC001653160671 1101592823 /nfs/dbraw/zinc/59/28/23/1101592823.db2.gz KGRPSNYZYWZKNF-DZGCQCFKSA-N 0 0 330.388 2.784 10 10 EFCERN CC(=O)Nc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001653566944 1101632037 /nfs/dbraw/zinc/63/20/37/1101632037.db2.gz GWDKAUYOBXKTCW-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1O ZINC001653611918 1101636004 /nfs/dbraw/zinc/63/60/04/1101636004.db2.gz QOPJKNVDCBBGBT-UHFFFAOYSA-N 0 0 340.339 2.982 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@H](CO)c2ccc(F)cc2F)c1O ZINC001654313567 1101703918 /nfs/dbraw/zinc/70/39/18/1101703918.db2.gz GUWSBZNYKGUHIR-MRXNPFEDSA-N 0 0 339.313 2.835 10 10 EFCERN C[C@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(Cl)c1 ZINC001654470549 1101720192 /nfs/dbraw/zinc/72/01/92/1101720192.db2.gz KPBHQKWJAAYQBV-INIZCTEOSA-N 0 0 339.750 2.528 10 10 EFCERN C[C@@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(Cl)c1 ZINC001654470550 1101720478 /nfs/dbraw/zinc/72/04/78/1101720478.db2.gz KPBHQKWJAAYQBV-MRXNPFEDSA-N 0 0 339.750 2.528 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001654958108 1101774051 /nfs/dbraw/zinc/77/40/51/1101774051.db2.gz YZHJPKMHSSTPMC-UHFFFAOYSA-N 0 0 329.356 2.987 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC(=O)NC[C@H]2C(C)(C)C)c1O ZINC001655695700 1101873037 /nfs/dbraw/zinc/87/30/37/1101873037.db2.gz LPXSDWADRQVBEJ-AWEZNQCLSA-N 0 0 338.835 2.595 10 10 EFCERN COC(=O)C=Cc1ccc(N(C)Cc2cccc(=O)[nH]2)c([N+](=O)[O-])c1 ZINC001655887795 1101905956 /nfs/dbraw/zinc/90/59/56/1101905956.db2.gz WTZLBZWYSZEZOQ-VQHVLOKHSA-N 0 0 343.339 2.518 10 10 EFCERN CCOc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588406382 1101927464 /nfs/dbraw/zinc/92/74/64/1101927464.db2.gz GBWATUYKYKSAON-YVMONPNESA-N 0 0 331.343 2.965 10 10 EFCERN COc1ccccc1CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406728 1101928696 /nfs/dbraw/zinc/92/86/96/1101928696.db2.gz OIOGLPXIFOTNDQ-NTMALXAHSA-N 0 0 327.380 2.821 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ncnc3ccsc32)cc1F ZINC001125534093 1102326301 /nfs/dbraw/zinc/32/63/01/1102326301.db2.gz BCTKKBRMZZLESZ-UHFFFAOYSA-N 0 0 330.388 2.826 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC001125535699 1102364613 /nfs/dbraw/zinc/36/46/13/1102364613.db2.gz ZQUQNJHUEJWDHO-UHFFFAOYSA-N 0 0 340.349 2.651 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000843550262 1102465827 /nfs/dbraw/zinc/46/58/27/1102465827.db2.gz FMOHHXHKPAXUMO-ZDUSSCGKSA-N 0 0 326.444 2.770 10 10 EFCERN CN(Cc1cc(=O)n2nccc2[nH]1)c1ccc(-c2nccs2)cc1 ZINC001658932907 1102498684 /nfs/dbraw/zinc/49/86/84/1102498684.db2.gz UELNJHMMGDDAGT-UHFFFAOYSA-N 0 0 337.408 2.783 10 10 EFCERN COc1cc(OCC(=O)N[C@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001648890006 1102549651 /nfs/dbraw/zinc/54/96/51/1102549651.db2.gz WDLPHLMFFYJXQL-LLVKDONJSA-N 0 0 346.339 2.565 10 10 EFCERN COc1cc(C(=O)N[C@@H](C)c2ccccc2O)c([N+](=O)[O-])cc1F ZINC001648892401 1102556762 /nfs/dbraw/zinc/55/67/62/1102556762.db2.gz ZEROVMPWCSDJBF-VIFPVBQESA-N 0 0 334.303 2.939 10 10 EFCERN CCOc1ccc(N(C)CC2=NS(=O)(=O)c3ccccc32)cc1 ZINC001660054364 1102587560 /nfs/dbraw/zinc/58/75/60/1102587560.db2.gz HCXYAMRHOHMEST-UHFFFAOYSA-N 0 0 330.409 2.713 10 10 EFCERN COC(=O)c1ccc2c(c1)OCCN(Cc1ccc(N(C)C)cc1)C2 ZINC001660582224 1102861314 /nfs/dbraw/zinc/86/13/14/1102861314.db2.gz ASDBTWNVLANORY-UHFFFAOYSA-N 0 0 340.423 2.934 10 10 EFCERN C=Cc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC001661789973 1103428980 /nfs/dbraw/zinc/42/89/80/1103428980.db2.gz PNYWYJQOVQEDHJ-UHFFFAOYSA-N 0 0 344.436 2.983 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)cc1F ZINC001625952161 1103436054 /nfs/dbraw/zinc/43/60/54/1103436054.db2.gz VNBVAHQRNWJMJQ-UHFFFAOYSA-N 0 0 343.402 2.700 10 10 EFCERN COc1cc(O)c(CN2CCS[C@H](C(F)(F)F)C2)cc1OC ZINC000905705870 1103516687 /nfs/dbraw/zinc/51/66/87/1103516687.db2.gz PLAICKQZHLNDFD-ZDUSSCGKSA-N 0 0 337.363 2.889 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)C1(OC)CC1 ZINC000843820297 1103964306 /nfs/dbraw/zinc/96/43/06/1103964306.db2.gz QQSUBGRVSCVEMX-UHFFFAOYSA-N 0 0 328.206 2.682 10 10 EFCERN COc1cccc(C(C)=CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784053464 1104058022 /nfs/dbraw/zinc/05/80/22/1104058022.db2.gz FNQBNUDKYQMZMT-XYOKQWHBSA-N 0 0 342.347 2.936 10 10 EFCERN CCO[C@H]1[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000906260559 1104075792 /nfs/dbraw/zinc/07/57/92/1104075792.db2.gz JOMCRQCLYVIGFF-IAOVAPTHSA-N 0 0 334.485 2.527 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000906510825 1104256853 /nfs/dbraw/zinc/25/68/53/1104256853.db2.gz DIWVIXJRLALWCT-MOPGFXCFSA-N 0 0 344.455 2.595 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnn(C3CC3)c2N)cc1F ZINC000906628488 1104408417 /nfs/dbraw/zinc/40/84/17/1104408417.db2.gz RQCDSUHUHXLOIY-UHFFFAOYSA-N 0 0 345.422 2.716 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000841862312 1105702725 /nfs/dbraw/zinc/70/27/25/1105702725.db2.gz JUUKDGOLRSWTAP-INIZCTEOSA-N 0 0 349.500 2.555 10 10 EFCERN CC(=O)c1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1C ZINC001672651035 1105880983 /nfs/dbraw/zinc/88/09/83/1105880983.db2.gz GMQDMNLZCNJDST-UHFFFAOYSA-N 0 0 328.368 2.973 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1Cc2ccccc2O1 ZINC001672752141 1105895015 /nfs/dbraw/zinc/89/50/15/1105895015.db2.gz QLPLRHHLHUCJIA-ZDUSSCGKSA-N 0 0 332.787 2.849 10 10 EFCERN Cc1c(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)cnn1C ZINC000897611686 1105934165 /nfs/dbraw/zinc/93/41/65/1105934165.db2.gz VZVYGQHHCOGOJF-UHFFFAOYSA-N 0 0 331.397 2.627 10 10 EFCERN CCOC(=O)CCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960392 1106049906 /nfs/dbraw/zinc/04/99/06/1106049906.db2.gz OSZPYPLKLMHZDH-UHFFFAOYSA-N 0 0 347.459 2.576 10 10 EFCERN CC1(C)CO[C@H](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000897748678 1106070596 /nfs/dbraw/zinc/07/05/96/1106070596.db2.gz ZUTAYEWXTWSOAU-GFCCVEGCSA-N 0 0 342.233 2.976 10 10 EFCERN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897902056 1106139978 /nfs/dbraw/zinc/13/99/78/1106139978.db2.gz ITSLHYLGPMQPOW-SJCJKPOMSA-N 0 0 347.436 2.839 10 10 EFCERN CC[C@@H]1CN(CC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897913442 1106146793 /nfs/dbraw/zinc/14/67/93/1106146793.db2.gz NYBUZFGJVBUJOB-GFCCVEGCSA-N 0 0 334.441 2.869 10 10 EFCERN C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)c2nccn21 ZINC000897913517 1106146883 /nfs/dbraw/zinc/14/68/83/1106146883.db2.gz QAKRLTWFGSYWHM-WCBMZHEXSA-N 0 0 329.381 2.945 10 10 EFCERN CC(=O)c1cn(C2CN(Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000897936003 1106158776 /nfs/dbraw/zinc/15/87/76/1106158776.db2.gz LRARSWFPDSWQDF-UHFFFAOYSA-N 0 0 339.443 2.528 10 10 EFCERN O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC000897979467 1106182371 /nfs/dbraw/zinc/18/23/71/1106182371.db2.gz CEVZBMSROMICIP-ISVAXAHUSA-N 0 0 343.351 2.591 10 10 EFCERN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(O)cc1O ZINC001142533428 1106238305 /nfs/dbraw/zinc/23/83/05/1106238305.db2.gz JVWOANBMYGIELN-UHFFFAOYSA-N 0 0 340.383 2.662 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(O)cc1O)C(=O)c1cccc(F)c1 ZINC001142533230 1106238441 /nfs/dbraw/zinc/23/84/41/1106238441.db2.gz HUOLXIDHOCCSCA-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1coc(-c2c(F)cccc2F)n1 ZINC001142533606 1106239666 /nfs/dbraw/zinc/23/96/66/1106239666.db2.gz MYHWSTPALZMYLT-UHFFFAOYSA-N 0 0 346.289 2.961 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1C[C@H]2CCCC[C@H]21 ZINC001674713458 1106242386 /nfs/dbraw/zinc/24/23/86/1106242386.db2.gz ZARMYFPYUIGQSM-VQIMIIECSA-N 0 0 343.471 2.732 10 10 EFCERN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2O)c1 ZINC001142535610 1106247501 /nfs/dbraw/zinc/24/75/01/1106247501.db2.gz ZNSKOPKMMJXGBU-UHFFFAOYSA-N 0 0 345.351 2.924 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H](SC)C3)CC2)cc1 ZINC001674872806 1106269240 /nfs/dbraw/zinc/26/92/40/1106269240.db2.gz FUZLOGCBZYOXGA-CZIWCDLHSA-N 0 0 349.500 2.811 10 10 EFCERN CC(C)(C)N1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1=O ZINC000898277510 1106301683 /nfs/dbraw/zinc/30/16/83/1106301683.db2.gz OPCSPJQKKKWJLX-CYBMUJFWSA-N 0 0 338.835 2.699 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C)C3)CC2)c(OC)c1 ZINC001676077817 1106480446 /nfs/dbraw/zinc/48/04/46/1106480446.db2.gz HTKMYXSLZRMVHT-CABCVRRESA-N 0 0 347.459 2.724 10 10 EFCERN COc1ccc(N2CCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)cc1F ZINC001676275974 1106510546 /nfs/dbraw/zinc/51/05/46/1106510546.db2.gz KTSPNBWEORDOJA-KUHUBIRLSA-N 0 0 347.434 2.856 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC001676697988 1106560815 /nfs/dbraw/zinc/56/08/15/1106560815.db2.gz HYEJWUYUOBEHQX-BMGDILEWSA-N 0 0 331.460 2.961 10 10 EFCERN O=C(NCc1cc(C(F)F)on1)NCc1cccc(Cl)c1O ZINC001676875463 1106612651 /nfs/dbraw/zinc/61/26/51/1106612651.db2.gz ZVSDGJYIAHCLHF-UHFFFAOYSA-N 0 0 331.706 2.971 10 10 EFCERN [O-]c1c(Br)cccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479801 1107176576 /nfs/dbraw/zinc/17/65/76/1107176576.db2.gz YQWIZNYBZZLPTQ-BVUQATHDSA-N 0 0 326.234 2.748 10 10 EFCERN COc1ccc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000729849698 1107638684 /nfs/dbraw/zinc/63/86/84/1107638684.db2.gz MMUXSGLGNBUMOJ-UHFFFAOYSA-N 0 0 340.383 2.660 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCOc2ccc(F)cc21 ZINC001681387044 1108240282 /nfs/dbraw/zinc/24/02/82/1108240282.db2.gz YIZCEZRCLYVGQK-AWEZNQCLSA-N 0 0 334.322 2.993 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCCc2cc(F)ccc2F)c1 ZINC000176363961 1108410567 /nfs/dbraw/zinc/41/05/67/1108410567.db2.gz RSXWZPCXZPJHDS-UHFFFAOYSA-N 0 0 336.338 2.721 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@H]3CCC3(C)C)CC2)c(OC)c1 ZINC001682224234 1108602870 /nfs/dbraw/zinc/60/28/70/1108602870.db2.gz DKKLOEWWJMNAEG-KRWDZBQOSA-N 0 0 347.459 2.724 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)C2)cc1 ZINC001682645339 1108624222 /nfs/dbraw/zinc/62/42/22/1108624222.db2.gz CZXLYRNMPLCGDH-FLKCQLHMSA-N 0 0 343.471 2.865 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)C2)cc1 ZINC001682645341 1108624416 /nfs/dbraw/zinc/62/44/16/1108624416.db2.gz CZXLYRNMPLCGDH-MUAMBBPCSA-N 0 0 343.471 2.865 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)c2C1 ZINC000843538711 1108782346 /nfs/dbraw/zinc/78/23/46/1108782346.db2.gz JNHDWGLEELCHRY-CQSZACIVSA-N 0 0 338.455 2.778 10 10 EFCERN C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000927131724 1108947405 /nfs/dbraw/zinc/94/74/05/1108947405.db2.gz QMTAMWYKFCSEFG-TVQRCGJNSA-N 0 0 329.322 2.529 10 10 EFCERN O=C(NCC(O)(C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000898785565 1109083719 /nfs/dbraw/zinc/08/37/19/1109083719.db2.gz BCFVHAIMBZRASQ-UHFFFAOYSA-N 0 0 333.409 2.593 10 10 EFCERN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898808034 1109089999 /nfs/dbraw/zinc/08/99/99/1109089999.db2.gz JFYALKGXLSOYSZ-MWLCHTKSSA-N 0 0 349.408 2.726 10 10 EFCERN Cc1cc(C(=O)NCC(C)(C)n2ccnc2)c(C)n1-c1ccccn1 ZINC000898901945 1109124252 /nfs/dbraw/zinc/12/42/52/1109124252.db2.gz QDUOTCXUPNHNIN-UHFFFAOYSA-N 0 0 337.427 2.851 10 10 EFCERN COCC1(C2CC2)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899162663 1109228054 /nfs/dbraw/zinc/22/80/54/1109228054.db2.gz GZGRUHCGOWFDST-UHFFFAOYSA-N 0 0 333.409 2.811 10 10 EFCERN COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899208581 1109247576 /nfs/dbraw/zinc/24/75/76/1109247576.db2.gz AZNLJFUQCGNQCH-JTQLQIEISA-N 0 0 337.397 2.630 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(C(F)F)CC3)CC2)cc1F ZINC000843818203 1109461811 /nfs/dbraw/zinc/46/18/11/1109461811.db2.gz MJDSDPYQIVKQPN-UHFFFAOYSA-N 0 0 328.334 2.528 10 10 EFCERN CCC(C)(C)NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914613899 1111291069 /nfs/dbraw/zinc/29/10/69/1111291069.db2.gz VWJFAGUANDGIRT-UHFFFAOYSA-N 0 0 343.427 2.951 10 10 EFCERN CN(C)c1ccc(CNCc2ncn(Cc3cccc(F)c3)n2)cc1 ZINC000780588025 1111735639 /nfs/dbraw/zinc/73/56/39/1111735639.db2.gz BPUDLLABCUIVMH-UHFFFAOYSA-N 0 0 339.418 2.821 10 10 EFCERN CCO[C@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000920337737 1112338254 /nfs/dbraw/zinc/33/82/54/1112338254.db2.gz YHWKJIPVVIGOHX-LEJCZOIISA-N 0 0 334.372 2.786 10 10 EFCERN Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)cccc1N(C)C ZINC000180142816 1112878617 /nfs/dbraw/zinc/87/86/17/1112878617.db2.gz FCYDMOOCPISENZ-UHFFFAOYSA-N 0 0 329.400 2.836 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOCC1 ZINC000784855922 1118787919 /nfs/dbraw/zinc/78/79/19/1118787919.db2.gz SZDQIZRCEUKERA-INIZCTEOSA-N 0 0 334.485 2.673 10 10 EFCERN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000784855693 1118788389 /nfs/dbraw/zinc/78/83/89/1118788389.db2.gz OUIGMCLNHDREQK-INIZCTEOSA-N 0 0 334.485 2.814 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1csc(C(F)(F)F)n1 ZINC000189520243 1119613218 /nfs/dbraw/zinc/61/32/18/1119613218.db2.gz KYQYOANNVWAXCV-UHFFFAOYSA-N 0 0 332.303 2.546 10 10 EFCERN CC[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000097653827 219044199 /nfs/dbraw/zinc/04/41/99/219044199.db2.gz HWSFPUZXMLYGDI-QGZVFWFLSA-N 0 0 345.487 2.608 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000174587631 529780618 /nfs/dbraw/zinc/78/06/18/529780618.db2.gz YWDORJMGGOUAOF-UHFFFAOYSA-N 0 0 346.862 2.549 10 10 EFCERN CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(C(F)(F)F)cc1 ZINC000102677600 219221451 /nfs/dbraw/zinc/22/14/51/219221451.db2.gz AKOQTAWMFITBNX-XYOKQWHBSA-N 0 0 340.301 2.968 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279401933 290850997 /nfs/dbraw/zinc/85/09/97/290850997.db2.gz IRCBOAKOVSYHIJ-LRGSNQRWSA-N 0 0 348.399 2.911 10 10 EFCERN COC(=O)CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000040888221 213396853 /nfs/dbraw/zinc/39/68/53/213396853.db2.gz BWNCDGYKTOIJNR-XFXZXTDPSA-N 0 0 337.422 2.547 10 10 EFCERN Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1O ZINC000177675580 239388514 /nfs/dbraw/zinc/38/85/14/239388514.db2.gz VWRKXMAFZKQTSQ-UHFFFAOYSA-N 0 0 326.396 2.805 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(C)n1-c1ccccn1 ZINC000178328822 239407035 /nfs/dbraw/zinc/40/70/35/239407035.db2.gz WEEGEXLSJKPWSM-QUCCMNQESA-N 0 0 347.418 2.877 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187943809 239743029 /nfs/dbraw/zinc/74/30/29/239743029.db2.gz DWUNFNNPSDOEDN-QGPMSJSTSA-N 0 0 330.428 2.638 10 10 EFCERN Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932196 240187963 /nfs/dbraw/zinc/18/79/63/240187963.db2.gz FLJYYGGNAWFYPO-AWEZNQCLSA-N 0 0 330.432 2.838 10 10 EFCERN Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000238000879 240249171 /nfs/dbraw/zinc/24/91/71/240249171.db2.gz SPKNAMJMNPMIQK-OAHLLOKOSA-N 0 0 329.425 2.503 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246514886 240268485 /nfs/dbraw/zinc/26/84/85/240268485.db2.gz KPJVURMBFDBUAO-USXIJHARSA-N 0 0 330.428 2.881 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246514875 240268555 /nfs/dbraw/zinc/26/85/55/240268555.db2.gz KPJVURMBFDBUAO-DJIMGWMZSA-N 0 0 330.428 2.881 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000269297001 240569010 /nfs/dbraw/zinc/56/90/10/240569010.db2.gz AVWKAGGPDJNUON-ZDUSSCGKSA-N 0 0 338.429 2.835 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000273485474 240703254 /nfs/dbraw/zinc/70/32/54/240703254.db2.gz RJKQGWCUTXQDGS-IRXDYDNUSA-N 0 0 333.476 2.691 10 10 EFCERN O=C(CO[C@H]1CCCc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000280861581 240894324 /nfs/dbraw/zinc/89/43/24/240894324.db2.gz SCFKKYWQLBPIEY-IBGZPJMESA-N 0 0 341.407 2.851 10 10 EFCERN Cc1cc(C(=O)NCc2ncnn2C(C)C)c(C)n1-c1ccccn1 ZINC000281274755 240924242 /nfs/dbraw/zinc/92/42/42/240924242.db2.gz WMBAXQZWHYMOJS-UHFFFAOYSA-N 0 0 338.415 2.592 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000294125103 241034257 /nfs/dbraw/zinc/03/42/57/241034257.db2.gz GRHKBCBGVRKNNR-LBPRGKRZSA-N 0 0 336.798 2.733 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC3(CCC(O)CC3)CC2)cc1 ZINC000296274396 241080888 /nfs/dbraw/zinc/08/08/88/241080888.db2.gz MLIBZHTVTSQISY-UHFFFAOYSA-N 0 0 345.487 2.979 10 10 EFCERN Cc1cccnc1CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000296822007 241101584 /nfs/dbraw/zinc/10/15/84/241101584.db2.gz SBSJXHSRJRPXHZ-UHFFFAOYSA-N 0 0 338.455 2.814 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]3COC)ccc21 ZINC000294396195 241043443 /nfs/dbraw/zinc/04/34/43/241043443.db2.gz QEOQLZHUEVIOCW-MRXNPFEDSA-N 0 0 330.428 2.765 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000294733315 241049071 /nfs/dbraw/zinc/04/90/71/241049071.db2.gz QEMSSBJWRJADRX-ZDUSSCGKSA-N 0 0 342.842 2.729 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000294733307 241050325 /nfs/dbraw/zinc/05/03/25/241050325.db2.gz QEMSSBJWRJADRX-CYBMUJFWSA-N 0 0 342.842 2.729 10 10 EFCERN CN(CCCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301699289 241188387 /nfs/dbraw/zinc/18/83/87/241188387.db2.gz RLPGPUZCWBOXOH-UHFFFAOYSA-N 0 0 341.367 2.995 10 10 EFCERN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nnc1C ZINC000302358735 241193285 /nfs/dbraw/zinc/19/32/85/241193285.db2.gz ZOQQLUZBGGEBOH-UHFFFAOYSA-N 0 0 330.407 2.806 10 10 EFCERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(N(C)C)cc1 ZINC000302452785 241194941 /nfs/dbraw/zinc/19/49/41/241194941.db2.gz UBRLLWVZCBJWQP-LLVKDONJSA-N 0 0 326.360 2.877 10 10 EFCERN CCOc1cccc(CN[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000324386476 241206488 /nfs/dbraw/zinc/20/64/88/241206488.db2.gz OUAJOVIEGZXFQE-CYBMUJFWSA-N 0 0 330.432 2.960 10 10 EFCERN O=C(NC1=N[C@H](c2ccccc2Cl)CC(=O)N1)c1cccs1 ZINC000020924954 283914404 /nfs/dbraw/zinc/91/44/04/283914404.db2.gz NPAPTQSUSDKHLD-NSHDSACASA-N 0 0 333.800 2.749 10 10 EFCERN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784024 212248323 /nfs/dbraw/zinc/24/83/23/212248323.db2.gz MTHJHMCYZUHYET-SECBINFHSA-N 0 0 347.396 2.570 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000362037919 242240115 /nfs/dbraw/zinc/24/01/15/242240115.db2.gz JYRCWUSGYMRRME-UHFFFAOYSA-N 0 0 332.835 2.963 10 10 EFCERN Cc1cn2c(n1)CN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CC2 ZINC000363717428 242282610 /nfs/dbraw/zinc/28/26/10/242282610.db2.gz FXXGIFGDYNTSOX-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN Cc1nn(C)c(N2CC=C(c3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000367359509 242378467 /nfs/dbraw/zinc/37/84/67/242378467.db2.gz YNKFSSXWORDCJM-UHFFFAOYSA-N 0 0 333.779 2.979 10 10 EFCERN C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191203859 296115192 /nfs/dbraw/zinc/11/51/92/296115192.db2.gz OXJKQVVDMHFHPT-LLVKDONJSA-N 0 0 334.370 2.780 10 10 EFCERN O=C(NC1=N[C@@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccccc1 ZINC000020530699 212143854 /nfs/dbraw/zinc/14/38/54/212143854.db2.gz JCTUSYXJOTWCSM-CQSZACIVSA-N 0 0 327.771 2.687 10 10 EFCERN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000185407724 296159706 /nfs/dbraw/zinc/15/97/06/296159706.db2.gz MNJRRBWEMVQRAB-CXAGYDPISA-N 0 0 330.403 2.881 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000186987060 296253911 /nfs/dbraw/zinc/25/39/11/296253911.db2.gz IOIXTOCBKRWPJZ-HNNXBMFYSA-N 0 0 333.771 2.965 10 10 EFCERN Cc1c(S(=O)(=O)c2ccccc2Cl)nnn1-c1ccc(N)cc1 ZINC000011730772 211242170 /nfs/dbraw/zinc/24/21/70/211242170.db2.gz BUFSZWOTWQVRCP-UHFFFAOYSA-N 0 0 348.815 2.644 10 10 EFCERN Cc1ccc(-c2cnc(SCC(=O)NC[C@H]3CCCO3)n2C)cc1 ZINC000010347550 211167159 /nfs/dbraw/zinc/16/71/59/211167159.db2.gz IVYFGEUFLVPLPF-OAHLLOKOSA-N 0 0 345.468 2.783 10 10 EFCERN CN(C)c1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000010165728 211152041 /nfs/dbraw/zinc/15/20/41/211152041.db2.gz RASDOJFLBCBNJF-UHFFFAOYSA-N 0 0 340.423 2.773 10 10 EFCERN CO[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444371563 250293926 /nfs/dbraw/zinc/29/39/26/250293926.db2.gz MKYOXIIRDUUMNX-OAHLLOKOSA-N 0 0 343.471 2.559 10 10 EFCERN COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000170717792 533061464 /nfs/dbraw/zinc/06/14/64/533061464.db2.gz VSBLPKYAUUQZAM-SFHVURJKSA-N 0 0 327.428 2.940 10 10 EFCERN C[C@@H](NC(=O)c1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 ZINC000097235689 219001771 /nfs/dbraw/zinc/00/17/71/219001771.db2.gz BMKJAHCSZAQHKP-CYBMUJFWSA-N 0 0 337.379 2.834 10 10 EFCERN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)n1c2ccccc2oc1=O ZINC000012534874 258054478 /nfs/dbraw/zinc/05/44/78/258054478.db2.gz KDHWDKCEIXDERL-CYBMUJFWSA-N 0 0 339.395 2.538 10 10 EFCERN COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC ZINC000000084462 286297800 /nfs/dbraw/zinc/29/78/00/286297800.db2.gz RCOJTPPNSMYMDV-UHFFFAOYSA-N 0 0 326.732 2.577 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185994479 278376250 /nfs/dbraw/zinc/37/62/50/278376250.db2.gz YMOHREVMVNYYDB-RKDXNWHRSA-N 0 0 327.215 2.956 10 10 EFCERN CC[C@]1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000302709036 281322943 /nfs/dbraw/zinc/32/29/43/281322943.db2.gz ZBAWFNWSFQTNAK-DBWMJRBXSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1c([O-])cc(F)cc1F ZINC000095939115 289955294 /nfs/dbraw/zinc/95/52/94/289955294.db2.gz CXCQZQPSKLONPX-UPJWGTAASA-N 0 0 328.403 2.820 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3cccnc3)cc2N1 ZINC000370537198 304643148 /nfs/dbraw/zinc/64/31/48/304643148.db2.gz BMXSYJCVTQQJGZ-ZDUSSCGKSA-N 0 0 340.339 2.662 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000124701902 473288485 /nfs/dbraw/zinc/28/84/85/473288485.db2.gz CNCLCOGZKNLVQO-CYBMUJFWSA-N 0 0 329.448 2.557 10 10 EFCERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000125195842 473372048 /nfs/dbraw/zinc/37/20/48/473372048.db2.gz YISZCJZKVMLJDJ-BBRMVZONSA-N 0 0 329.448 2.676 10 10 EFCERN CCc1nnc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)s1 ZINC000096298381 473372156 /nfs/dbraw/zinc/37/21/56/473372156.db2.gz ZXVXAAUAYVYJMQ-YVMONPNESA-N 0 0 344.440 2.589 10 10 EFCERN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185263207 473380189 /nfs/dbraw/zinc/38/01/89/473380189.db2.gz ACHSRJLQSBNXED-GFCCVEGCSA-N 0 0 337.416 2.927 10 10 EFCERN CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] ZINC000005743416 471518083 /nfs/dbraw/zinc/51/80/83/471518083.db2.gz YVWABAIMCMHTBR-BUCHIQEDSA-N 0 0 332.320 2.830 10 10 EFCERN CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886346 471644784 /nfs/dbraw/zinc/64/47/84/471644784.db2.gz IVDQYWCICRLNDV-LJQANCHMSA-N 0 0 337.423 2.844 10 10 EFCERN COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(O)c1O ZINC000007886258 471645052 /nfs/dbraw/zinc/64/50/52/471645052.db2.gz NZGVATUQIZNKNF-KRWDZBQOSA-N 0 0 326.352 2.835 10 10 EFCERN CC(=O)N[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000008170985 471669136 /nfs/dbraw/zinc/66/91/36/471669136.db2.gz WNBYEJVKILQSNR-LJQANCHMSA-N 0 0 339.439 2.636 10 10 EFCERN O=C(NC1=N[C@@H](c2ccccc2Cl)CC(=O)N1)c1cccc(F)c1 ZINC000020530808 471991594 /nfs/dbraw/zinc/99/15/94/471991594.db2.gz FMTAJVNMYFPGKL-CQSZACIVSA-N 0 0 345.761 2.826 10 10 EFCERN O=C(NC1=N[C@@H](c2ccccc2Cl)CC(=O)N1)c1cccs1 ZINC000020924959 471994249 /nfs/dbraw/zinc/99/42/49/471994249.db2.gz NPAPTQSUSDKHLD-LLVKDONJSA-N 0 0 333.800 2.749 10 10 EFCERN CCCCc1nc(CN2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000053602576 472023467 /nfs/dbraw/zinc/02/34/67/472023467.db2.gz HLRNOSMJXORPOZ-UHFFFAOYSA-N 0 0 330.432 2.743 10 10 EFCERN CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1[N+](=O)[O-] ZINC000024098564 472046474 /nfs/dbraw/zinc/04/64/74/472046474.db2.gz UMXAQEREVQFPGR-MRXNPFEDSA-N 0 0 326.356 2.539 10 10 EFCERN COc1ccc2c(c1OC)C(=O)N(C)[C@@H]2c1ccc(N(C)C)cc1 ZINC000027515331 472179198 /nfs/dbraw/zinc/17/91/98/472179198.db2.gz SIQJCMVLDAAWRI-QGZVFWFLSA-N 0 0 326.396 2.945 10 10 EFCERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000075978439 472232484 /nfs/dbraw/zinc/23/24/84/472232484.db2.gz CQAZAGTUXDXCJQ-NFFDBFGFSA-N 0 0 335.423 2.647 10 10 EFCERN Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1-c1cccc(C)c1 ZINC000069451577 472345630 /nfs/dbraw/zinc/34/56/30/472345630.db2.gz FRKFNYMZGQKNTQ-UHFFFAOYSA-N 0 0 349.438 2.958 10 10 EFCERN CCN(C(=O)CN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000069596387 472377266 /nfs/dbraw/zinc/37/72/66/472377266.db2.gz SEBHTVVDROTHPO-UHFFFAOYSA-N 0 0 328.412 2.998 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3cn4ccsc4n3)ccc21 ZINC000058282889 472535836 /nfs/dbraw/zinc/53/58/36/472535836.db2.gz GWGSHNUSCDOVLL-UHFFFAOYSA-N 0 0 340.452 2.637 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)COCc1ccccc1 ZINC000119430455 472556279 /nfs/dbraw/zinc/55/62/79/472556279.db2.gz NLRFGMNWMOVPCN-GOSISDBHSA-N 0 0 342.439 2.529 10 10 EFCERN COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1F ZINC000090369602 472612006 /nfs/dbraw/zinc/61/20/06/472612006.db2.gz LADHYXZTNKXBPQ-UHFFFAOYSA-N 0 0 344.386 2.601 10 10 EFCERN COc1ccc(N2CCN(c3ncncc3Br)CC2)cc1 ZINC000090781313 472656116 /nfs/dbraw/zinc/65/61/16/472656116.db2.gz KGOSAXFNSANNQC-UHFFFAOYSA-N 0 0 349.232 2.574 10 10 EFCERN CCC1(O)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000078453269 472716276 /nfs/dbraw/zinc/71/62/76/472716276.db2.gz XYLXRXDXXZTOSF-FNORWQNLSA-N 0 0 334.372 2.522 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000156737277 472746426 /nfs/dbraw/zinc/74/64/26/472746426.db2.gz APQXTCMTYNJTGI-QWHCGFSZSA-N 0 0 333.334 2.838 10 10 EFCERN COc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1F ZINC000133635423 472826010 /nfs/dbraw/zinc/82/60/10/472826010.db2.gz GYWQLMNDYVBUFL-UHFFFAOYSA-N 0 0 328.391 2.828 10 10 EFCERN COc1cccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1O ZINC000092094841 472856133 /nfs/dbraw/zinc/85/61/33/472856133.db2.gz GXSJFVLJGLHHHU-XJKSGUPXSA-N 0 0 335.350 2.987 10 10 EFCERN CN(C)c1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1F ZINC000121692402 472893489 /nfs/dbraw/zinc/89/34/89/472893489.db2.gz HBDGSLIYALDEDT-IBGZPJMESA-N 0 0 341.430 2.955 10 10 EFCERN COc1ccc(N2CCN(Cc3cn4cc(F)ccc4n3)CC2)cc1 ZINC000065239661 472911283 /nfs/dbraw/zinc/91/12/83/472911283.db2.gz LFYLQAMPWGMEOT-UHFFFAOYSA-N 0 0 340.402 2.804 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1F ZINC000074163098 472953268 /nfs/dbraw/zinc/95/32/68/472953268.db2.gz ZQEGJQTYPCOXIW-WMLDXEAASA-N 0 0 337.439 2.632 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000122213399 472988886 /nfs/dbraw/zinc/98/88/86/472988886.db2.gz YFDIWNMDIUIBKC-KRWDZBQOSA-N 0 0 346.450 2.769 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc4nccnc43)CC2)cc1 ZINC000074732992 473054225 /nfs/dbraw/zinc/05/42/25/473054225.db2.gz BZYLIQDREUWDOV-UHFFFAOYSA-N 0 0 348.406 2.601 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000074892802 473088772 /nfs/dbraw/zinc/08/87/72/473088772.db2.gz NVPRLDFUNYZRLF-JKSUJKDBSA-N 0 0 344.415 2.580 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000074892796 473089297 /nfs/dbraw/zinc/08/92/97/473089297.db2.gz NVPRLDFUNYZRLF-HZPDHXFCSA-N 0 0 344.415 2.580 10 10 EFCERN CC(C)c1nnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1C ZINC000111232879 473197853 /nfs/dbraw/zinc/19/78/53/473197853.db2.gz KZAKNMRZPPRMFK-MRXNPFEDSA-N 0 0 344.459 2.825 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2ccc(C)nc12 ZINC000114320747 473451378 /nfs/dbraw/zinc/45/13/78/473451378.db2.gz HADKDUHHFNQZDQ-UHFFFAOYSA-N 0 0 337.427 2.766 10 10 EFCERN c1ccc(OCc2n[nH]c(CNCc3ccc4c(c3)CCO4)n2)cc1 ZINC000185759083 473506992 /nfs/dbraw/zinc/50/69/92/473506992.db2.gz BJSBSGZGHACXIJ-UHFFFAOYSA-N 0 0 336.395 2.608 10 10 EFCERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000185992393 473566856 /nfs/dbraw/zinc/56/68/56/473566856.db2.gz VDASFGCHVKLJRM-TZMCWYRMSA-N 0 0 345.422 2.683 10 10 EFCERN CCN(CCc1nccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000152725346 473591656 /nfs/dbraw/zinc/59/16/56/473591656.db2.gz OCXGHKYAZMHXJD-UHFFFAOYSA-N 0 0 332.473 2.983 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1cnc(N2CCOCC2)s1 ZINC000127705797 473642605 /nfs/dbraw/zinc/64/26/05/473642605.db2.gz NETROGOSDGJVIP-UHFFFAOYSA-N 0 0 331.441 2.551 10 10 EFCERN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000127769306 473648356 /nfs/dbraw/zinc/64/83/56/473648356.db2.gz HRHPXCWGZKXENZ-YJBOKZPZSA-N 0 0 341.459 2.742 10 10 EFCERN Cc1cc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)no1 ZINC000127985223 473669678 /nfs/dbraw/zinc/66/96/78/473669678.db2.gz IBZSVAGPYYMTPQ-UHFFFAOYSA-N 0 0 326.400 2.701 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000179484372 473690052 /nfs/dbraw/zinc/69/00/52/473690052.db2.gz PGGYWPNJGKTPDG-AWEZNQCLSA-N 0 0 329.400 2.734 10 10 EFCERN Cc1cc(Cl)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000179710839 473712273 /nfs/dbraw/zinc/71/22/73/473712273.db2.gz HHYLTSZVJZUSOX-AWEZNQCLSA-N 0 0 329.849 2.506 10 10 EFCERN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000180079256 473793171 /nfs/dbraw/zinc/79/31/71/473793171.db2.gz OYSLDUJKLSUNAF-CQSZACIVSA-N 0 0 332.835 2.936 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118105 473804194 /nfs/dbraw/zinc/80/41/94/473804194.db2.gz AITQRKYRVMSJLX-KRWDZBQOSA-N 0 0 329.448 2.533 10 10 EFCERN CC(=O)C(=O)COc1ccccc1C(=O)NCCCc1ccccc1 ZINC000288024529 473827163 /nfs/dbraw/zinc/82/71/63/473827163.db2.gz ADGXACYRBZHWRL-UHFFFAOYSA-N 0 0 339.391 2.586 10 10 EFCERN Cc1cc(Cl)cc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180245555 473836630 /nfs/dbraw/zinc/83/66/30/473836630.db2.gz JARMJBFQKQTXFZ-LLVKDONJSA-N 0 0 331.865 2.752 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187403742 473868536 /nfs/dbraw/zinc/86/85/36/473868536.db2.gz GSMWWOSEEODFGI-KURKYZTESA-N 0 0 329.444 2.654 10 10 EFCERN COc1ccc(F)cc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000187702054 473906304 /nfs/dbraw/zinc/90/63/04/473906304.db2.gz PGHNCQVMIIUGPJ-UHFFFAOYSA-N 0 0 331.391 2.900 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccnn3C)ccc21 ZINC000264194627 473955094 /nfs/dbraw/zinc/95/50/94/473955094.db2.gz QXKZKLZOHGHIGD-UHFFFAOYSA-N 0 0 340.427 2.568 10 10 EFCERN CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000282338897 474028205 /nfs/dbraw/zinc/02/82/05/474028205.db2.gz BSMGDLFCLSOZGP-CQSZACIVSA-N 0 0 328.416 2.812 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(OC)OC)ccc21 ZINC000288834959 474066218 /nfs/dbraw/zinc/06/62/18/474066218.db2.gz INSKAJXAXHWYRH-CYBMUJFWSA-N 0 0 348.443 2.642 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc(O)c3)CC2)cc1F ZINC000182583481 474210218 /nfs/dbraw/zinc/21/02/18/474210218.db2.gz XVDPHKAYADDGLO-UHFFFAOYSA-N 0 0 330.359 2.502 10 10 EFCERN COCc1nc(CN2CCCc3cc(OC(F)F)ccc32)no1 ZINC000182583997 474210684 /nfs/dbraw/zinc/21/06/84/474210684.db2.gz ZJXIKTOBXGIVQN-UHFFFAOYSA-N 0 0 325.315 2.770 10 10 EFCERN CC(C)n1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000265469642 474227280 /nfs/dbraw/zinc/22/72/80/474227280.db2.gz YJBLVNOTCJLSKS-UHFFFAOYSA-N 0 0 328.460 2.933 10 10 EFCERN CC(C)c1n[nH]cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000188900297 474228774 /nfs/dbraw/zinc/22/87/74/474228774.db2.gz GNMCBTPWXGNGSO-UHFFFAOYSA-N 0 0 342.443 2.642 10 10 EFCERN COc1nnc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000282889645 474231663 /nfs/dbraw/zinc/23/16/63/474231663.db2.gz SQJLNFAHLGPWAB-UHFFFAOYSA-N 0 0 347.444 2.809 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282973931 474260738 /nfs/dbraw/zinc/26/07/38/474260738.db2.gz IWFHJHBQPBQODA-XJKSGUPXSA-N 0 0 325.836 2.703 10 10 EFCERN Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(O)c1O ZINC000182972804 474299514 /nfs/dbraw/zinc/29/95/14/474299514.db2.gz OQWCZFGJEPHZAF-XHDPSFHLSA-N 0 0 349.333 2.633 10 10 EFCERN COc1cccc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)c1O ZINC000183217528 474352071 /nfs/dbraw/zinc/35/20/71/474352071.db2.gz CJJLDPWLCXFKKG-MRXNPFEDSA-N 0 0 346.814 2.727 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1O ZINC000183467025 474383179 /nfs/dbraw/zinc/38/31/79/474383179.db2.gz XMFFYMNEBAWLNR-UHFFFAOYSA-N 0 0 334.803 2.905 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1COC(=O)N1 ZINC000283442944 474405101 /nfs/dbraw/zinc/40/51/01/474405101.db2.gz NJRHLTWUWGQTOW-XJKSGUPXSA-N 0 0 340.379 2.590 10 10 EFCERN Cc1cc(CO)oc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283560954 474436278 /nfs/dbraw/zinc/43/62/78/474436278.db2.gz VRNKUOGHQXBBQO-OAHLLOKOSA-N 0 0 345.395 2.607 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(CCF)CC1 ZINC000289834209 474448047 /nfs/dbraw/zinc/44/80/47/474448047.db2.gz MVZRZTXFXIJVOV-UHFFFAOYSA-N 0 0 334.435 2.651 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CSC1(C)C ZINC000283613212 474449935 /nfs/dbraw/zinc/44/99/35/474449935.db2.gz NXQIXROLRPIUED-INIZCTEOSA-N 0 0 349.500 2.559 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)NCCCN1CCOC1=O ZINC000283711861 474477214 /nfs/dbraw/zinc/47/72/14/474477214.db2.gz SYFNREGDOCGSOQ-UHFFFAOYSA-N 0 0 349.431 2.546 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000271334062 474496934 /nfs/dbraw/zinc/49/69/34/474496934.db2.gz NLYCLTUULVDOQB-QAPCUYQASA-N 0 0 348.418 2.809 10 10 EFCERN Oc1cccc(Cl)c1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000271379806 474517213 /nfs/dbraw/zinc/51/72/13/474517213.db2.gz RGYKQEQXWAISSP-MLGOLLRUSA-N 0 0 337.803 2.963 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N(C)CCCCO)cc2)CC1 ZINC000276378988 474517918 /nfs/dbraw/zinc/51/79/18/474517918.db2.gz CNQRLHYWOQMDAI-UHFFFAOYSA-N 0 0 333.476 2.837 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420715 474539087 /nfs/dbraw/zinc/53/90/87/474539087.db2.gz ZEGZERWWGFGIEA-ZWKOTPCHSA-N 0 0 330.428 2.670 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)CCCCO)cc1F ZINC000276438198 474543632 /nfs/dbraw/zinc/54/36/32/474543632.db2.gz KFVYHYMINPJUDU-UHFFFAOYSA-N 0 0 325.428 2.586 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000290176566 474560060 /nfs/dbraw/zinc/56/00/60/474560060.db2.gz FAXOUFZSRIMJJO-JCGVRSQUSA-N 0 0 329.396 2.952 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H]2COc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000290245995 474563166 /nfs/dbraw/zinc/56/31/66/474563166.db2.gz VGOXOILVVKPSKO-CYBMUJFWSA-N 0 0 348.330 2.541 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000290245997 474563376 /nfs/dbraw/zinc/56/33/76/474563376.db2.gz VGOXOILVVKPSKO-ZDUSSCGKSA-N 0 0 348.330 2.541 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000184670697 474579237 /nfs/dbraw/zinc/57/92/37/474579237.db2.gz ICXPDPVRZFVUAP-GFCCVEGCSA-N 0 0 336.823 2.558 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000291031576 474591059 /nfs/dbraw/zinc/59/10/59/474591059.db2.gz XFKBPLNWOHMKFD-HNNXBMFYSA-N 0 0 330.359 2.676 10 10 EFCERN C[C@@H]1COCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000277624097 474591848 /nfs/dbraw/zinc/59/18/48/474591848.db2.gz IUBTWEGYSLLIGC-OIISXLGYSA-N 0 0 348.443 2.508 10 10 EFCERN COc1c([O-])c(C[N@H+](C)CCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278253320 474605222 /nfs/dbraw/zinc/60/52/22/474605222.db2.gz PMJJSALZSVNOPD-UHFFFAOYSA-N 0 0 337.401 2.748 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-n2ccnc2)ccn1 ZINC000272357800 474607955 /nfs/dbraw/zinc/60/79/55/474607955.db2.gz YWIXBZVWJDDCNH-UHFFFAOYSA-N 0 0 347.422 2.798 10 10 EFCERN CC[C@H]1C[C@@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272868370 474629276 /nfs/dbraw/zinc/62/92/76/474629276.db2.gz GDKBDBVUIHYZLG-WMZOPIPTSA-N 0 0 346.471 2.939 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1ncn2C1CC1 ZINC000292892045 474699028 /nfs/dbraw/zinc/69/90/28/474699028.db2.gz ZZPCGFOOJZURAJ-JTQLQIEISA-N 0 0 325.372 2.616 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555754 474700394 /nfs/dbraw/zinc/70/03/94/474700394.db2.gz AOHFAVDISHUWFG-WFASDCNBSA-N 0 0 346.387 2.589 10 10 EFCERN Cc1cc(Cl)cc(CN2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000278589829 474724308 /nfs/dbraw/zinc/72/43/08/474724308.db2.gz DTRLMKMQPNUXOQ-AWEZNQCLSA-N 0 0 331.865 2.753 10 10 EFCERN Cc1nc(C2CC2)oc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000273602718 474983977 /nfs/dbraw/zinc/98/39/77/474983977.db2.gz MEFJSONJYHYAGG-UHFFFAOYSA-N 0 0 327.384 2.966 10 10 EFCERN COC(=O)[C@@H](CC(C)C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285369708 474993017 /nfs/dbraw/zinc/99/30/17/474993017.db2.gz ARYJRFNCLLYJTE-GOSISDBHSA-N 0 0 334.460 2.543 10 10 EFCERN Cc1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)c(O)c1O ZINC000293736020 475050494 /nfs/dbraw/zinc/05/04/94/475050494.db2.gz IJXOTDJBIZRCLV-UHFFFAOYSA-N 0 0 340.301 2.793 10 10 EFCERN COc1ccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1C ZINC000293892296 475055783 /nfs/dbraw/zinc/05/57/83/475055783.db2.gz KKZFXDHPBIHMDS-KXBFYZLASA-N 0 0 343.423 2.586 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000293932322 475059564 /nfs/dbraw/zinc/05/95/64/475059564.db2.gz HKXNVIMNCRYKQY-MRXNPFEDSA-N 0 0 343.826 2.842 10 10 EFCERN COc1cccc([C@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913148 475067518 /nfs/dbraw/zinc/06/75/18/475067518.db2.gz ZMCQBWXJKHYIGZ-LJQANCHMSA-N 0 0 343.379 2.703 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000294768769 475080882 /nfs/dbraw/zinc/08/08/82/475080882.db2.gz QTQFHAIQEMCJHK-AEFFLSMTSA-N 0 0 334.460 2.543 10 10 EFCERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000294941512 475094126 /nfs/dbraw/zinc/09/41/26/475094126.db2.gz LLJUJNHWDZRGCT-MEBBXXQBSA-N 0 0 349.333 2.978 10 10 EFCERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000295230939 475112627 /nfs/dbraw/zinc/11/26/27/475112627.db2.gz CXBROFLGDWEWGE-AAEUAGOBSA-N 0 0 342.233 2.976 10 10 EFCERN COc1cc(NS(=O)(=O)C[C@@H](OC)c2ccccc2)ccc1O ZINC000295225963 475113175 /nfs/dbraw/zinc/11/31/75/475113175.db2.gz RYEPZXRQZLGSJQ-MRXNPFEDSA-N 0 0 337.397 2.530 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000295289302 475118196 /nfs/dbraw/zinc/11/81/96/475118196.db2.gz LGBSORHTPLAFQB-CQSZACIVSA-N 0 0 346.443 2.950 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000295295767 475118923 /nfs/dbraw/zinc/11/89/23/475118923.db2.gz JLJLKPGETUUUAF-UHFFFAOYSA-N 0 0 345.720 2.558 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncc(Cl)c1 ZINC000295320705 475121002 /nfs/dbraw/zinc/12/10/02/475121002.db2.gz ZBPQQFIACXUOMT-UHFFFAOYSA-N 0 0 345.830 2.844 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757739 475185740 /nfs/dbraw/zinc/18/57/40/475185740.db2.gz JEQDKCNLAZMGJU-SMDDNHRTSA-N 0 0 328.315 2.786 10 10 EFCERN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccoc1CC(N)=O ZINC000355029100 475608230 /nfs/dbraw/zinc/60/82/30/475608230.db2.gz GZMWDRCYLODANH-UHFFFAOYSA-N 0 0 342.395 2.644 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4cccc(F)c4C3)cc2N1 ZINC000301973805 476184034 /nfs/dbraw/zinc/18/40/34/476184034.db2.gz VCMKYXUNFDVGDY-UHFFFAOYSA-N 0 0 343.314 2.628 10 10 EFCERN CN(C)c1ccc(CN2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000373230721 476387479 /nfs/dbraw/zinc/38/74/79/476387479.db2.gz OANTZUKNHCDKSC-UHFFFAOYSA-N 0 0 339.468 2.898 10 10 EFCERN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373587215 476416330 /nfs/dbraw/zinc/41/63/30/476416330.db2.gz WFLMQHTULHOZPY-ZIAGYGMSSA-N 0 0 327.808 2.588 10 10 EFCERN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)CCO3)c(O)c1 ZINC000373851980 476434761 /nfs/dbraw/zinc/43/47/61/476434761.db2.gz FSZIAQVVQTXZCS-UHFFFAOYSA-N 0 0 343.383 2.551 10 10 EFCERN CN(C)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1F ZINC000369681737 476475599 /nfs/dbraw/zinc/47/55/99/476475599.db2.gz PKRIVFLXUQOOLK-UHFFFAOYSA-N 0 0 330.407 2.725 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374723881 476503690 /nfs/dbraw/zinc/50/36/90/476503690.db2.gz QZXOQTULCWGQDE-ZBEGNZNMSA-N 0 0 343.826 2.842 10 10 EFCERN Cc1nc([C@H]2CCCCCN2C(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000374829049 476547131 /nfs/dbraw/zinc/54/71/31/476547131.db2.gz RUKPXZMLKLEKOB-RCQQVGEISA-N 0 0 343.383 2.946 10 10 EFCERN CCOC(=O)C1(COC)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000370119337 476673437 /nfs/dbraw/zinc/67/34/37/476673437.db2.gz GCYBCKNRHWLUIP-UHFFFAOYSA-N 0 0 341.835 2.837 10 10 EFCERN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(c2cnccn2)CC1 ZINC000378561063 476720926 /nfs/dbraw/zinc/72/09/26/476720926.db2.gz TWJUVKUXURDONQ-UHFFFAOYSA-N 0 0 332.835 2.936 10 10 EFCERN CC(C)n1ncc2c1C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000371680958 477440033 /nfs/dbraw/zinc/44/00/33/477440033.db2.gz MZPOIMPDWHODPU-LWUPOJRFSA-N 0 0 341.411 2.562 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3nccn3C)ccc21 ZINC000412724479 477452526 /nfs/dbraw/zinc/45/25/26/477452526.db2.gz FQTHQXPXZDSFKK-UHFFFAOYSA-N 0 0 326.400 2.890 10 10 EFCERN COc1cc(O)c(CNc2cn(C)nc2-c2ccccn2)cc1OC ZINC000371804083 477503164 /nfs/dbraw/zinc/50/31/64/477503164.db2.gz UNOZOHDPMQDAEM-UHFFFAOYSA-N 0 0 340.383 2.817 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000371854863 477528893 /nfs/dbraw/zinc/52/88/93/477528893.db2.gz ZODDRPCLYLIVEZ-RISCZKNCSA-N 0 0 338.835 2.545 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCc2cccc(O)c21 ZINC000551248299 479147420 /nfs/dbraw/zinc/14/74/20/479147420.db2.gz UBPASNRHYRPXBT-HNNXBMFYSA-N 0 0 338.407 2.914 10 10 EFCERN COC(=O)c1ccc(CN2CCCC2=O)c(Oc2ccc(N)cc2)c1 ZINC000584597315 479191331 /nfs/dbraw/zinc/19/13/31/479191331.db2.gz BPJVUTSNOBGVSO-UHFFFAOYSA-N 0 0 340.379 2.970 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(C2CCC2)cnn1C ZINC000611656985 479438521 /nfs/dbraw/zinc/43/85/21/479438521.db2.gz HLRBHOKHHITMDT-UHFFFAOYSA-N 0 0 340.427 2.793 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3nn(C)cc3C)ccc21 ZINC000620921975 480273790 /nfs/dbraw/zinc/27/37/90/480273790.db2.gz ICSHRLUZEPIUPY-UHFFFAOYSA-N 0 0 340.427 2.621 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C(C)(C)O)CCCC1 ZINC000651423259 481769415 /nfs/dbraw/zinc/76/94/15/481769415.db2.gz GIWFJXHOOAYSKI-CYBMUJFWSA-N 0 0 344.455 2.804 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000161247079 534201628 /nfs/dbraw/zinc/20/16/28/534201628.db2.gz SASFBNXVWJCBTG-LRDDRELGSA-N 0 0 342.395 2.765 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)c(C)n1-c1ccccn1 ZINC000298285091 524129666 /nfs/dbraw/zinc/12/96/66/524129666.db2.gz MDGUUWAIAZCHRZ-HZPDHXFCSA-N 0 0 327.428 2.770 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncc(-c2ccccc2)cn1 ZINC000184322077 534775146 /nfs/dbraw/zinc/77/51/46/534775146.db2.gz MZZKJWPVXYWEAH-VQHVLOKHSA-N 0 0 347.374 2.884 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)cc1F ZINC000171832873 528306376 /nfs/dbraw/zinc/30/63/76/528306376.db2.gz GLWOAYNISWWZJZ-UHFFFAOYSA-N 0 0 346.406 2.692 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]2CCO[C@H]21 ZINC000246705242 535057348 /nfs/dbraw/zinc/05/73/48/535057348.db2.gz CHBCJLMPVOIPJO-KZNAEPCWSA-N 0 0 343.471 2.900 10 10 EFCERN CCc1noc(C)c1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297890598 535879335 /nfs/dbraw/zinc/87/93/35/535879335.db2.gz WRCIBLGFWSIEHC-UHFFFAOYSA-N 0 0 330.432 2.953 10 10 EFCERN CCc1cc(=O)n2nc(N[C@@H](C)c3cc(OC)ccc3O)sc2n1 ZINC000301175722 536094377 /nfs/dbraw/zinc/09/43/77/536094377.db2.gz GCWGCYIXXAOCAV-VIFPVBQESA-N 0 0 346.412 2.601 10 10 EFCERN CN(C[C@@H]1CCCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264602194 536421442 /nfs/dbraw/zinc/42/14/42/536421442.db2.gz CXVCOYWWRFTKCL-VQFGERMISA-N 0 0 344.455 2.564 10 10 EFCERN COC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1OC ZINC000302572458 536787513 /nfs/dbraw/zinc/78/75/13/536787513.db2.gz PZWGGRBCOGQJRV-UHFFFAOYSA-N 0 0 333.363 2.694 10 10 EFCERN COC(=O)[C@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 ZINC000753896105 575356364 /nfs/dbraw/zinc/35/63/64/575356364.db2.gz FYFIBZSLJHREPC-GFCCVEGCSA-N 0 0 334.397 2.604 10 10 EFCERN COc1cc(CN2CCN(C3CC3)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754735791 575480215 /nfs/dbraw/zinc/48/02/15/575480215.db2.gz BKYHAOYWILSMBQ-UHFFFAOYSA-N 0 0 332.444 2.505 10 10 EFCERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc(C)n1 ZINC000755579723 575603854 /nfs/dbraw/zinc/60/38/54/575603854.db2.gz IFSCBCLPVFZGLC-MRXNPFEDSA-N 0 0 341.411 2.620 10 10 EFCERN CCOC(=O)COCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000756091836 575682637 /nfs/dbraw/zinc/68/26/37/575682637.db2.gz IVAMBQLYMRRJHT-UHFFFAOYSA-N 0 0 347.333 2.918 10 10 EFCERN CC[C@@H]1CO[C@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000756126416 575688936 /nfs/dbraw/zinc/68/89/36/575688936.db2.gz HENARYFSTDFLBD-JDQXGDOCSA-N 0 0 334.372 2.785 10 10 EFCERN CC[C@@H]1CO[C@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000756127070 575689580 /nfs/dbraw/zinc/68/95/80/575689580.db2.gz HENARYFSTDFLBD-QJUZWUIZSA-N 0 0 334.372 2.785 10 10 EFCERN C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000756400301 575731209 /nfs/dbraw/zinc/73/12/09/575731209.db2.gz JLOTVJHKFSRENK-MRVPVSSYSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449135 575741447 /nfs/dbraw/zinc/74/14/47/575741447.db2.gz ITGKMFPDVFCISG-ANLVUFKYSA-N 0 0 346.118 2.868 10 10 EFCERN C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756539248 575757592 /nfs/dbraw/zinc/75/75/92/575757592.db2.gz KXWDOHVVGXDDFT-VIFPVBQESA-N 0 0 344.293 2.910 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756593414 575766224 /nfs/dbraw/zinc/76/62/24/575766224.db2.gz JQDPDGDELCURRL-RKDXNWHRSA-N 0 0 345.212 2.565 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756608276 575767317 /nfs/dbraw/zinc/76/73/17/575767317.db2.gz AAZOAHQEYUMNHW-MNOVXSKESA-N 0 0 332.404 2.933 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736606 575782310 /nfs/dbraw/zinc/78/23/10/575782310.db2.gz ORVBDIUPNCGANH-RISCZKNCSA-N 0 0 335.425 2.933 10 10 EFCERN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756785496 575786581 /nfs/dbraw/zinc/78/65/81/575786581.db2.gz FJGQHIOINLYKDD-LLVKDONJSA-N 0 0 332.404 2.934 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC=C(C(F)(F)F)CC3)cc2N1 ZINC000756952870 575804681 /nfs/dbraw/zinc/80/46/81/575804681.db2.gz FCZCLUMVKNUDDR-UHFFFAOYSA-N 0 0 343.261 2.625 10 10 EFCERN CCOC(=O)c1sc([C@@H](C)NC(=O)C2=CC(=O)CS2)nc1C ZINC000757422688 575839133 /nfs/dbraw/zinc/83/91/33/575839133.db2.gz RIFACAQNROCZMR-MRVPVSSYSA-N 0 0 340.426 2.886 10 10 EFCERN COC(=O)c1nc(NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000757701174 575850510 /nfs/dbraw/zinc/85/05/10/575850510.db2.gz FWVPJUYGYLTTJF-UHFFFAOYSA-N 0 0 347.440 2.687 10 10 EFCERN C[C@@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CCC12CCOCC2 ZINC000758313341 575866370 /nfs/dbraw/zinc/86/63/70/575866370.db2.gz BUYXLGQIRJJFIQ-HNNXBMFYSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1ccccc1-c1nc(COC(=O)c2cccc(O)c2O)no1 ZINC000758557406 575872609 /nfs/dbraw/zinc/87/26/09/575872609.db2.gz IUHGNDPQJAOZSC-UHFFFAOYSA-N 0 0 326.308 2.813 10 10 EFCERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cccc(O)c1O ZINC000758562310 575872830 /nfs/dbraw/zinc/87/28/30/575872830.db2.gz SXUMWRKEMJGJCD-UHFFFAOYSA-N 0 0 328.299 2.780 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](c2cccnc2)C2CC2)c1O ZINC000759687717 575921294 /nfs/dbraw/zinc/92/12/94/575921294.db2.gz UIBXSNLJDAXLFN-INIZCTEOSA-N 0 0 327.384 2.746 10 10 EFCERN Cc1cc(C(=O)CN(C)C2CC(O)C2)c(C)n1-c1ccc(F)cc1 ZINC000759868018 575948908 /nfs/dbraw/zinc/94/89/08/575948908.db2.gz HKRKVOMDRHZNOR-UHFFFAOYSA-N 0 0 330.403 2.871 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000760009088 575970874 /nfs/dbraw/zinc/97/08/74/575970874.db2.gz CLWRUGAYFGTFAT-MRVPVSSYSA-N 0 0 340.330 2.955 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2cnn(C)c2C(F)F)cc1F ZINC000760010093 575971224 /nfs/dbraw/zinc/97/12/24/575971224.db2.gz GUKICSJIGMBQKV-UHFFFAOYSA-N 0 0 341.337 2.885 10 10 EFCERN CCCC1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000760469860 576029117 /nfs/dbraw/zinc/02/91/17/576029117.db2.gz HFVWGOCBVUPJQR-UHFFFAOYSA-N 0 0 345.487 2.514 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000761355843 576150514 /nfs/dbraw/zinc/15/05/14/576150514.db2.gz MWPRKQVFOSKKGS-XIRDDKMYSA-N 0 0 327.428 2.624 10 10 EFCERN O=S1(=O)CC[C@@H](c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)C1 ZINC000761626893 576189724 /nfs/dbraw/zinc/18/97/24/576189724.db2.gz NRGJIYDYHDRYSM-GFCCVEGCSA-N 0 0 347.371 2.569 10 10 EFCERN C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000763198161 576366626 /nfs/dbraw/zinc/36/66/26/576366626.db2.gz QNDMGRYLNSSZTG-INIZCTEOSA-N 0 0 343.471 2.997 10 10 EFCERN C/C=C\C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365300 576374278 /nfs/dbraw/zinc/37/42/78/576374278.db2.gz LAUALUPUEFGJOE-LKIHTYOGSA-N 0 0 332.444 2.511 10 10 EFCERN C/C=C/C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365308 576374346 /nfs/dbraw/zinc/37/43/46/576374346.db2.gz LAUALUPUEFGJOE-YZTRRJNXSA-N 0 0 332.444 2.511 10 10 EFCERN C/C=C\C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365297 576374349 /nfs/dbraw/zinc/37/43/49/576374349.db2.gz LAUALUPUEFGJOE-AJNOYIKESA-N 0 0 332.444 2.511 10 10 EFCERN O=C(NCc1ccccc1O)NCc1ncc(-c2ccccc2)cn1 ZINC000764703459 576490848 /nfs/dbraw/zinc/49/08/48/576490848.db2.gz UIWHMDTYPQBEQX-UHFFFAOYSA-N 0 0 334.379 2.849 10 10 EFCERN COCc1nnc(NCc2cccc(Br)c2O)s1 ZINC000764933551 576525948 /nfs/dbraw/zinc/52/59/48/576525948.db2.gz FGTXJZRTJADKEQ-UHFFFAOYSA-N 0 0 330.207 2.765 10 10 EFCERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1cccc2nonc21 ZINC000765190310 577017543 /nfs/dbraw/zinc/01/75/43/577017543.db2.gz BUSLHKGPZGYBBW-UHFFFAOYSA-N 0 0 335.360 2.966 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCCOCC3CCC3)ccc21 ZINC000765313114 577031243 /nfs/dbraw/zinc/03/12/43/577031243.db2.gz BLGLVJBMIKUYCN-UHFFFAOYSA-N 0 0 331.460 2.685 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(O)cc1 ZINC000765982241 577095046 /nfs/dbraw/zinc/09/50/46/577095046.db2.gz JBRRGLUBJLBLCZ-LJQANCHMSA-N 0 0 340.423 2.779 10 10 EFCERN CO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(O)cc1 ZINC000765982237 577095102 /nfs/dbraw/zinc/09/51/02/577095102.db2.gz JBRRGLUBJLBLCZ-IBGZPJMESA-N 0 0 340.423 2.779 10 10 EFCERN COc1ccc(N(CC(=O)N2CCOC[C@@H]2C2CC2)CC(C)C)cc1 ZINC000766247175 577126349 /nfs/dbraw/zinc/12/63/49/577126349.db2.gz CLUCSZZTOMMOQL-LJQANCHMSA-N 0 0 346.471 2.795 10 10 EFCERN Cn1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000766267420 577129262 /nfs/dbraw/zinc/12/92/62/577129262.db2.gz XOKPMDMEZOHAGE-UHFFFAOYSA-N 0 0 340.383 2.631 10 10 EFCERN O=C(CCC(=O)c1cccc(F)c1)NCCc1ccc(O)c(O)c1 ZINC000767776847 577233553 /nfs/dbraw/zinc/23/35/53/577233553.db2.gz YIDDJCSAYODNMX-UHFFFAOYSA-N 0 0 331.343 2.559 10 10 EFCERN CC(C)Oc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC000768196723 577260591 /nfs/dbraw/zinc/26/05/91/577260591.db2.gz HNRSAVKUGOHWRU-GFCCVEGCSA-N 0 0 330.384 2.641 10 10 EFCERN COc1cccc2c1N(Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768463696 577275857 /nfs/dbraw/zinc/27/58/57/577275857.db2.gz VRYUMDTUDCPUBW-MRXNPFEDSA-N 0 0 327.380 2.779 10 10 EFCERN CN(Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462625 577276021 /nfs/dbraw/zinc/27/60/21/577276021.db2.gz ASYUYPWJGVAKQR-HNNXBMFYSA-N 0 0 346.452 2.785 10 10 EFCERN COc1cccc(O)c1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000769141896 577338569 /nfs/dbraw/zinc/33/85/69/577338569.db2.gz QNAIUQPVHWDXIS-UHFFFAOYSA-N 0 0 332.444 2.625 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769327316 577352400 /nfs/dbraw/zinc/35/24/00/577352400.db2.gz WVEXGGPDUCQDLV-CYBMUJFWSA-N 0 0 325.796 2.622 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCOC[C@@H]2C(=O)OC)cc1 ZINC000769398311 577359085 /nfs/dbraw/zinc/35/90/85/577359085.db2.gz JMGZFPXGUKXABC-GOSISDBHSA-N 0 0 334.460 2.687 10 10 EFCERN CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)s1 ZINC000769796647 577385786 /nfs/dbraw/zinc/38/57/86/577385786.db2.gz YXVFONYUPOFPSJ-TWGQIWQCSA-N 0 0 340.495 2.732 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000726797057 577386854 /nfs/dbraw/zinc/38/68/54/577386854.db2.gz YILBNSGTMBUBHR-AWEZNQCLSA-N 0 0 332.743 2.686 10 10 EFCERN CC(C)c1cccnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770089461 577401569 /nfs/dbraw/zinc/40/15/69/577401569.db2.gz PRRDCRSLRBYPFE-UHFFFAOYSA-N 0 0 349.412 2.534 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC[C@H]1C ZINC000770239481 577408401 /nfs/dbraw/zinc/40/84/01/577408401.db2.gz BANZQEYVMKCNBS-OAHLLOKOSA-N 0 0 339.505 2.692 10 10 EFCERN CC(C)NC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000771056583 581169516 /nfs/dbraw/zinc/16/95/16/581169516.db2.gz HIKTWYQGLWNHOC-UHFFFAOYSA-N 0 0 328.347 2.734 10 10 EFCERN Cn1ncc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C1CC1 ZINC000771212545 581188235 /nfs/dbraw/zinc/18/82/35/581188235.db2.gz BRKBEBDEXRCPQF-UHFFFAOYSA-N 0 0 337.427 2.995 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(C)c1C1CC1 ZINC000771210893 581188328 /nfs/dbraw/zinc/18/83/28/581188328.db2.gz JKONVTYIJUCJSP-UHFFFAOYSA-N 0 0 327.432 2.994 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(C)c2C2CC2)c1 ZINC000771225796 581189833 /nfs/dbraw/zinc/18/98/33/581189833.db2.gz CHQIFYFPUPSOLZ-JTQLQIEISA-N 0 0 330.388 2.894 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000771637451 581229153 /nfs/dbraw/zinc/22/91/53/581229153.db2.gz YUJUCJLVHWXADJ-INIZCTEOSA-N 0 0 345.443 2.633 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cc[nH]c(=O)c1Br ZINC000772378471 581316131 /nfs/dbraw/zinc/31/61/31/581316131.db2.gz QJGKBNLDJRTGCV-UHFFFAOYSA-N 0 0 337.173 2.528 10 10 EFCERN CCN(C[C@@H]1CCOC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000772897642 581379383 /nfs/dbraw/zinc/37/93/83/581379383.db2.gz KOZBXZLODBDLFJ-VSKVDJIOSA-N 0 0 334.372 2.644 10 10 EFCERN CCN(C[C@H]1CCOC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000772897637 581379409 /nfs/dbraw/zinc/37/94/09/581379409.db2.gz KOZBXZLODBDLFJ-BRLPQQTGSA-N 0 0 334.372 2.644 10 10 EFCERN Cc1nc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000773086059 581395536 /nfs/dbraw/zinc/39/55/36/581395536.db2.gz CIUMBZIJANZREV-NSHDSACASA-N 0 0 339.486 2.865 10 10 EFCERN CCNC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nn1 ZINC000773254101 581410405 /nfs/dbraw/zinc/41/04/05/581410405.db2.gz IHYCGYXJQHNXPG-UHFFFAOYSA-N 0 0 343.818 2.568 10 10 EFCERN Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)n2ncnc2n1 ZINC000773254125 581410453 /nfs/dbraw/zinc/41/04/53/581410453.db2.gz JBCKSLPMAPDYDU-UHFFFAOYSA-N 0 0 326.791 2.775 10 10 EFCERN C[C@@H](NC(=O)N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773624793 581451763 /nfs/dbraw/zinc/45/17/63/581451763.db2.gz KUHMDRJGDQYHSV-MLGOLLRUSA-N 0 0 333.457 2.908 10 10 EFCERN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1c(C)noc1C ZINC000773760837 581462697 /nfs/dbraw/zinc/46/26/97/581462697.db2.gz LZEORMNVGMDFEM-HZMBPMFUSA-N 0 0 332.400 2.944 10 10 EFCERN CCN(C)c1ccc(CN2CCS(=O)(=O)C(CC)(CC)C2)cc1 ZINC000773862153 581470373 /nfs/dbraw/zinc/47/03/73/581470373.db2.gz FECJTBLAUGLBFX-UHFFFAOYSA-N 0 0 338.517 2.932 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC12OCCO2 ZINC000773885216 581472156 /nfs/dbraw/zinc/47/21/56/581472156.db2.gz QDLAUSHVVVRSEA-QGZVFWFLSA-N 0 0 332.444 2.644 10 10 EFCERN Fc1ccccc1NC(=S)NCc1cccc(N2CCOCC2)n1 ZINC000774255943 581488170 /nfs/dbraw/zinc/48/81/70/581488170.db2.gz GQJXCPGORISYQT-UHFFFAOYSA-N 0 0 346.431 2.544 10 10 EFCERN C[C@H](NC(=O)C(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774497549 581492677 /nfs/dbraw/zinc/49/26/77/581492677.db2.gz IOUBOKNSCGXDKX-AWEZNQCLSA-N 0 0 331.460 2.626 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1CCCCC1 ZINC000774498938 581492768 /nfs/dbraw/zinc/49/27/68/581492768.db2.gz QIGXKGXFOANWIZ-UHFFFAOYSA-N 0 0 343.471 2.600 10 10 EFCERN CCCCCc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n[nH]1 ZINC000850008800 1250220916 /nfs/dbraw/zinc/22/09/16/1250220916.db2.gz AQNPPDBWVRVIRM-UHFFFAOYSA-N 0 0 332.356 2.593 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCC2(C)C)cc1 ZINC000850066128 1250256706 /nfs/dbraw/zinc/25/67/06/1250256706.db2.gz IQJOPLJVHYFPAL-INIZCTEOSA-N 0 0 332.444 2.690 10 10 EFCERN Cc1cc(CNC(=O)N2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC001687286607 1248198324 /nfs/dbraw/zinc/19/83/24/1248198324.db2.gz NCANRSYGLOOPOX-UHFFFAOYSA-N 0 0 326.444 2.551 10 10 EFCERN C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500000 1250510323 /nfs/dbraw/zinc/51/03/23/1250510323.db2.gz BVQJXJJIZFXFAH-ABAIWWIYSA-N 0 0 341.367 2.539 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H](C)NCc2nccc(OC)c2F)c1 ZINC000850537525 1250528006 /nfs/dbraw/zinc/52/80/06/1250528006.db2.gz RKZOOFVPFLJJSC-SNVBAGLBSA-N 0 0 334.347 2.572 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850625589 1250557899 /nfs/dbraw/zinc/55/78/99/1250557899.db2.gz GNVYKSJKHHHWQY-VYDXJSESSA-N 0 0 344.455 2.683 10 10 EFCERN CN(C)Cc1csc(CNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000922486293 1266122420 /nfs/dbraw/zinc/12/24/20/1266122420.db2.gz AFYPHIQINIOELV-UHFFFAOYSA-N 0 0 340.443 2.839 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000922523123 1266196488 /nfs/dbraw/zinc/19/64/88/1266196488.db2.gz IENGQLLHJUSGHU-QWHCGFSZSA-N 0 0 330.856 2.854 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922544596 1266239893 /nfs/dbraw/zinc/23/98/93/1266239893.db2.gz BINUUGRWGXXZCR-XUPHAZDTSA-N 0 0 332.274 2.764 10 10 EFCERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC001128138659 1261332978 /nfs/dbraw/zinc/33/29/78/1261332978.db2.gz YJYOVFOQLCCOTF-GFCCVEGCSA-N 0 0 326.400 2.597 10 10 EFCERN COc1ccc([C@@H](NC(=O)NCc2c(O)cccc2F)C2CC2)cn1 ZINC000923500730 1261797352 /nfs/dbraw/zinc/79/73/52/1261797352.db2.gz OMMOYQGLPHJQRW-KRWDZBQOSA-N 0 0 345.374 2.885 10 10 EFCERN C[C@@H]1C[C@@H](C)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000791577815 1278168474 /nfs/dbraw/zinc/16/84/74/1278168474.db2.gz NEXAXDMTDKRKPT-CHWSQXEVSA-N 0 0 348.402 2.883 10 10 EFCERN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584537 1278197762 /nfs/dbraw/zinc/19/77/62/1278197762.db2.gz OJISEOGWCONCOX-DOMZBBRYSA-N 0 0 343.393 2.642 10 10 EFCERN C[C@H]1[C@@H](C(F)(F)F)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584540 1278198091 /nfs/dbraw/zinc/19/80/91/1278198091.db2.gz OJISEOGWCONCOX-WFASDCNBSA-N 0 0 343.393 2.642 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2cn(CC3CC3)nn2)C2CC2)cc1 ZINC000824661015 1278233764 /nfs/dbraw/zinc/23/37/64/1278233764.db2.gz NSZVYOQXPOGLDE-UHFFFAOYSA-N 0 0 339.443 2.559 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3cc(C4CC4)no3)ccc21 ZINC000824682432 1278244268 /nfs/dbraw/zinc/24/42/68/1278244268.db2.gz FDIRTHJSTBSKSP-UHFFFAOYSA-N 0 0 325.412 2.793 10 10 EFCERN CC[C@H](COCC(F)(F)F)NC(=O)NCc1c(O)cccc1F ZINC000922664503 1266547305 /nfs/dbraw/zinc/54/73/05/1266547305.db2.gz VAIHMMKASCPPJS-SECBINFHSA-N 0 0 338.301 2.688 10 10 EFCERN CO[C@](C)(CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000922707972 1266627742 /nfs/dbraw/zinc/62/77/42/1266627742.db2.gz GVQWHNHNCRDBSY-GOSISDBHSA-N 0 0 332.375 2.892 10 10 EFCERN CCOc1ccc(O)c(CNCc2nn(C)cc2Br)c1 ZINC000824779712 1278277679 /nfs/dbraw/zinc/27/76/79/1278277679.db2.gz AXCGMTNCWNNTPT-UHFFFAOYSA-N 0 0 340.221 2.577 10 10 EFCERN C[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000734008264 1266809955 /nfs/dbraw/zinc/80/99/55/1266809955.db2.gz ASIAGWLCIZXBQN-INIZCTEOSA-N 0 0 331.460 2.997 10 10 EFCERN COC(=O)c1nc(NCc2ccc(N3CCOCC3)cc2)ccc1C ZINC000824216589 1266830238 /nfs/dbraw/zinc/83/02/38/1266830238.db2.gz LCVNUCLZPJVDTH-UHFFFAOYSA-N 0 0 341.411 2.625 10 10 EFCERN Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000825286122 1267055109 /nfs/dbraw/zinc/05/51/09/1267055109.db2.gz IEHJFOUHJHKOFD-UHFFFAOYSA-N 0 0 326.444 2.843 10 10 EFCERN Cc1cnc(F)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000888454806 1267058133 /nfs/dbraw/zinc/05/81/33/1267058133.db2.gz DOAZQBLEZUJMRW-AWEZNQCLSA-N 0 0 343.402 2.857 10 10 EFCERN C[C@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000735134504 1267207760 /nfs/dbraw/zinc/20/77/60/1267207760.db2.gz GNBXWGUNYYNCJH-GFCCVEGCSA-N 0 0 349.408 2.724 10 10 EFCERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000824858259 1278317366 /nfs/dbraw/zinc/31/73/66/1278317366.db2.gz BLLDJQZQRCLBOV-YVSFHVDLSA-N 0 0 330.428 2.881 10 10 EFCERN COCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000735519759 1267338021 /nfs/dbraw/zinc/33/80/21/1267338021.db2.gz UHPRNSMTMGGOMX-HNNXBMFYSA-N 0 0 345.395 2.953 10 10 EFCERN COC(=O)CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1 ZINC000736034176 1267483175 /nfs/dbraw/zinc/48/31/75/1267483175.db2.gz HSLLMOKSVPXBMY-VAWYXSNFSA-N 0 0 347.374 2.849 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC001136972779 1278377527 /nfs/dbraw/zinc/37/75/27/1278377527.db2.gz ZGESPVXANHMYAO-LJQANCHMSA-N 0 0 332.444 2.809 10 10 EFCERN C[C@H](NC(=O)Nc1ccc2c(n1)OCCO2)c1ccc(N(C)C)cc1 ZINC000825014092 1278383673 /nfs/dbraw/zinc/38/36/73/1278383673.db2.gz XJZQJODENAZZCL-LBPRGKRZSA-N 0 0 342.399 2.802 10 10 EFCERN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ncccn2)cc1 ZINC000738298267 1268442033 /nfs/dbraw/zinc/44/20/33/1268442033.db2.gz HBLUXEPURKEBPJ-HNNXBMFYSA-N 0 0 341.459 2.782 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000825124159 1278419515 /nfs/dbraw/zinc/41/95/15/1278419515.db2.gz IXOGEWJXWIGUSY-LBPRGKRZSA-N 0 0 332.366 2.717 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000825133456 1278424124 /nfs/dbraw/zinc/42/41/24/1278424124.db2.gz FZSCUDDZAKOVGW-HNNXBMFYSA-N 0 0 326.780 2.956 10 10 EFCERN O=C(NCc1ccccc1O)c1cccc(OCC(F)(F)F)n1 ZINC000740083500 1268828510 /nfs/dbraw/zinc/82/85/10/1268828510.db2.gz JHFZRCSVMWEVEJ-UHFFFAOYSA-N 0 0 326.274 2.658 10 10 EFCERN CCc1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000740462834 1268957946 /nfs/dbraw/zinc/95/79/46/1268957946.db2.gz ABQWBLDSZMKGRR-UHFFFAOYSA-N 0 0 330.388 2.600 10 10 EFCERN CCc1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)no1 ZINC000740464101 1268958030 /nfs/dbraw/zinc/95/80/30/1268958030.db2.gz YXBMLEPWLLQIMY-UHFFFAOYSA-N 0 0 344.415 2.990 10 10 EFCERN CO[C@H](C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000741083628 1269306794 /nfs/dbraw/zinc/30/67/94/1269306794.db2.gz VFLGMYRCEUNBDE-CYBMUJFWSA-N 0 0 325.428 2.847 10 10 EFCERN COC(=O)[C@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825358051 1278520102 /nfs/dbraw/zinc/52/01/02/1278520102.db2.gz NCTWLFWOVDDTCC-CYBMUJFWSA-N 0 0 328.412 2.562 10 10 EFCERN O=C1NN(c2ccccc2)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742434409 1270061483 /nfs/dbraw/zinc/06/14/83/1270061483.db2.gz IGLQWONZNDMHMM-LFIBNONCSA-N 0 0 330.347 2.538 10 10 EFCERN Cc1cc(CCNC(=O)NC[C@H](C)CCO)c(C)n1-c1ccccc1 ZINC000745392525 1271470173 /nfs/dbraw/zinc/47/01/73/1271470173.db2.gz WHDLTMPWAFKHMG-OAHLLOKOSA-N 0 0 343.471 2.954 10 10 EFCERN O=C(c1ccccc1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789063 1271768454 /nfs/dbraw/zinc/76/84/54/1271768454.db2.gz KFTYBYYNTBEQLJ-UHFFFAOYSA-N 0 0 338.407 2.558 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000746167822 1271873634 /nfs/dbraw/zinc/87/36/34/1271873634.db2.gz JJBAXIUXQAWDII-HZPDHXFCSA-N 0 0 339.439 2.899 10 10 EFCERN Cc1nc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C ZINC000746402381 1272176252 /nfs/dbraw/zinc/17/62/52/1272176252.db2.gz YHPREKHQSBASAU-UHFFFAOYSA-N 0 0 339.486 2.647 10 10 EFCERN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843936794 1278688343 /nfs/dbraw/zinc/68/83/43/1278688343.db2.gz UPGLQAXWLMBPQX-WCQYABFASA-N 0 0 335.400 2.538 10 10 EFCERN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843936797 1278686888 /nfs/dbraw/zinc/68/68/88/1278686888.db2.gz UPGLQAXWLMBPQX-YPMHNXCESA-N 0 0 335.400 2.538 10 10 EFCERN CN(C)c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000804329980 1273018880 /nfs/dbraw/zinc/01/88/80/1273018880.db2.gz GNILWCOWBCDXNN-UHFFFAOYSA-N 0 0 339.355 2.922 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000844101934 1278754671 /nfs/dbraw/zinc/75/46/71/1278754671.db2.gz GZRIPIILZCCZQN-HNNXBMFYSA-N 0 0 325.412 2.663 10 10 EFCERN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(=O)OC(C)(C)C ZINC000844148122 1278774858 /nfs/dbraw/zinc/77/48/58/1278774858.db2.gz WJWZAUVEGGJAPJ-JQWIXIFHSA-N 0 0 325.430 2.894 10 10 EFCERN C[NH+](C)[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210457 1278813489 /nfs/dbraw/zinc/81/34/89/1278813489.db2.gz YDVGZSZACCNNMZ-OWNNVSBGSA-N 0 0 333.388 2.613 10 10 EFCERN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSC ZINC000798248788 1274397414 /nfs/dbraw/zinc/39/74/14/1274397414.db2.gz MNUSXBQDPGDDPC-UHFFFAOYSA-N 0 0 338.473 2.738 10 10 EFCERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000785495952 1275098968 /nfs/dbraw/zinc/09/89/68/1275098968.db2.gz SMEZKINUPFVKQH-GUYCJALGSA-N 0 0 339.457 2.644 10 10 EFCERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CCOC(C)(C)C)C1=O ZINC000804175617 1275244742 /nfs/dbraw/zinc/24/47/42/1275244742.db2.gz YXZANOOLKPSBCP-BBRMVZONSA-N 0 0 347.459 2.939 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000786024298 1275264373 /nfs/dbraw/zinc/26/43/73/1275264373.db2.gz KPRLHWOVZAHGRO-UHFFFAOYSA-N 0 0 337.379 2.908 10 10 EFCERN CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000786725595 1275494362 /nfs/dbraw/zinc/49/43/62/1275494362.db2.gz XJAATCRQUQATBG-AWEZNQCLSA-N 0 0 345.365 2.663 10 10 EFCERN CO[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000786766631 1275518977 /nfs/dbraw/zinc/51/89/77/1275518977.db2.gz DACCQGWEWPIOBC-CQSZACIVSA-N 0 0 347.381 2.828 10 10 EFCERN C[C@@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000787064133 1275630353 /nfs/dbraw/zinc/63/03/53/1275630353.db2.gz JXZOEYGIZVMWDN-ZSGPHXLJSA-N 0 0 329.444 2.682 10 10 EFCERN COC(=O)CC1(CC(=O)NCc2cc(OC)ccc2O)CCCC1 ZINC000787131611 1275673376 /nfs/dbraw/zinc/67/33/76/1275673376.db2.gz QIHNLJLFSZGKKV-UHFFFAOYSA-N 0 0 335.400 2.531 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000787131604 1275673861 /nfs/dbraw/zinc/67/38/61/1275673861.db2.gz QEMITPKKJMGHKO-SECBINFHSA-N 0 0 343.305 2.651 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(O)cc1 ZINC000787378042 1275761431 /nfs/dbraw/zinc/76/14/31/1275761431.db2.gz QYAIHXZKGNQWRJ-GOSISDBHSA-N 0 0 328.412 2.771 10 10 EFCERN CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(O)cc1 ZINC000787448669 1275781424 /nfs/dbraw/zinc/78/14/24/1275781424.db2.gz FSWGPNPGVPKXKD-LJQANCHMSA-N 0 0 341.407 2.981 10 10 EFCERN CC1(C)CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000787469186 1275792209 /nfs/dbraw/zinc/79/22/09/1275792209.db2.gz STOANYAWJYFQAT-NVXWUHKLSA-N 0 0 333.428 2.857 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cc(Br)n[nH]1 ZINC000788296952 1276115935 /nfs/dbraw/zinc/11/59/35/1276115935.db2.gz RTDHVQXHYPNDBQ-UHFFFAOYSA-N 0 0 338.205 2.930 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000788274777 1276124176 /nfs/dbraw/zinc/12/41/76/1276124176.db2.gz BIDQARMXWXVFCG-YVEFUNNKSA-N 0 0 330.403 2.871 10 10 EFCERN Cc1cc(Br)c(O)c(CNc2nnc(C(C)(C)O)o2)c1 ZINC000788449688 1276175985 /nfs/dbraw/zinc/17/59/85/1276175985.db2.gz PPTMJVSXAOHLBJ-UHFFFAOYSA-N 0 0 342.193 2.686 10 10 EFCERN CN(C)c1ccc(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000788501706 1276202960 /nfs/dbraw/zinc/20/29/60/1276202960.db2.gz GXYWWXSAMPXFPE-GOSISDBHSA-N 0 0 325.391 2.889 10 10 EFCERN CN(C)c1ccc(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000788501708 1276203517 /nfs/dbraw/zinc/20/35/17/1276203517.db2.gz GXYWWXSAMPXFPE-SFHVURJKSA-N 0 0 325.391 2.889 10 10 EFCERN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCCO1 ZINC000788533004 1276222892 /nfs/dbraw/zinc/22/28/92/1276222892.db2.gz BWCNQCFOGKBERL-KGLIPLIRSA-N 0 0 344.249 2.747 10 10 EFCERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c(O)c1 ZINC000788606624 1276238328 /nfs/dbraw/zinc/23/83/28/1276238328.db2.gz BDZGTOABPVTGSL-AWEZNQCLSA-N 0 0 339.439 2.717 10 10 EFCERN CC[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCO1 ZINC000817776479 1276297196 /nfs/dbraw/zinc/29/71/96/1276297196.db2.gz KDFYUAWVGNAZPU-NWDGAFQWSA-N 0 0 329.491 2.882 10 10 EFCERN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968005 1276410355 /nfs/dbraw/zinc/41/03/55/1276410355.db2.gz FVOXEAABULUDPO-ZDMBXUJBSA-N 0 0 331.229 2.942 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2ccnn2C)c1O ZINC000844465832 1279022484 /nfs/dbraw/zinc/02/24/84/1279022484.db2.gz VXARTZIMNATSHI-MRXNPFEDSA-N 0 0 349.818 2.555 10 10 EFCERN CO[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@@H]1C ZINC000817996990 1276406392 /nfs/dbraw/zinc/40/63/92/1276406392.db2.gz IGKPKFKNOGKIRF-LRDDRELGSA-N 0 0 345.468 2.813 10 10 EFCERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788931888 1276421398 /nfs/dbraw/zinc/42/13/98/1276421398.db2.gz IQHTYFIWNRJUDT-CVEARBPZSA-N 0 0 343.471 2.550 10 10 EFCERN COc1nn(C)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000788984799 1276428653 /nfs/dbraw/zinc/42/86/53/1276428653.db2.gz NKOFOSHQMLIEGG-LBPRGKRZSA-N 0 0 334.395 2.578 10 10 EFCERN CCOc1ccc(O)c(CN[C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000818230487 1276496046 /nfs/dbraw/zinc/49/60/46/1276496046.db2.gz CIGHVONDJJHFKN-SNVBAGLBSA-N 0 0 336.413 2.885 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)c(O)c1O ZINC000818323250 1276506586 /nfs/dbraw/zinc/50/65/86/1276506586.db2.gz ZIVMYTHFYOZFNQ-SNVBAGLBSA-N 0 0 332.303 2.896 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818330155 1276507920 /nfs/dbraw/zinc/50/79/20/1276507920.db2.gz OMTYACCXJBAAMC-YMTOWFKASA-N 0 0 325.792 2.933 10 10 EFCERN CN(C)c1ccc(/C=C\CNC2(c3ncccn3)CCOCC2)cc1 ZINC000923011620 1276522874 /nfs/dbraw/zinc/52/28/74/1276522874.db2.gz VSTHPUAEQXDNEH-HYXAFXHYSA-N 0 0 338.455 2.851 10 10 EFCERN COc1ccccc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166063 1276650586 /nfs/dbraw/zinc/65/05/86/1276650586.db2.gz LLQJRMVEFFFNQT-CYBMUJFWSA-N 0 0 340.379 2.926 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cc2c(cn1)OCCO2 ZINC000819381929 1276763991 /nfs/dbraw/zinc/76/39/91/1276763991.db2.gz GLPUOGMVERXOMD-UHFFFAOYSA-N 0 0 328.368 2.611 10 10 EFCERN O=C(/C=C\[C@@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000819530700 1276806350 /nfs/dbraw/zinc/80/63/50/1276806350.db2.gz IQQGIYKCUYSAFW-RNZFLTOJSA-N 0 0 326.190 2.506 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C3CCOCC3)C2)cc1 ZINC000819587169 1276829790 /nfs/dbraw/zinc/82/97/90/1276829790.db2.gz XFJYJOLOEILICV-HZPDHXFCSA-N 0 0 346.471 2.700 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C3CCOCC3)C2)cc1 ZINC000819587167 1276829862 /nfs/dbraw/zinc/82/98/62/1276829862.db2.gz XFJYJOLOEILICV-CVEARBPZSA-N 0 0 346.471 2.700 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C)nc1C ZINC000819696117 1276878140 /nfs/dbraw/zinc/87/81/40/1276878140.db2.gz MDSKMPAEWWFSHI-UHFFFAOYSA-N 0 0 342.395 2.610 10 10 EFCERN CC(=O)N1CC[C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000819887432 1276935966 /nfs/dbraw/zinc/93/59/66/1276935966.db2.gz OBSGGUPUZRXCGQ-OAHLLOKOSA-N 0 0 345.468 2.754 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)[C@H]2CCOC2)cc1 ZINC000819973893 1276957708 /nfs/dbraw/zinc/95/77/08/1276957708.db2.gz DSDPXPBHIRTVKC-FUHWJXTLSA-N 0 0 334.460 2.543 10 10 EFCERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000819979227 1276959004 /nfs/dbraw/zinc/95/90/04/1276959004.db2.gz SNXOXMKHLOYNIS-PKOBYXMFSA-N 0 0 346.471 2.687 10 10 EFCERN Cc1cc(C)c(N2CC[C@H](NC(=O)C3=CC(=O)CS3)C2=O)c(C)c1 ZINC000789921294 1277072403 /nfs/dbraw/zinc/07/24/03/1277072403.db2.gz KZCPBYUECISEPC-AWEZNQCLSA-N 0 0 344.436 2.914 10 10 EFCERN CN(C)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000789902064 1277088833 /nfs/dbraw/zinc/08/88/33/1277088833.db2.gz JGNHFRYBJPOPQI-IBGZPJMESA-N 0 0 328.387 2.908 10 10 EFCERN COC[C@H](NC(=O)NCc1c(O)cccc1F)c1cccc(OC)c1 ZINC000923248605 1277365243 /nfs/dbraw/zinc/36/52/43/1277365243.db2.gz XYACMFQSPYMZGF-INIZCTEOSA-N 0 0 348.374 2.727 10 10 EFCERN C[C@H](NC(=O)c1cc(F)ccc1N)c1ccc(N2CCOCC2)cc1 ZINC001136442918 1277537732 /nfs/dbraw/zinc/53/77/32/1277537732.db2.gz JGDQXQCNYMWGBZ-ZDUSSCGKSA-N 0 0 343.402 2.736 10 10 EFCERN COc1cc2nc(NC(=O)c3cccc(O)c3O)sc2cc1OC ZINC000790495364 1277600485 /nfs/dbraw/zinc/60/04/85/1277600485.db2.gz PRHVPTDMUWJYDT-UHFFFAOYSA-N 0 0 346.364 2.977 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCc2ccccc2C1 ZINC000790465660 1277608192 /nfs/dbraw/zinc/60/81/92/1277608192.db2.gz GSGMEFABYANUNO-ZDUSSCGKSA-N 0 0 326.396 2.797 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(F)(F)C1CCOCC1 ZINC000790648747 1277718190 /nfs/dbraw/zinc/71/81/90/1277718190.db2.gz PFHDPAWCYPBTJK-UHFFFAOYSA-N 0 0 326.387 2.739 10 10 EFCERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000790739296 1277754089 /nfs/dbraw/zinc/75/40/89/1277754089.db2.gz YNMHOGNEIVCHTA-CYBMUJFWSA-N 0 0 343.379 2.549 10 10 EFCERN Cc1c(CN(C)C(=O)NCCCSc2nccs2)cnn1C ZINC000790782173 1277770386 /nfs/dbraw/zinc/77/03/86/1277770386.db2.gz WIFCGTQRERYNAF-UHFFFAOYSA-N 0 0 339.490 2.509 10 10 EFCERN C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000790967590 1277884443 /nfs/dbraw/zinc/88/44/43/1277884443.db2.gz GFIPIXIMHPMEAQ-ZDUSSCGKSA-N 0 0 340.427 2.822 10 10 EFCERN COC1(C[C@@H]2NC(=O)N([C@@H](C)c3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844721045 1279198750 /nfs/dbraw/zinc/19/87/50/1279198750.db2.gz WMZDKXSCZUMTKT-BBRMVZONSA-N 0 0 345.443 2.693 10 10 EFCERN COCc1ccnc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000844837740 1279263678 /nfs/dbraw/zinc/26/36/78/1279263678.db2.gz LLVYCEPGCXBAKX-LLVKDONJSA-N 0 0 331.372 2.825 10 10 EFCERN C[C@@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC000815162837 1287336200 /nfs/dbraw/zinc/33/62/00/1287336200.db2.gz JODFICUHFFTWAL-CHWSQXEVSA-N 0 0 348.402 2.741 10 10 EFCERN COc1ccc(CNC(=O)NCCCc2cccc(F)c2)c(O)c1 ZINC000792927314 1279281493 /nfs/dbraw/zinc/28/14/93/1279281493.db2.gz DYNYXLJINJQTER-UHFFFAOYSA-N 0 0 332.375 2.972 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COc2ccsc2)cc1 ZINC000844856022 1279286202 /nfs/dbraw/zinc/28/62/02/1279286202.db2.gz LFNHBGRMRRLNSC-UHFFFAOYSA-N 0 0 334.441 2.730 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@@H]2OC)cc1 ZINC000844857450 1279287649 /nfs/dbraw/zinc/28/76/49/1279287649.db2.gz XOTPELDKLHPPML-ROUUACIJSA-N 0 0 334.460 2.795 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@H]2OC)cc1 ZINC000844857449 1279287783 /nfs/dbraw/zinc/28/77/83/1279287783.db2.gz XOTPELDKLHPPML-QZTJIDSGSA-N 0 0 334.460 2.795 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCc3cccnc3F)ccc21 ZINC000792951124 1279302120 /nfs/dbraw/zinc/30/21/20/1279302120.db2.gz FMBOVMWCDWESHQ-UHFFFAOYSA-N 0 0 328.391 2.603 10 10 EFCERN CCc1onc(C)c1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844853655 1279310606 /nfs/dbraw/zinc/31/06/06/1279310606.db2.gz ZVXGAOSTSHJWFF-UHFFFAOYSA-N 0 0 331.416 2.762 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)CCc2ccccc2O)cc1 ZINC000844852232 1279310970 /nfs/dbraw/zinc/31/09/70/1279310970.db2.gz GEGSSVXIFPVISD-UHFFFAOYSA-N 0 0 342.439 2.928 10 10 EFCERN COc1ccc(CNC(=O)NCCc2cc(F)ccc2F)c(O)c1 ZINC000792970305 1279312594 /nfs/dbraw/zinc/31/25/94/1279312594.db2.gz SGCBUDVJDYULJI-UHFFFAOYSA-N 0 0 336.338 2.721 10 10 EFCERN COc1ccc(CNC(=O)NCc2nc3c(cccc3C)[nH]2)c(O)c1 ZINC000793030755 1279330677 /nfs/dbraw/zinc/33/06/77/1279330677.db2.gz ZIBWYYJUTQGOLZ-UHFFFAOYSA-N 0 0 340.383 2.585 10 10 EFCERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000795192536 1287340954 /nfs/dbraw/zinc/34/09/54/1287340954.db2.gz LLKDLNYSFSWUAQ-SFYZADRCSA-N 0 0 345.277 2.703 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N3CCCCCO3)CC2)cc1 ZINC000844947059 1279372175 /nfs/dbraw/zinc/37/21/75/1279372175.db2.gz VVODYZDWZDSLIE-UHFFFAOYSA-N 0 0 333.432 2.791 10 10 EFCERN O=C(NCCCSc1nccs1)NCc1cccnc1F ZINC000793101905 1279376649 /nfs/dbraw/zinc/37/66/49/1279376649.db2.gz HPGKEXNPRXFVAP-UHFFFAOYSA-N 0 0 326.422 2.659 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2[nH]ccc2s1 ZINC000793160684 1279390846 /nfs/dbraw/zinc/39/08/46/1279390846.db2.gz CEBLVNAWBXUAAX-UHFFFAOYSA-N 0 0 341.436 2.996 10 10 EFCERN Cc1ccc(CN(CCO)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000793168638 1279415640 /nfs/dbraw/zinc/41/56/40/1279415640.db2.gz QOGRBKHRIKQZBN-OAHLLOKOSA-N 0 0 345.443 2.919 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C2(C(=O)OC(C)(C)C)CC2)cc1 ZINC000845114369 1279443040 /nfs/dbraw/zinc/44/30/40/1279443040.db2.gz IWJUNUMYBVRWNU-UHFFFAOYSA-N 0 0 332.444 2.833 10 10 EFCERN COC(=O)CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000793231462 1279460127 /nfs/dbraw/zinc/46/01/27/1279460127.db2.gz NUPLJQNPTWBXNQ-UHFFFAOYSA-N 0 0 342.779 2.919 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000845531477 1279706314 /nfs/dbraw/zinc/70/63/14/1279706314.db2.gz BDYPSCORJUNKIS-UHFFFAOYSA-N 0 0 332.444 2.799 10 10 EFCERN CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000845671048 1279780333 /nfs/dbraw/zinc/78/03/33/1279780333.db2.gz YWOJRGNTKLTWCB-RCQQVGEISA-N 0 0 334.372 2.786 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(F)F ZINC000793773333 1279888146 /nfs/dbraw/zinc/88/81/46/1279888146.db2.gz RHCAZTSJPMDPAC-UHFFFAOYSA-N 0 0 335.734 2.593 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000822497125 1289015393 /nfs/dbraw/zinc/01/53/93/1289015393.db2.gz KZTKQAVTRZKTCU-AWEZNQCLSA-N 0 0 326.400 2.799 10 10 EFCERN Cc1cnc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000845924256 1279936252 /nfs/dbraw/zinc/93/62/52/1279936252.db2.gz JFLNECLTZWTUBV-ZDUSSCGKSA-N 0 0 340.427 2.580 10 10 EFCERN CCOc1ccc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000793999094 1279988192 /nfs/dbraw/zinc/98/81/92/1279988192.db2.gz QCMDHVZYIGOXSL-QGZVFWFLSA-N 0 0 345.443 2.715 10 10 EFCERN CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2c2ccnn2C)cc1 ZINC000846114570 1280023235 /nfs/dbraw/zinc/02/32/35/1280023235.db2.gz DUGVHEAEAZATGP-PHWHVTFISA-N 0 0 326.444 2.573 10 10 EFCERN CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000794113402 1280033724 /nfs/dbraw/zinc/03/37/24/1280033724.db2.gz LYYVFPCYWCBPNS-UHFFFAOYSA-N 0 0 343.383 2.824 10 10 EFCERN C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846180574 1280060514 /nfs/dbraw/zinc/06/05/14/1280060514.db2.gz VIHYVPAAHWREHV-YJYMSZOUSA-N 0 0 342.395 2.828 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CNc3ccccc3C2)c1 ZINC000846193948 1280066460 /nfs/dbraw/zinc/06/64/60/1280066460.db2.gz HTOZZCSKGWFZGV-GXTWGEPZSA-N 0 0 341.411 2.798 10 10 EFCERN C[C@]1(c2cccc(F)c2)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000846320823 1280114263 /nfs/dbraw/zinc/11/42/63/1280114263.db2.gz VPBIZNGETHCBRM-IBGZPJMESA-N 0 0 341.386 2.537 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000794308253 1280119065 /nfs/dbraw/zinc/11/90/65/1280119065.db2.gz HORQPKRLVRKFKT-LLVKDONJSA-N 0 0 346.387 2.861 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3c(c2O)CCCC3)c(O)c1 ZINC000794378315 1280161028 /nfs/dbraw/zinc/16/10/28/1280161028.db2.gz SLTJJFRCKKNLND-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN CC(C)(C)c1noc(CCC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846472677 1280190368 /nfs/dbraw/zinc/19/03/68/1280190368.db2.gz LEZIHUZHZAGDQW-UHFFFAOYSA-N 0 0 337.807 2.975 10 10 EFCERN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476180 1280191936 /nfs/dbraw/zinc/19/19/36/1280191936.db2.gz JVYIVYIIEQFGES-MRXNPFEDSA-N 0 0 328.815 2.874 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1c1nccs1 ZINC000846477897 1280194146 /nfs/dbraw/zinc/19/41/46/1280194146.db2.gz XCEPHGYQPWRPTA-LBPRGKRZSA-N 0 0 337.832 2.787 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804460320 1280218836 /nfs/dbraw/zinc/21/88/36/1280218836.db2.gz IWXJNQNLCLVNKC-UHFFFAOYSA-N 0 0 330.388 2.656 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815302617 1287419931 /nfs/dbraw/zinc/41/99/31/1287419931.db2.gz ZHZXABFLXHFGMU-UHFFFAOYSA-N 0 0 339.775 2.761 10 10 EFCERN O=C(NCc1nccs1)NCc1cc(Br)ccc1O ZINC000804970780 1280416948 /nfs/dbraw/zinc/41/69/48/1280416948.db2.gz OZZRAHMQSWFTSG-UHFFFAOYSA-N 0 0 342.218 2.611 10 10 EFCERN O=C(NCCOC1CCC1)NCc1cc(Br)ccc1O ZINC000805161071 1280463038 /nfs/dbraw/zinc/46/30/38/1280463038.db2.gz LTAIQGIQEFQUNO-UHFFFAOYSA-N 0 0 343.221 2.523 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCCO1 ZINC000805182054 1280471495 /nfs/dbraw/zinc/47/14/95/1280471495.db2.gz BXBMXOGODXOZPO-GFCCVEGCSA-N 0 0 343.221 2.523 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCCO1 ZINC000805182055 1280472058 /nfs/dbraw/zinc/47/20/58/1280472058.db2.gz BXBMXOGODXOZPO-LBPRGKRZSA-N 0 0 343.221 2.523 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCS1 ZINC000805196789 1280478518 /nfs/dbraw/zinc/47/85/18/1280478518.db2.gz NEVYCTHVCUOOQT-LLVKDONJSA-N 0 0 345.262 2.850 10 10 EFCERN CS[C@@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805226077 1280480287 /nfs/dbraw/zinc/48/02/87/1280480287.db2.gz QWSQXOSRLIWLMS-QMMMGPOBSA-N 0 0 333.251 2.705 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000846785572 1280485615 /nfs/dbraw/zinc/48/56/15/1280485615.db2.gz HTEGHAVEWKFJLY-FUHWJXTLSA-N 0 0 344.411 2.504 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805252126 1280486620 /nfs/dbraw/zinc/48/66/20/1280486620.db2.gz XVJRHEHCKKYBPO-BXKDBHETSA-N 0 0 343.221 2.521 10 10 EFCERN CC[C@H]([C@H]1CCCCO1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000846790092 1280490788 /nfs/dbraw/zinc/49/07/88/1280490788.db2.gz SRQVBNBLESUADR-GDBMZVCRSA-N 0 0 332.400 2.504 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC2(CCCC2)O1 ZINC000846790558 1280491918 /nfs/dbraw/zinc/49/19/18/1280491918.db2.gz UWXMYEIMESBWLQ-HNNXBMFYSA-N 0 0 344.411 2.648 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCSC1 ZINC000805394481 1280534829 /nfs/dbraw/zinc/53/48/29/1280534829.db2.gz PJKLCYDYPPDPHV-SECBINFHSA-N 0 0 345.262 2.707 10 10 EFCERN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000872118848 1287434374 /nfs/dbraw/zinc/43/43/74/1287434374.db2.gz KBSSDRKAZJJIIO-WDFAYWTNSA-N 0 0 327.421 2.538 10 10 EFCERN COc1cc(Br)cc([C@@H](C)NCc2nonc2C)c1O ZINC000872135158 1287440083 /nfs/dbraw/zinc/44/00/83/1287440083.db2.gz FXSNZWNCVWSGNE-SSDOTTSWSA-N 0 0 342.193 2.706 10 10 EFCERN C[C@@H]1CSC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805791930 1280772285 /nfs/dbraw/zinc/77/22/85/1280772285.db2.gz QABSFTZSMXSYBE-KCJUWKMLSA-N 0 0 345.262 2.705 10 10 EFCERN Cc1ncc(NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000806256647 1281017012 /nfs/dbraw/zinc/01/70/12/1281017012.db2.gz MSPDUGUQJADQFC-UHFFFAOYSA-N 0 0 337.177 2.575 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC12OCCO2 ZINC000806666645 1281128994 /nfs/dbraw/zinc/12/89/94/1281128994.db2.gz PWPXTZOWWSHWBX-SFHVURJKSA-N 0 0 344.455 2.836 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CO[C@@H](C)c1nccn1C ZINC000806736227 1281137693 /nfs/dbraw/zinc/13/76/93/1281137693.db2.gz PQADEAZXQYEGFG-AWEZNQCLSA-N 0 0 331.416 2.642 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2cnccn2)c1 ZINC001147410255 1281171937 /nfs/dbraw/zinc/17/19/37/1281171937.db2.gz JSWVLGZFVQSZAU-UHFFFAOYSA-N 0 0 348.406 2.969 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCCCC[C@@H]1CCO ZINC000806958749 1281181235 /nfs/dbraw/zinc/18/12/35/1281181235.db2.gz LUGDGZKOUMGSQN-CYBMUJFWSA-N 0 0 343.518 2.962 10 10 EFCERN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1(CO)CC1 ZINC000807048162 1281205810 /nfs/dbraw/zinc/20/58/10/1281205810.db2.gz DMAYSSVBTAVMKZ-UHFFFAOYSA-N 0 0 338.367 2.682 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc(F)c1N ZINC001147888470 1281323064 /nfs/dbraw/zinc/32/30/64/1281323064.db2.gz OGVYHJIKSVJWFE-UHFFFAOYSA-N 0 0 333.338 2.652 10 10 EFCERN CNc1nc(C(=O)NCc2cc(Br)ccc2O)cs1 ZINC000807738148 1281400789 /nfs/dbraw/zinc/40/07/89/1281400789.db2.gz BDHNJWUDKQLZTR-UHFFFAOYSA-N 0 0 342.218 2.583 10 10 EFCERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000807842313 1281436306 /nfs/dbraw/zinc/43/63/06/1281436306.db2.gz QHJAVNOCMDJYBJ-OAHLLOKOSA-N 0 0 332.375 2.643 10 10 EFCERN COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000807842312 1281436323 /nfs/dbraw/zinc/43/63/23/1281436323.db2.gz QHJAVNOCMDJYBJ-HNNXBMFYSA-N 0 0 332.375 2.643 10 10 EFCERN CCOC1CC(N(C)c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000808086542 1281532331 /nfs/dbraw/zinc/53/23/31/1281532331.db2.gz BVXMHNWRUIMIOG-SOFGYWHQSA-N 0 0 334.372 2.785 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000808504707 1281744233 /nfs/dbraw/zinc/74/42/33/1281744233.db2.gz KFPHLJAKLYAZPX-UHFFFAOYSA-N 0 0 330.340 2.539 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C ZINC000808517330 1281749293 /nfs/dbraw/zinc/74/92/93/1281749293.db2.gz XRTPJQOCXOKEBK-GFCCVEGCSA-N 0 0 341.363 2.546 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000808523923 1281753415 /nfs/dbraw/zinc/75/34/15/1281753415.db2.gz XMOYBSUCBXRHPW-UHFFFAOYSA-N 0 0 333.727 2.842 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000808521628 1281753459 /nfs/dbraw/zinc/75/34/59/1281753459.db2.gz XUZZWQIBVITDCD-UHFFFAOYSA-N 0 0 344.367 2.640 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C ZINC000808527131 1281754264 /nfs/dbraw/zinc/75/42/64/1281754264.db2.gz ZLYFWOLVYPDMGK-UHFFFAOYSA-N 0 0 341.363 2.749 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000808527679 1281755178 /nfs/dbraw/zinc/75/51/78/1281755178.db2.gz LXLXWLRTPXKUBT-UHFFFAOYSA-N 0 0 329.377 2.856 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000808543380 1281770436 /nfs/dbraw/zinc/77/04/36/1281770436.db2.gz GKOFCTGIZKRJIU-UHFFFAOYSA-N 0 0 334.331 2.612 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Br)c(Cl)c1F ZINC000808542955 1281771210 /nfs/dbraw/zinc/77/12/10/1281771210.db2.gz LHDTZTNFOCAGBM-UHFFFAOYSA-N 0 0 337.528 2.557 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000808543550 1281771520 /nfs/dbraw/zinc/77/15/20/1281771520.db2.gz JHMIITZCLSPCFF-UHFFFAOYSA-N 0 0 334.331 2.612 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(CC(F)(F)F)C(=O)C2)c1O ZINC000809711040 1282421651 /nfs/dbraw/zinc/42/16/51/1282421651.db2.gz HVHQZCFRILYFLE-UHFFFAOYSA-N 0 0 336.741 2.561 10 10 EFCERN CC(C)n1cc(CNCc2cc(Br)ccc2O)nn1 ZINC000809713098 1282422748 /nfs/dbraw/zinc/42/27/48/1282422748.db2.gz INFHTBASUJRTJW-UHFFFAOYSA-N 0 0 325.210 2.617 10 10 EFCERN Cc1cc(CCNC(=O)NCC2(CO)CC2)c(C)n1-c1ccccc1 ZINC000747580850 1282613903 /nfs/dbraw/zinc/61/39/03/1282613903.db2.gz JGHHNXRPGKBLAM-UHFFFAOYSA-N 0 0 341.455 2.708 10 10 EFCERN COC(=O)CN(Cc1oc(C)nc1C)Cc1cc(Cl)ccc1O ZINC000809961471 1282692224 /nfs/dbraw/zinc/69/22/24/1282692224.db2.gz ULKYTSJJBPRDDY-UHFFFAOYSA-N 0 0 338.791 2.826 10 10 EFCERN CN(C)c1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000810000704 1282746950 /nfs/dbraw/zinc/74/69/50/1282746950.db2.gz KTZQLMZLQAKZES-GFCCVEGCSA-N 0 0 330.350 2.932 10 10 EFCERN COCC[C@@H](COC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000810174736 1283003336 /nfs/dbraw/zinc/00/33/36/1283003336.db2.gz YLBZRPFYUGOFRH-LBPRGKRZSA-N 0 0 332.238 2.604 10 10 EFCERN CC(=O)c1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1 ZINC001132834983 1284364192 /nfs/dbraw/zinc/36/41/92/1284364192.db2.gz WKLJUAOJGCFXEZ-UHFFFAOYSA-N 0 0 334.379 2.961 10 10 EFCERN CC1(C2CC2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000811855443 1284693931 /nfs/dbraw/zinc/69/39/31/1284693931.db2.gz SYSNLZTYBNKJHC-UHFFFAOYSA-N 0 0 331.372 2.942 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000812047346 1284836865 /nfs/dbraw/zinc/83/68/65/1284836865.db2.gz GXMCNLPDLDWAEW-KXBFYZLASA-N 0 0 341.455 2.982 10 10 EFCERN CCC(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000812561183 1285248686 /nfs/dbraw/zinc/24/86/86/1285248686.db2.gz GAECMZOVUXKBMD-UHFFFAOYSA-N 0 0 328.368 2.679 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)C2(C)C)cc1F ZINC000812885404 1285486774 /nfs/dbraw/zinc/48/67/74/1285486774.db2.gz PTPVTTYCEXKGJO-INIZCTEOSA-N 0 0 337.439 2.727 10 10 EFCERN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001171717190 1285738633 /nfs/dbraw/zinc/73/86/33/1285738633.db2.gz MRRXESGDOBXJCY-GFCCVEGCSA-N 0 0 330.340 2.947 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1O ZINC001171723633 1285741665 /nfs/dbraw/zinc/74/16/65/1285741665.db2.gz VGQQRTZAMKPERX-DIFFPNOSSA-N 0 0 328.343 2.902 10 10 EFCERN Cc1cc(F)cc(-n2cc(C(=O)N[C@H](C)c3ccccc3O)nn2)c1 ZINC001171723565 1285741800 /nfs/dbraw/zinc/74/18/00/1285741800.db2.gz UXVHJJOASXJKJY-GFCCVEGCSA-N 0 0 340.358 2.911 10 10 EFCERN Cc1sc2ncc(C(=O)N[C@@H](C)c3ccccc3O)c(=O)n2c1C ZINC001171731109 1285747320 /nfs/dbraw/zinc/74/73/20/1285747320.db2.gz YFKCYQZLIZEYIW-VIFPVBQESA-N 0 0 343.408 2.569 10 10 EFCERN COc1c(C(=O)NCc2c(O)ccc3ccccc32)c(C)nn1C ZINC001179033437 1289029651 /nfs/dbraw/zinc/02/96/51/1289029651.db2.gz WTELEJZKQPMLDT-UHFFFAOYSA-N 0 0 325.368 2.526 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000813387366 1285850366 /nfs/dbraw/zinc/85/03/66/1285850366.db2.gz CVHZMPYUWLXAGN-GOSISDBHSA-N 0 0 348.487 2.669 10 10 EFCERN CN1CCCc2cc(CNC(=O)C[C@H](O)Cc3ccccc3)ccc21 ZINC000813430448 1285905372 /nfs/dbraw/zinc/90/53/72/1285905372.db2.gz PABUUSPSNVWTBX-LJQANCHMSA-N 0 0 338.451 2.679 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](O)Cc1ccccc1 ZINC000813454979 1285918441 /nfs/dbraw/zinc/91/84/41/1285918441.db2.gz FTLFNWULOPEJIP-LJQANCHMSA-N 0 0 326.440 2.671 10 10 EFCERN COC(C)(C)c1nc(C)c(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000813490259 1285947026 /nfs/dbraw/zinc/94/70/26/1285947026.db2.gz HZYXRLUACNTBEQ-UHFFFAOYSA-N 0 0 336.413 2.674 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000813512860 1285957232 /nfs/dbraw/zinc/95/72/32/1285957232.db2.gz ABPTXUHZIGTLPR-NSHDSACASA-N 0 0 338.363 2.713 10 10 EFCERN Cc1nc2ccc(S(=O)(=O)NCc3ccccc3O)cc2s1 ZINC000813672187 1286058180 /nfs/dbraw/zinc/05/81/80/1286058180.db2.gz XAPZMFZSPGQUAV-UHFFFAOYSA-N 0 0 334.422 2.789 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cccc(O)c32)cc1F ZINC000814671611 1286912526 /nfs/dbraw/zinc/91/25/26/1286912526.db2.gz BOTUOERLAKAPCP-CQSZACIVSA-N 0 0 328.387 2.944 10 10 EFCERN CCn1nnc(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822818641 1289121519 /nfs/dbraw/zinc/12/15/19/1289121519.db2.gz HUHVSPAODATCQN-UHFFFAOYSA-N 0 0 327.432 2.527 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCNC(=O)CC1 ZINC000814825715 1287059831 /nfs/dbraw/zinc/05/98/31/1287059831.db2.gz KNWCBCQSMWVONC-QGZVFWFLSA-N 0 0 343.471 2.552 10 10 EFCERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000871479241 1287102391 /nfs/dbraw/zinc/10/23/91/1287102391.db2.gz ZXXUTVQJYCVFEL-RNVIBTMRSA-N 0 0 333.384 2.515 10 10 EFCERN O=C(Cc1coc(-c2cccs2)n1)NCc1cccc(O)c1O ZINC001176565652 1288041517 /nfs/dbraw/zinc/04/15/17/1288041517.db2.gz NSPUZRPAIBODFF-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(O)c1O ZINC001176566428 1288042536 /nfs/dbraw/zinc/04/25/36/1288042536.db2.gz WXAGOUAORBZTTK-UHFFFAOYSA-N 0 0 345.355 2.515 10 10 EFCERN CC1(C)CCc2[nH]c(=O)c(C(=O)NCc3cc(O)ccc3O)cc2C1 ZINC001176747933 1288093751 /nfs/dbraw/zinc/09/37/51/1288093751.db2.gz FTWZERMEECPZQC-UHFFFAOYSA-N 0 0 342.395 2.643 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1csc(-c2ccc(O)cc2)n1 ZINC001176748050 1288093910 /nfs/dbraw/zinc/09/39/10/1288093910.db2.gz IMPZLTOKGLZVJJ-UHFFFAOYSA-N 0 0 342.376 2.857 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnccc1Nc1ccccc1 ZINC001176755134 1288120368 /nfs/dbraw/zinc/12/03/68/1288120368.db2.gz MQQADVCOUIHGQD-UHFFFAOYSA-N 0 0 335.363 2.588 10 10 EFCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1cc(O)ccc1O ZINC001176754937 1288120759 /nfs/dbraw/zinc/12/07/59/1288120759.db2.gz JCTMKNCXVZVXIT-JTQLQIEISA-N 0 0 331.393 2.611 10 10 EFCERN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573716 1288212765 /nfs/dbraw/zinc/21/27/65/1288212765.db2.gz IRGQLRAMRPTBBY-VXGBXAGGSA-N 0 0 345.798 2.727 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573714 1288212921 /nfs/dbraw/zinc/21/29/21/1288212921.db2.gz IRGQLRAMRPTBBY-NWDGAFQWSA-N 0 0 345.798 2.727 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC001135642458 1288222200 /nfs/dbraw/zinc/22/22/00/1288222200.db2.gz HCRUJBDRKGFWKQ-QGZVFWFLSA-N 0 0 332.831 2.798 10 10 EFCERN CO[C@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000816654232 1288229463 /nfs/dbraw/zinc/22/94/63/1288229463.db2.gz YRPRVNQSHRMTBY-MFKMUULPSA-N 0 0 342.233 2.976 10 10 EFCERN CON1CCC(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001135800875 1288392646 /nfs/dbraw/zinc/39/26/46/1288392646.db2.gz SVDVNYQIYSWKAA-UHFFFAOYSA-N 0 0 345.487 2.909 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000817129325 1288429594 /nfs/dbraw/zinc/42/95/94/1288429594.db2.gz GLBKSWYZQQTRIB-VSKVDJIOSA-N 0 0 348.399 2.770 10 10 EFCERN Cc1[nH]nc(NC(=O)C=Cc2ccc(O)c(O)c2)c1-c1cccnc1 ZINC001177470272 1288433804 /nfs/dbraw/zinc/43/38/04/1288433804.db2.gz FKFJTQRBWDJLOE-FNORWQNLSA-N 0 0 336.351 2.843 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000817170532 1288448307 /nfs/dbraw/zinc/44/83/07/1288448307.db2.gz GPJZAJSAVMFTHA-MPGHIAIKSA-N 0 0 333.476 2.547 10 10 EFCERN CC(=O)C(=O)COC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817259082 1288494859 /nfs/dbraw/zinc/49/48/59/1288494859.db2.gz VORWKZMWDYJJPQ-UHFFFAOYSA-N 0 0 325.094 2.787 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cnn(-c3ccncc3)c2)cc1 ZINC001135914850 1288592616 /nfs/dbraw/zinc/59/26/16/1288592616.db2.gz RZZMRLDRVQFWTP-UHFFFAOYSA-N 0 0 335.411 2.606 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817428847 1288604853 /nfs/dbraw/zinc/60/48/53/1288604853.db2.gz YNDDZNIWDDYTJV-BZUAXINKSA-N 0 0 332.419 2.715 10 10 EFCERN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccnn1C ZINC000817604724 1288679857 /nfs/dbraw/zinc/67/98/57/1288679857.db2.gz ZYMLPRAHUURULH-MRVPVSSYSA-N 0 0 328.199 2.852 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2cn(C)nc2Cl)C2CC2)cc1 ZINC000822415888 1288977753 /nfs/dbraw/zinc/97/77/53/1288977753.db2.gz HMUIDMCEDYNXPC-UHFFFAOYSA-N 0 0 332.835 2.944 10 10 EFCERN O=C(COc1ccc2c(c1)CCCC2)NCc1c(O)cccc1O ZINC001178912915 1288980076 /nfs/dbraw/zinc/98/00/76/1288980076.db2.gz ZECMHXHLKPCVAP-UHFFFAOYSA-N 0 0 327.380 2.672 10 10 EFCERN COc1ccc2[nH]c(C)c(C(=O)NCc3c(O)cccc3O)c2c1 ZINC001178912926 1288980279 /nfs/dbraw/zinc/98/02/79/1288980279.db2.gz ZQFRQJSUXJEFGP-UHFFFAOYSA-N 0 0 326.352 2.826 10 10 EFCERN CC[C@@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823004404 1289182445 /nfs/dbraw/zinc/18/24/45/1289182445.db2.gz RECJZQIOZZPOJV-CQSZACIVSA-N 0 0 342.386 2.534 10 10 EFCERN CC1(C)C[C@@H](O)c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2O1 ZINC001179618363 1289200168 /nfs/dbraw/zinc/20/01/68/1289200168.db2.gz IGQRLZAHOBHFKP-MRXNPFEDSA-N 0 0 343.379 2.874 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cncc(F)c3)C2)cc1 ZINC000823194001 1289235295 /nfs/dbraw/zinc/23/52/95/1289235295.db2.gz HBCARZRJHQAWHC-CYBMUJFWSA-N 0 0 330.363 2.630 10 10 EFCERN C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548788 1289370556 /nfs/dbraw/zinc/37/05/56/1289370556.db2.gz WPUVXYMWMSKJMK-HZPDHXFCSA-N 0 0 345.487 2.978 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000823688666 1289413405 /nfs/dbraw/zinc/41/34/05/1289413405.db2.gz OUVUPTTYSOFJOI-ALKREAHSSA-N 0 0 343.471 2.867 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3ccc4c(c3)NCC4)ccc21 ZINC000823747966 1289436282 /nfs/dbraw/zinc/43/62/82/1289436282.db2.gz OYPWPCXJNPXGBF-UHFFFAOYSA-N 0 0 335.451 2.896 10 10 EFCERN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nccn1C ZINC000823816104 1289451347 /nfs/dbraw/zinc/45/13/47/1289451347.db2.gz PASLWDGDAGQTJT-AWEZNQCLSA-N 0 0 341.459 2.921 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1nccn1C ZINC000823816433 1289452356 /nfs/dbraw/zinc/45/23/56/1289452356.db2.gz SVXLFJJBQVGHET-CQSZACIVSA-N 0 0 329.448 2.779 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000824234673 1289577740 /nfs/dbraw/zinc/57/77/40/1289577740.db2.gz OOCCFGFILPZXST-OAHLLOKOSA-N 0 0 326.444 2.629 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000824234671 1289578209 /nfs/dbraw/zinc/57/82/09/1289578209.db2.gz OOCCFGFILPZXST-HNNXBMFYSA-N 0 0 326.444 2.629 10 10 EFCERN COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136853992 1289604307 /nfs/dbraw/zinc/60/43/07/1289604307.db2.gz WTPKPYPEURBHBE-UHFFFAOYSA-N 0 0 335.743 2.719 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817535007 1289948679 /nfs/dbraw/zinc/94/86/79/1289948679.db2.gz PRLCGUJDRQKMSH-GUDVDZBRSA-N 0 0 342.483 2.948 10 10 EFCERN Cc1nccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000795588104 1290638730 /nfs/dbraw/zinc/63/87/30/1290638730.db2.gz OJBGFCWCBPIGNU-UHFFFAOYSA-N 0 0 340.408 2.772 10 10 EFCERN CCOc1ccc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)c(O)c1 ZINC000795604776 1290646183 /nfs/dbraw/zinc/64/61/83/1290646183.db2.gz KHLORRHLPAIFLQ-KRWDZBQOSA-N 0 0 328.412 2.758 10 10 EFCERN CCc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000775029574 1290972233 /nfs/dbraw/zinc/97/22/33/1290972233.db2.gz POOLJINZYYESRR-UHFFFAOYSA-N 0 0 337.401 2.660 10 10 EFCERN COc1cc(N(C)C[C@H](OC)C2CCOCC2)cc(OC)c1OC ZINC000877179497 1291155999 /nfs/dbraw/zinc/15/59/99/1291155999.db2.gz CVZBRDDMUXHIHM-KRWDZBQOSA-N 0 0 339.432 2.590 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2Cc3cncnc3[C@@H](C)C2)cc1OC ZINC001187438745 1291170061 /nfs/dbraw/zinc/17/00/61/1291170061.db2.gz ZQYNIWXTLHNULE-JTQLQIEISA-N 0 0 330.344 2.526 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1OC ZINC000795691401 1291201575 /nfs/dbraw/zinc/20/15/75/1291201575.db2.gz LBMDHVJWKQGUHX-OTYXRUKQSA-N 0 0 335.322 2.561 10 10 EFCERN O=[N+]([O-])c1cnc(NCc2c(O)cccc2O)c(Br)c1 ZINC001187717119 1291218942 /nfs/dbraw/zinc/21/89/42/1291218942.db2.gz QNWMIJOGXGICDS-UHFFFAOYSA-N 0 0 340.133 2.776 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@](C)(C(F)(F)F)C2)c1O ZINC000879505251 1292161255 /nfs/dbraw/zinc/16/12/55/1292161255.db2.gz WTRBEGKASHTQDB-AWEZNQCLSA-N 0 0 335.297 2.887 10 10 EFCERN CC[C@@H](C)CS(=O)(=O)NCc1cc(Br)ccc1O ZINC000796190179 1292384967 /nfs/dbraw/zinc/38/49/67/1292384967.db2.gz BIIYDSQOOGCMHQ-SECBINFHSA-N 0 0 336.251 2.620 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CC(C)(C)CO1 ZINC001191682777 1292612435 /nfs/dbraw/zinc/61/24/35/1292612435.db2.gz SMSQMVAFXUODGC-CQSZACIVSA-N 0 0 341.835 2.836 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1nc2ccccc2o1 ZINC000096011689 1292672704 /nfs/dbraw/zinc/67/27/04/1292672704.db2.gz QPOUTZDBEVYLLZ-BCPZQOPPSA-N 0 0 338.363 3.000 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)nn1C ZINC000881242830 1292795294 /nfs/dbraw/zinc/79/52/94/1292795294.db2.gz DTOKGBUXTLGPRB-UHFFFAOYSA-N 0 0 332.404 2.969 10 10 EFCERN COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(=O)c3sccc3[n-]2)c1 ZINC001192780374 1293037626 /nfs/dbraw/zinc/03/76/26/1293037626.db2.gz FEIROAZIFKMRTP-SECBINFHSA-N 0 0 331.397 2.962 10 10 EFCERN CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)cc(C)c1O ZINC000775647813 1293858653 /nfs/dbraw/zinc/85/86/53/1293858653.db2.gz AYHDHNNMQLKRHZ-ZDUSSCGKSA-N 0 0 329.849 2.835 10 10 EFCERN Cc1cccc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1O ZINC000775652245 1293914840 /nfs/dbraw/zinc/91/48/40/1293914840.db2.gz WATCEGDYSLNGMH-UHFFFAOYSA-N 0 0 346.377 2.937 10 10 EFCERN COCCNC(=O)/C=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000096865478 1294576032 /nfs/dbraw/zinc/57/60/32/1294576032.db2.gz ORHBGLIVJVGQIB-DAXSKMNVSA-N 0 0 342.395 2.599 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(OC)n(C)n2)cc1 ZINC000775920204 1295326030 /nfs/dbraw/zinc/32/60/30/1295326030.db2.gz GKVUJWHDBXQAES-UHFFFAOYSA-N 0 0 345.447 2.939 10 10 EFCERN [O-]c1c(Br)cccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124376 1295528610 /nfs/dbraw/zinc/52/86/10/1295528610.db2.gz ZNMSJUVQCNGQQG-HNNXBMFYSA-N 0 0 325.250 2.730 10 10 EFCERN CC(C)(C)C[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O ZINC000843311646 1295595709 /nfs/dbraw/zinc/59/57/09/1295595709.db2.gz ROHYNOMHTNOQGS-JTQLQIEISA-N 0 0 327.475 2.982 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2ccc(F)nc2)c2ccccc21 ZINC000777468535 1296031090 /nfs/dbraw/zinc/03/10/90/1296031090.db2.gz TZQATZSPQQMVDD-NTEUORMPSA-N 0 0 326.327 2.671 10 10 EFCERN CCn1nc(C)c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000924795845 1296784500 /nfs/dbraw/zinc/78/45/00/1296784500.db2.gz QOOGRJOTQPPKFU-HUUCEWRRSA-N 0 0 343.475 2.855 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccn1 ZINC001297438773 1323216738 /nfs/dbraw/zinc/21/67/38/1323216738.db2.gz DANOGUPAFROWPW-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N3CCC[C@@H]4C[C@@]43C2=O)cc1Cl ZINC000927217449 1297002574 /nfs/dbraw/zinc/00/25/74/1297002574.db2.gz WLKUHNUFPIBFFS-UOWDBTKRSA-N 0 0 326.183 2.897 10 10 EFCERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928710370 1297125395 /nfs/dbraw/zinc/12/53/95/1297125395.db2.gz CGPNTNTUMSBLSE-AWEZNQCLSA-N 0 0 336.407 2.575 10 10 EFCERN CSc1nc(C)c(CCC(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000928709571 1297126303 /nfs/dbraw/zinc/12/63/03/1297126303.db2.gz JPTSNXAOVHQPKA-UHFFFAOYSA-N 0 0 349.431 2.909 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000929404670 1297179222 /nfs/dbraw/zinc/17/92/22/1297179222.db2.gz LEDDUTIQQRLUPE-UHFFFAOYSA-N 0 0 330.368 2.931 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000776248308 1297273027 /nfs/dbraw/zinc/27/30/27/1297273027.db2.gz XTNCHXONVOWIRJ-XKQJLSEDSA-N 0 0 346.475 2.547 10 10 EFCERN CCC(C)(C)NC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000042290077 1297697672 /nfs/dbraw/zinc/69/76/72/1297697672.db2.gz HEVUQOUIZILLHB-OAHLLOKOSA-N 0 0 333.476 2.511 10 10 EFCERN CN1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O ZINC000779205038 1298055638 /nfs/dbraw/zinc/05/56/38/1298055638.db2.gz OMXUVOHZXVXUHA-UHFFFAOYSA-N 0 0 337.383 2.772 10 10 EFCERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779533833 1298328745 /nfs/dbraw/zinc/32/87/45/1298328745.db2.gz BOOJIWGTODCQLK-RMKKGBGRSA-N 0 0 339.391 2.962 10 10 EFCERN Cc1nnccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000776486047 1299302546 /nfs/dbraw/zinc/30/25/46/1299302546.db2.gz FINBASITSNVGFU-CYBMUJFWSA-N 0 0 341.415 2.504 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3ccco3)C2)cc1 ZINC000851954875 1299483796 /nfs/dbraw/zinc/48/37/96/1299483796.db2.gz QFYLRQCLNDEFBD-CABCVRRESA-N 0 0 343.427 2.797 10 10 EFCERN C[C@@]12COC[C@]1(C)CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000851986738 1299493070 /nfs/dbraw/zinc/49/30/70/1299493070.db2.gz GCYFQFAYAHKEBQ-BGYRXZFFSA-N 0 0 343.471 2.855 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCc2cncc(C)n2)cc1 ZINC000851987087 1299493666 /nfs/dbraw/zinc/49/36/66/1299493666.db2.gz KKAXHXUPKAIBCD-UHFFFAOYSA-N 0 0 341.459 2.673 10 10 EFCERN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000851990524 1299495284 /nfs/dbraw/zinc/49/52/84/1299495284.db2.gz SZEKDFWTIFPBMY-GOSISDBHSA-N 0 0 349.450 2.896 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(C)(C)OC)C2)cc1 ZINC000852146665 1299564428 /nfs/dbraw/zinc/56/44/28/1299564428.db2.gz HTQIIWXMNAMRKC-GJZGRUSLSA-N 0 0 349.475 2.777 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ncc(C)s3)C2)cc1 ZINC000852146948 1299566585 /nfs/dbraw/zinc/56/65/85/1299566585.db2.gz WXHKTBLRIXTPMC-CYBMUJFWSA-N 0 0 346.456 2.538 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](SC)C3)C2)cc1 ZINC000852154154 1299569435 /nfs/dbraw/zinc/56/94/35/1299569435.db2.gz NTOLUCOPQLXWDM-JKIFEVAISA-N 0 0 349.500 2.857 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCC(F)(F)F)C2)cc1 ZINC000852159130 1299571372 /nfs/dbraw/zinc/57/13/72/1299571372.db2.gz OYEXDRNVMNWLCO-LLVKDONJSA-N 0 0 331.338 2.526 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000852211445 1299599710 /nfs/dbraw/zinc/59/97/10/1299599710.db2.gz KZISGOVCLDENLQ-CHWSQXEVSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000852225659 1299605897 /nfs/dbraw/zinc/60/58/97/1299605897.db2.gz CBYMMQWAMAJNGY-HUUCEWRRSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000852260830 1299620388 /nfs/dbraw/zinc/62/03/88/1299620388.db2.gz CSBRJLDOXWLSCG-GFCCVEGCSA-N 0 0 346.406 2.856 10 10 EFCERN C[C@@H](NC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000852260920 1299621098 /nfs/dbraw/zinc/62/10/98/1299621098.db2.gz GQHRFTNEGXEQIB-PXAZEXFGSA-N 0 0 341.402 2.879 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCC3=C(CCC(=O)N3)C2)c1O ZINC000852299128 1299637915 /nfs/dbraw/zinc/63/79/15/1299637915.db2.gz MROJTIMAUVFZMU-UHFFFAOYSA-N 0 0 334.803 2.618 10 10 EFCERN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000852321699 1299654999 /nfs/dbraw/zinc/65/49/99/1299654999.db2.gz QHTXQIYHYWOCSL-MRXNPFEDSA-N 0 0 341.835 2.779 10 10 EFCERN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000852321697 1299655603 /nfs/dbraw/zinc/65/56/03/1299655603.db2.gz QHTXQIYHYWOCSL-INIZCTEOSA-N 0 0 341.835 2.779 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCC3(F)CCC3)C2)cc1 ZINC000852339026 1299666378 /nfs/dbraw/zinc/66/63/78/1299666378.db2.gz CZZFBTCGLXDHEL-AWEZNQCLSA-N 0 0 335.423 2.855 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](CC(C)C)OC)C2)cc1 ZINC000852384600 1299683755 /nfs/dbraw/zinc/68/37/55/1299683755.db2.gz FGIPMPLWAQJTMN-YJBOKZPZSA-N 0 0 349.475 2.634 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000852384219 1299684086 /nfs/dbraw/zinc/68/40/86/1299684086.db2.gz AJUPZEOFRAAINS-RYQLBKOJSA-N 0 0 345.487 2.670 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3C3CCC3)C2)cc1 ZINC000852388177 1299685671 /nfs/dbraw/zinc/68/56/71/1299685671.db2.gz KDLRZHKNPSCDFI-FHLIZLRMSA-N 0 0 329.444 2.762 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1 ZINC000852450753 1299709302 /nfs/dbraw/zinc/70/93/02/1299709302.db2.gz UROWMXHYCVFOIZ-MLGOLLRUSA-N 0 0 339.386 2.618 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@]2(C)CC2(F)F)cc1 ZINC000852579746 1299767218 /nfs/dbraw/zinc/76/72/18/1299767218.db2.gz BSTUWEFKCYDZAT-MRXNPFEDSA-N 0 0 341.402 2.818 10 10 EFCERN C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CC1(F)F ZINC000852581897 1299768754 /nfs/dbraw/zinc/76/87/54/1299768754.db2.gz NTLRHKYHVWDGOU-LBPRGKRZSA-N 0 0 349.175 2.999 10 10 EFCERN C[C@H]1CCC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000852582016 1299769159 /nfs/dbraw/zinc/76/91/59/1299769159.db2.gz YFYUCMBWDOLVGN-WMLDXEAASA-N 0 0 331.460 2.826 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC[C@@H](C)O2)cc1 ZINC000852582640 1299770264 /nfs/dbraw/zinc/77/02/64/1299770264.db2.gz XVTOCXLCJJVGIV-QAPCUYQASA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[C@@H](C)O2)cc1 ZINC000852582638 1299770394 /nfs/dbraw/zinc/77/03/94/1299770394.db2.gz XVTOCXLCJJVGIV-CRAIPNDOSA-N 0 0 349.475 2.730 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2Cc3c[nH]nc3CC(C)(C)C2)cc1OC ZINC000852968250 1299951875 /nfs/dbraw/zinc/95/18/75/1299951875.db2.gz PBHGFGMDGNQJJF-UHFFFAOYSA-N 0 0 346.387 2.924 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000086978426 1299994159 /nfs/dbraw/zinc/99/41/59/1299994159.db2.gz AHPHGUXPHBMQEB-UHFFFAOYSA-N 0 0 346.377 2.865 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cccnc3)C2)cc1 ZINC000853242390 1300063408 /nfs/dbraw/zinc/06/34/08/1300063408.db2.gz YDXISKHKLMORMS-HOCLYGCPSA-N 0 0 340.427 2.729 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000853244375 1300064968 /nfs/dbraw/zinc/06/49/68/1300064968.db2.gz KAVQTPAXOFLCOE-AWEZNQCLSA-N 0 0 345.365 2.615 10 10 EFCERN C[C@H](O)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000853244476 1300065133 /nfs/dbraw/zinc/06/51/33/1300065133.db2.gz MNEPSFPWJPKMHU-KBXCAEBGSA-N 0 0 327.428 2.674 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000853456602 1300121373 /nfs/dbraw/zinc/12/13/73/1300121373.db2.gz MJTDJJFLMKKYMB-FQEVSTJZSA-N 0 0 345.487 2.979 10 10 EFCERN COc1ccc(N2CCCN(CN3CC[C@H](C(C)C)C3=O)CC2)cc1 ZINC000853490950 1300133931 /nfs/dbraw/zinc/13/39/31/1300133931.db2.gz JXCHBAULXALXJP-LJQANCHMSA-N 0 0 345.487 2.669 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc(Br)cn3)C2)cc1 ZINC000853758202 1300260402 /nfs/dbraw/zinc/26/04/02/1300260402.db2.gz BISZSHLGARMFQE-LBPRGKRZSA-N 0 0 349.232 2.939 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nn4cc(C)nc4s3)C2)cc1 ZINC000853758233 1300261272 /nfs/dbraw/zinc/26/12/72/1300261272.db2.gz BOIZWMFVNTZQSH-LBPRGKRZSA-N 0 0 329.429 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncncc3Br)C2)cc1 ZINC000853758534 1300261337 /nfs/dbraw/zinc/26/13/37/1300261337.db2.gz GBPXFAJCYLMIGI-NSHDSACASA-N 0 0 349.232 2.939 10 10 EFCERN CCc1nn(C)c(N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-] ZINC000853759594 1300262753 /nfs/dbraw/zinc/26/27/53/1300262753.db2.gz XLAPGLNQSAXNKS-GFCCVEGCSA-N 0 0 345.403 2.590 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nccc(C)c3[N+](=O)[O-])C2)cc1 ZINC000853759052 1300262867 /nfs/dbraw/zinc/26/28/67/1300262867.db2.gz OBQMCDOPOYWULV-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccnc4c3c(C)nn4C)C2)cc1 ZINC000853761335 1300263302 /nfs/dbraw/zinc/26/33/02/1300263302.db2.gz SDPMHOWTCZCUBB-CQSZACIVSA-N 0 0 337.427 2.976 10 10 EFCERN COC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853760604 1300263361 /nfs/dbraw/zinc/26/33/61/1300263361.db2.gz LBZOSFJIXMKIQD-AWEZNQCLSA-N 0 0 327.384 2.568 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nnc(-c4ccon4)s3)C2)cc1 ZINC000853761201 1300264015 /nfs/dbraw/zinc/26/40/15/1300264015.db2.gz QZKYMXRSXKFUNU-NSHDSACASA-N 0 0 343.412 2.893 10 10 EFCERN C[C@H]1COC2(CCC2)CN1C(=O)NCCCSc1nccs1 ZINC000853855688 1300311265 /nfs/dbraw/zinc/31/12/65/1300311265.db2.gz DANKLHDJHHQNNZ-LBPRGKRZSA-N 0 0 341.502 2.978 10 10 EFCERN Cc1cc(Cc2nc(C[S@](C)=O)no2)c(C)n1-c1ccccc1 ZINC000854033831 1300397379 /nfs/dbraw/zinc/39/73/79/1300397379.db2.gz XDEJJRQBYCQVKO-QHCPKHFHSA-N 0 0 329.425 2.946 10 10 EFCERN Cc1cc(Cc2nc([C@H](C)NC(N)=O)no2)c(C)n1-c1ccccc1 ZINC000854058515 1300410611 /nfs/dbraw/zinc/41/06/11/1300410611.db2.gz OXSLNQAHYVEPGJ-LBPRGKRZSA-N 0 0 339.399 2.797 10 10 EFCERN Cc1cc(Cc2nc([C@@H](C)NC(N)=O)no2)c(C)n1-c1ccccc1 ZINC000854058514 1300410873 /nfs/dbraw/zinc/41/08/73/1300410873.db2.gz OXSLNQAHYVEPGJ-GFCCVEGCSA-N 0 0 339.399 2.797 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000854177159 1300461954 /nfs/dbraw/zinc/46/19/54/1300461954.db2.gz SEFBKCJVCVNAME-CYJAXWMASA-N 0 0 347.503 2.650 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000854177166 1300462209 /nfs/dbraw/zinc/46/22/09/1300462209.db2.gz SEFBKCJVCVNAME-OLMMMNRUSA-N 0 0 347.503 2.650 10 10 EFCERN COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000854239100 1300482391 /nfs/dbraw/zinc/48/23/91/1300482391.db2.gz AZBSCSIHYWDEJW-INIZCTEOSA-N 0 0 326.396 2.762 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)=C[C@@H](C)C3)C2)cc1 ZINC000854296621 1300504999 /nfs/dbraw/zinc/50/49/99/1300504999.db2.gz FIAKKQMEQQOLIX-ZBFHGGJFSA-N 0 0 329.444 2.882 10 10 EFCERN CCC[C@]1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854297942 1300505415 /nfs/dbraw/zinc/50/54/15/1300505415.db2.gz TWOLJUQIDCTCIE-KXBFYZLASA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)C[C@@H](C)C3)C2)cc1 ZINC000854303177 1300506547 /nfs/dbraw/zinc/50/65/47/1300506547.db2.gz SYGDKYUOAPIEFC-OAGGEKHMSA-N 0 0 331.460 2.961 10 10 EFCERN COCCN(CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301133 1300506582 /nfs/dbraw/zinc/50/65/82/1300506582.db2.gz IZIQSORODOMFIZ-INIZCTEOSA-N 0 0 349.475 2.588 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccnn2C2CCOCC2)cc1 ZINC000854325075 1300521171 /nfs/dbraw/zinc/52/11/71/1300521171.db2.gz XLYHJBXWRBYPAW-UHFFFAOYSA-N 0 0 342.443 2.573 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC000854385803 1300543329 /nfs/dbraw/zinc/54/33/29/1300543329.db2.gz LTYFDLCIOYTMGP-LJQANCHMSA-N 0 0 330.403 2.570 10 10 EFCERN Cc1cc(CC(=O)N[C@](C)(C(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000854425212 1300562721 /nfs/dbraw/zinc/56/27/21/1300562721.db2.gz ZHOZRXUITWWJSJ-FQEVSTJZSA-N 0 0 341.455 2.653 10 10 EFCERN CO[C@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000854442291 1300568848 /nfs/dbraw/zinc/56/88/48/1300568848.db2.gz MQNHYQFEMLZBGU-CABZTGNLSA-N 0 0 328.206 2.586 10 10 EFCERN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000854442001 1300569209 /nfs/dbraw/zinc/56/92/09/1300569209.db2.gz CRBOZANIXDIKGU-HZMBPMFUSA-N 0 0 342.233 2.976 10 10 EFCERN C[C@H](CC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000854442003 1300569341 /nfs/dbraw/zinc/56/93/41/1300569341.db2.gz CRBOZANIXDIKGU-QMTHXVAHSA-N 0 0 342.233 2.976 10 10 EFCERN COCC[C@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854529440 1300611836 /nfs/dbraw/zinc/61/18/36/1300611836.db2.gz UYLKJCQPJLDPCM-GOSISDBHSA-N 0 0 344.455 2.804 10 10 EFCERN Cc1cc(CC(=O)N2Cc3cncnc3C2)c(C)n1-c1ccccc1 ZINC000854759989 1300690229 /nfs/dbraw/zinc/69/02/29/1300690229.db2.gz RZZGJFJQISUWNU-UHFFFAOYSA-N 0 0 332.407 2.969 10 10 EFCERN Cc1cc(CC(=O)N2CCO[C@H](CF)C2)c(C)n1-c1ccccc1 ZINC000854930590 1300739226 /nfs/dbraw/zinc/73/92/26/1300739226.db2.gz FVEMGYBKTVYXGX-GOSISDBHSA-N 0 0 330.403 2.834 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000854980452 1300755409 /nfs/dbraw/zinc/75/54/09/1300755409.db2.gz BMOLPESBZAUUDE-FCEWJHQRSA-N 0 0 346.471 2.843 10 10 EFCERN CCOC1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854981395 1300755625 /nfs/dbraw/zinc/75/56/25/1300755625.db2.gz QRZWIDUVIQNJKT-OAHLLOKOSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Cc2ccncc2Cl)cc1 ZINC000855020124 1300766838 /nfs/dbraw/zinc/76/68/38/1300766838.db2.gz HFLKGWYYUXHDTI-UHFFFAOYSA-N 0 0 347.846 2.881 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCc4cccnc43)C2)cc1 ZINC000855223056 1300844596 /nfs/dbraw/zinc/84/45/96/1300844596.db2.gz BLWUNNHHFSMKKT-YJBOKZPZSA-N 0 0 337.423 2.515 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc[nH]c3C3CC3)C2)cc1 ZINC000855223423 1300844875 /nfs/dbraw/zinc/84/48/75/1300844875.db2.gz GVDPVKXGNMEQFX-CQSZACIVSA-N 0 0 325.412 2.909 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)cc1 ZINC000855223644 1300844889 /nfs/dbraw/zinc/84/48/89/1300844889.db2.gz BXFRZDBTWMSQIY-LPHOPBHVSA-N 0 0 342.414 2.971 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)n3ccc(C)n3)C2)cc1 ZINC000855223073 1300845044 /nfs/dbraw/zinc/84/50/44/1300845044.db2.gz DWWFKVRVKMAXRQ-HZPDHXFCSA-N 0 0 342.443 2.546 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(O)cccc3F)C2)cc1 ZINC000855224540 1300847312 /nfs/dbraw/zinc/84/73/12/1300847312.db2.gz FUXNEEXHVMNZMN-GFCCVEGCSA-N 0 0 330.359 2.549 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000855224372 1300847473 /nfs/dbraw/zinc/84/74/73/1300847473.db2.gz FSRXZDPIAZOJBM-LERXQTSPSA-N 0 0 328.334 2.589 10 10 EFCERN CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224182 1300847680 /nfs/dbraw/zinc/84/76/80/1300847680.db2.gz FNIGJGBPUUIXAG-JFIYKMOQSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4cnccc4c3)C2)cc1 ZINC000855226809 1300848438 /nfs/dbraw/zinc/84/84/38/1300848438.db2.gz SGWONEZYOVRYHS-MRXNPFEDSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Cc3ccco3)C2)cc1 ZINC000855227292 1300849029 /nfs/dbraw/zinc/84/90/29/1300849029.db2.gz UYXSRTRUHLDJCX-HUUCEWRRSA-N 0 0 328.412 2.862 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)C3CCCC3)C2)cc1 ZINC000855227139 1300849223 /nfs/dbraw/zinc/84/92/23/1300849223.db2.gz TXWIAOJXGZWIJW-MAUKXSAKSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Cc3ccco3)C2)cc1 ZINC000855227288 1300849683 /nfs/dbraw/zinc/84/96/83/1300849683.db2.gz UYXSRTRUHLDJCX-CABCVRRESA-N 0 0 328.412 2.862 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000855230243 1300850253 /nfs/dbraw/zinc/85/02/53/1300850253.db2.gz DOFSPDQSYOANLL-HNNXBMFYSA-N 0 0 338.407 2.907 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)c3cccnc3)C2)cc1 ZINC000855230693 1300850329 /nfs/dbraw/zinc/85/03/29/1300850329.db2.gz HZGNVFDLZOYBIL-DOTOQJQBSA-N 0 0 339.439 2.979 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)cc1 ZINC000855229787 1300851039 /nfs/dbraw/zinc/85/10/39/1300851039.db2.gz QIZGAIKOWWJSOZ-OAHLLOKOSA-N 0 0 344.386 2.608 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccc3O)C2)cc1 ZINC000855229955 1300851483 /nfs/dbraw/zinc/85/14/83/1300851483.db2.gz BADQLYUTXBHLEN-MRXNPFEDSA-N 0 0 340.423 2.729 10 10 EFCERN COc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231295 1300852305 /nfs/dbraw/zinc/85/23/05/1300852305.db2.gz VGRQRZBEASCNGN-GFCCVEGCSA-N 0 0 332.425 2.774 10 10 EFCERN CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000855231769 1300852434 /nfs/dbraw/zinc/85/24/34/1300852434.db2.gz YBRKARJLLGSNRC-OAHLLOKOSA-N 0 0 342.443 2.537 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)c3ccccc3)C2)cc1 ZINC000855231528 1300852839 /nfs/dbraw/zinc/85/28/39/1300852839.db2.gz BPYPAPCOUACFKG-LPHOPBHVSA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(F)cccc3OC)C2)cc1 ZINC000855232561 1300853460 /nfs/dbraw/zinc/85/34/60/1300853460.db2.gz UZHVZIVIAGLCOW-ZDUSSCGKSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000855234446 1300853793 /nfs/dbraw/zinc/85/37/93/1300853793.db2.gz ABMKJZJMVUUBAU-ZDUSSCGKSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3OC)C2)cc1 ZINC000855235087 1300854364 /nfs/dbraw/zinc/85/43/64/1300854364.db2.gz WSKFRRGOYXOORD-CQSZACIVSA-N 0 0 326.396 2.713 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000855237595 1300854998 /nfs/dbraw/zinc/85/49/98/1300854998.db2.gz JCJJFRJEFAKSOQ-KRWDZBQOSA-N 0 0 349.438 2.848 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Oc3ccccc3)C2)cc1 ZINC000855234694 1300855198 /nfs/dbraw/zinc/85/51/98/1300855198.db2.gz KCCPMAGMUJZRGG-HZPDHXFCSA-N 0 0 340.423 2.858 10 10 EFCERN COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855235053 1300855251 /nfs/dbraw/zinc/85/52/51/1300855251.db2.gz VSHWDZPDIDKTKE-OAHLLOKOSA-N 0 0 326.396 2.713 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 ZINC000855448566 1300961286 /nfs/dbraw/zinc/96/12/86/1300961286.db2.gz QKHLWQZXNUPFLY-MRXNPFEDSA-N 0 0 334.366 2.936 10 10 EFCERN Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)c(O)c1O ZINC000855600487 1301030213 /nfs/dbraw/zinc/03/02/13/1301030213.db2.gz KDYZFBDXLMSCMJ-QGZVFWFLSA-N 0 0 343.379 2.993 10 10 EFCERN COC(=O)[C@](C)(CCF)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855908565 1301169172 /nfs/dbraw/zinc/16/91/72/1301169172.db2.gz PVXUJTZPUMUPOS-SFHVURJKSA-N 0 0 347.390 2.510 10 10 EFCERN Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)c(C)n1-c1cc(C)cc(C)c1 ZINC000855933438 1301179314 /nfs/dbraw/zinc/17/93/14/1301179314.db2.gz KWGVEAJOXCFWDO-INIZCTEOSA-N 0 0 339.439 2.719 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@H]2CCOC2)cc1 ZINC000859263087 1301414898 /nfs/dbraw/zinc/41/48/98/1301414898.db2.gz BYERNYQKGHJYCZ-IBGZPJMESA-N 0 0 340.423 2.696 10 10 EFCERN Cc1cc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000859362829 1301444018 /nfs/dbraw/zinc/44/40/18/1301444018.db2.gz MTKBUCABVVVJQT-YJBOKZPZSA-N 0 0 348.468 2.691 10 10 EFCERN COC(=O)[C@H](Cc1ccc(C)cc1)NCc1ccc2c(c1)CCO2 ZINC000795442067 1301507302 /nfs/dbraw/zinc/50/73/02/1301507302.db2.gz ZPZSLVDLALKTKR-SFHVURJKSA-N 0 0 325.408 2.804 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000859766579 1301571344 /nfs/dbraw/zinc/57/13/44/1301571344.db2.gz JURFUTPQUBGVGH-CALCHBBNSA-N 0 0 338.407 2.910 10 10 EFCERN CC[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(=O)OC ZINC000859957571 1301651710 /nfs/dbraw/zinc/65/17/10/1301651710.db2.gz XZXDMDUWSXVRAZ-QGZVFWFLSA-N 0 0 342.395 2.588 10 10 EFCERN CC[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(=O)OC ZINC000859957570 1301652006 /nfs/dbraw/zinc/65/20/06/1301652006.db2.gz XZXDMDUWSXVRAZ-KRWDZBQOSA-N 0 0 342.395 2.588 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)C(C)C ZINC000860089271 1301695707 /nfs/dbraw/zinc/69/57/07/1301695707.db2.gz DKRQBFUAHMTNKR-GOSISDBHSA-N 0 0 328.412 2.653 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)cnc2F)c1 ZINC000861590292 1302162384 /nfs/dbraw/zinc/16/23/84/1302162384.db2.gz SLABDKQJDFAETR-SECBINFHSA-N 0 0 335.335 2.826 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCn2ccnc21 ZINC000861854703 1302222339 /nfs/dbraw/zinc/22/23/39/1302222339.db2.gz QDZSJGOKIRXROZ-QGZVFWFLSA-N 0 0 348.406 2.978 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)C(F)(F)F ZINC000862039605 1302268771 /nfs/dbraw/zinc/26/87/71/1302268771.db2.gz IABZEDVWVXTSQJ-LLVKDONJSA-N 0 0 347.333 2.872 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCC12CC2 ZINC000862039613 1302269056 /nfs/dbraw/zinc/26/90/56/1302269056.db2.gz IKBIMCJVQAVDOM-OAHLLOKOSA-N 0 0 331.412 2.864 10 10 EFCERN Cc1c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccnc1F ZINC000862213990 1302307013 /nfs/dbraw/zinc/30/70/13/1302307013.db2.gz AFBKQRGPXUXTKS-UHFFFAOYSA-N 0 0 329.419 2.998 10 10 EFCERN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCOC2)O1 ZINC000862351758 1302341351 /nfs/dbraw/zinc/34/13/51/1302341351.db2.gz SZZKWRIFHFONLB-KDOFPFPSSA-N 0 0 340.414 2.801 10 10 EFCERN Oc1cc2c(cc1CN[C@@H](c1nccs1)C(F)(F)F)OCO2 ZINC000862432217 1302382371 /nfs/dbraw/zinc/38/23/71/1302382371.db2.gz VUXRTPRDOXDMAK-NSHDSACASA-N 0 0 332.303 2.971 10 10 EFCERN COC(=O)c1ccc(F)c2c1CN(Cc1cc(OC)ccc1O)CC2 ZINC000862468825 1302393040 /nfs/dbraw/zinc/39/30/40/1302393040.db2.gz PKCTVOBPRYRFCP-UHFFFAOYSA-N 0 0 345.370 2.885 10 10 EFCERN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862486271 1302398272 /nfs/dbraw/zinc/39/82/72/1302398272.db2.gz BXPWTTIIXXOLML-GFCCVEGCSA-N 0 0 340.763 2.695 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000862649813 1302432888 /nfs/dbraw/zinc/43/28/88/1302432888.db2.gz HCZGYFFBSYLAJB-ROUUACIJSA-N 0 0 346.402 2.503 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000862649872 1302433202 /nfs/dbraw/zinc/43/32/02/1302433202.db2.gz JEJQKIKEXAEEJZ-OALUTQOASA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000862753797 1302450228 /nfs/dbraw/zinc/45/02/28/1302450228.db2.gz HYLZIAYPZLJTIW-UHFFFAOYSA-N 0 0 334.416 2.764 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000862758561 1302451004 /nfs/dbraw/zinc/45/10/04/1302451004.db2.gz CTUCCGDTOSWPJT-IRXDYDNUSA-N 0 0 344.455 2.746 10 10 EFCERN COc1ccc(N(C[C@H](O)COC[C@H]2CCCO2)C(C)C)cc1F ZINC000246803641 1302467755 /nfs/dbraw/zinc/46/77/55/1302467755.db2.gz MYNRMRNDBRGQLI-JKSUJKDBSA-N 0 0 341.423 2.606 10 10 EFCERN COC[C@]1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCOC1 ZINC000863163863 1302544591 /nfs/dbraw/zinc/54/45/91/1302544591.db2.gz RMOFNOFOKBJSCG-HXUWFJFHSA-N 0 0 342.439 2.763 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](C[C@@H]2CCCOC2)C1=O ZINC000863505499 1302635943 /nfs/dbraw/zinc/63/59/43/1302635943.db2.gz NGUTVROTKJBLSK-KEYYUXOJSA-N 0 0 345.443 2.551 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](C[C@H]2CCCOC2)C1=O ZINC000863505496 1302636693 /nfs/dbraw/zinc/63/66/93/1302636693.db2.gz NGUTVROTKJBLSK-CKEIUWERSA-N 0 0 345.443 2.551 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863762156 1302710718 /nfs/dbraw/zinc/71/07/18/1302710718.db2.gz IVIHQFBPKKFRAU-NVXWUHKLSA-N 0 0 338.407 2.648 10 10 EFCERN NC(=O)CN1C(=O)/C(=C/c2cccc(CC3CCC3)c2)SC1=S ZINC000864357353 1302899073 /nfs/dbraw/zinc/89/90/73/1302899073.db2.gz WXZKHZOFIQDUGD-ZROIWOOFSA-N 0 0 346.477 2.716 10 10 EFCERN NC(=O)CN1C(=O)/C(=C\c2cccc(CC3CCC3)c2)SC1=S ZINC000864357352 1302899522 /nfs/dbraw/zinc/89/95/22/1302899522.db2.gz WXZKHZOFIQDUGD-NTEUORMPSA-N 0 0 346.477 2.716 10 10 EFCERN Cn1nc2c(c1/C=C1\SC(N3CCCCC3)=NC1=O)CCCC2 ZINC000864365469 1302905549 /nfs/dbraw/zinc/90/55/49/1302905549.db2.gz VALIDQXPDWEEMY-PTNGSMBKSA-N 0 0 330.457 2.755 10 10 EFCERN COc1cc(NS(=O)(=O)c2cccc3ncccc32)ccc1O ZINC000797820410 1302933956 /nfs/dbraw/zinc/93/39/56/1302933956.db2.gz WODXMEZFFFCTCF-UHFFFAOYSA-N 0 0 330.365 2.750 10 10 EFCERN CCO[C@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)[C@H]1CCOC1 ZINC000864636587 1303007943 /nfs/dbraw/zinc/00/79/43/1303007943.db2.gz OWEXBWDRRSODGQ-HKUYNNGSSA-N 0 0 348.487 2.933 10 10 EFCERN CNc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000120163777 1303023253 /nfs/dbraw/zinc/02/32/53/1303023253.db2.gz SGHGPBJNUMTCGC-GFCCVEGCSA-N 0 0 346.456 2.512 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000865018059 1303122759 /nfs/dbraw/zinc/12/27/59/1303122759.db2.gz GOJRXHVYLCXSSA-WKBVASEUSA-N 0 0 328.456 2.993 10 10 EFCERN C[C@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000865018020 1303122838 /nfs/dbraw/zinc/12/28/38/1303122838.db2.gz GDGMUFRPHVEKOI-AWEZNQCLSA-N 0 0 346.496 2.844 10 10 EFCERN CCO[C@@H]1COCC[C@@H]1CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027137 1303126268 /nfs/dbraw/zinc/12/62/68/1303126268.db2.gz IEOYELKSIRSGOH-IEBWSBKVSA-N 0 0 348.487 2.933 10 10 EFCERN CCO[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000865027154 1303126390 /nfs/dbraw/zinc/12/63/90/1303126390.db2.gz IPBYZUMAYWUPBC-IBGZPJMESA-N 0 0 348.487 2.933 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\COC1CCOCC1 ZINC000865027445 1303126864 /nfs/dbraw/zinc/12/68/64/1303126864.db2.gz QBXCNIQHOVQQEV-WAYWQWQTSA-N 0 0 346.471 2.853 10 10 EFCERN Cc1cc(CNC(=S)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000865238576 1303198744 /nfs/dbraw/zinc/19/87/44/1303198744.db2.gz AMSFYYARROVCEZ-CYBMUJFWSA-N 0 0 346.500 2.953 10 10 EFCERN CN(C)c1ccc(CNc2nnc(CCO)s2)c(C(F)(F)F)c1 ZINC000865293914 1303209981 /nfs/dbraw/zinc/20/99/81/1303209981.db2.gz BTMFWGYNARXPQJ-UHFFFAOYSA-N 0 0 346.378 2.770 10 10 EFCERN OC1CCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2F)CC1 ZINC000865427068 1303251495 /nfs/dbraw/zinc/25/14/95/1303251495.db2.gz MQDCZQMCHUSNKE-UHFFFAOYSA-N 0 0 344.434 2.608 10 10 EFCERN CN1CCCc2cc(CNc3c4c(nc5ncnn53)CCC4)ccc21 ZINC000865482806 1303279816 /nfs/dbraw/zinc/27/98/16/1303279816.db2.gz HZSZFKSPLNLTOD-UHFFFAOYSA-N 0 0 334.427 2.608 10 10 EFCERN CCn1cnc2c1nc(Cl)nc2NCc1ccc(OC)cc1O ZINC000865750109 1303385117 /nfs/dbraw/zinc/38/51/17/1303385117.db2.gz KJOJHGCOKHPOCX-UHFFFAOYSA-N 0 0 333.779 2.826 10 10 EFCERN C[C@H](O)c1ccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1 ZINC000865868778 1303434364 /nfs/dbraw/zinc/43/43/64/1303434364.db2.gz XIPQSCZEIKGLCS-LBPRGKRZSA-N 0 0 349.381 2.862 10 10 EFCERN C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000865922113 1303455171 /nfs/dbraw/zinc/45/51/71/1303455171.db2.gz XKEFWIMTUZIFQB-RISCZKNCSA-N 0 0 326.400 2.505 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccc(N4CCCC4)nn3)C2)cc1 ZINC000865931663 1303459838 /nfs/dbraw/zinc/45/98/38/1303459838.db2.gz IUQGZHLTTRJOHU-HNNXBMFYSA-N 0 0 339.443 2.776 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccc(N4CCCC4)nn3)C2)cc1 ZINC000865931664 1303460021 /nfs/dbraw/zinc/46/00/21/1303460021.db2.gz IUQGZHLTTRJOHU-OAHLLOKOSA-N 0 0 339.443 2.776 10 10 EFCERN C[C@@H](O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000865953106 1303467056 /nfs/dbraw/zinc/46/70/56/1303467056.db2.gz WQKWQEGNUQQZKD-CQSZACIVSA-N 0 0 327.428 2.708 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000866442230 1303641821 /nfs/dbraw/zinc/64/18/21/1303641821.db2.gz HNQDHBODZWXKBF-CQSZACIVSA-N 0 0 346.443 2.950 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)cc1F ZINC000866459314 1303648429 /nfs/dbraw/zinc/64/84/29/1303648429.db2.gz LCLHQAZVHPNZMB-ARLBYUKCSA-N 0 0 332.419 2.775 10 10 EFCERN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866496128 1303663358 /nfs/dbraw/zinc/66/33/58/1303663358.db2.gz LYXRMXCMVYVDIT-SNVBAGLBSA-N 0 0 338.333 2.740 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866537534 1303676642 /nfs/dbraw/zinc/67/66/42/1303676642.db2.gz FWKZYABQPONONQ-NUTKFTJISA-N 0 0 333.428 2.892 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866537536 1303677299 /nfs/dbraw/zinc/67/72/99/1303677299.db2.gz FWKZYABQPONONQ-PVUWLOKVSA-N 0 0 333.428 2.892 10 10 EFCERN CC(C)n1ncc(C(=O)NCc2ccccc2O)c1Br ZINC000866755156 1303779670 /nfs/dbraw/zinc/77/96/70/1303779670.db2.gz INUKADLVNFMWCB-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cn3cc(C)sc3n2)c1 ZINC000866765696 1303784274 /nfs/dbraw/zinc/78/42/74/1303784274.db2.gz ZASJJQREXQRTLQ-LLVKDONJSA-N 0 0 345.424 2.838 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(C2CCOCC2)cc1 ZINC000866768722 1303785625 /nfs/dbraw/zinc/78/56/25/1303785625.db2.gz DLYQJSAUHNPDEY-UHFFFAOYSA-N 0 0 327.380 2.922 10 10 EFCERN CN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1 ZINC000867486694 1303831156 /nfs/dbraw/zinc/83/11/56/1303831156.db2.gz VXSLNIFSWKCWPD-VFNNOXKTSA-N 0 0 348.447 2.586 10 10 EFCERN CN(C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1 ZINC000867486693 1303831624 /nfs/dbraw/zinc/83/16/24/1303831624.db2.gz VXSLNIFSWKCWPD-QIAWRQBBSA-N 0 0 348.447 2.586 10 10 EFCERN C[C@@H](NC(=O)/C=C\COC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502924 1303836567 /nfs/dbraw/zinc/83/65/67/1303836567.db2.gz FMDGKWGIFUWTMQ-FOSCPCJNSA-N 0 0 332.444 2.682 10 10 EFCERN O=S(=O)(C[C@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000867690495 1303911555 /nfs/dbraw/zinc/91/15/55/1303911555.db2.gz GAIBBNWPLZRQDV-NSHDSACASA-N 0 0 331.384 2.863 10 10 EFCERN C[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccccc1O ZINC000867836524 1303979170 /nfs/dbraw/zinc/97/91/70/1303979170.db2.gz WHFGPSWXAMOQOT-RYUDHWBXSA-N 0 0 335.429 2.526 10 10 EFCERN COc1ccc(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c(O)c1 ZINC000867956622 1304042840 /nfs/dbraw/zinc/04/28/40/1304042840.db2.gz VFRPLGJHFPERAF-NNQSOWQGSA-N 0 0 331.412 2.803 10 10 EFCERN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000868020180 1304080335 /nfs/dbraw/zinc/08/03/35/1304080335.db2.gz IQMSRSKLLBBIEU-CHWSQXEVSA-N 0 0 343.431 2.832 10 10 EFCERN C[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000868110221 1304131395 /nfs/dbraw/zinc/13/13/95/1304131395.db2.gz WIAQZPMJSUGDDW-RYUDHWBXSA-N 0 0 345.365 2.637 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCn2nccc21 ZINC000868113668 1304133476 /nfs/dbraw/zinc/13/34/76/1304133476.db2.gz XTPMZVZDGDEHJR-QGZVFWFLSA-N 0 0 339.443 2.818 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)O1 ZINC000868116463 1304135652 /nfs/dbraw/zinc/13/56/52/1304135652.db2.gz KWZZFVKVGHXNML-CPUCHLNUSA-N 0 0 349.500 2.605 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCC[C@H]1F ZINC000868129797 1304142617 /nfs/dbraw/zinc/14/26/17/1304142617.db2.gz FJCIQQIJTQXGNF-SJORKVTESA-N 0 0 335.423 2.603 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCC12CC2 ZINC000868129834 1304142734 /nfs/dbraw/zinc/14/27/34/1304142734.db2.gz GVOUHBDSLAUYGV-QGZVFWFLSA-N 0 0 329.444 2.655 10 10 EFCERN C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccccc1O ZINC000868183552 1304174846 /nfs/dbraw/zinc/17/48/46/1304174846.db2.gz LIEPGLHSPLIEFB-AWEZNQCLSA-N 0 0 333.432 2.545 10 10 EFCERN Nc1ccc(CCNC(=O)Nc2cccc3c2OCCCO3)cc1 ZINC000868202976 1304186579 /nfs/dbraw/zinc/18/65/79/1304186579.db2.gz BNGSCXIMDSWLON-UHFFFAOYSA-N 0 0 327.384 2.794 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cc(N)c1 ZINC000868235952 1304201492 /nfs/dbraw/zinc/20/14/92/1304201492.db2.gz LKDHJRRQNKYOPL-UHFFFAOYSA-N 0 0 341.411 2.660 10 10 EFCERN C[C@@H](NC(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1O ZINC000868441327 1304298169 /nfs/dbraw/zinc/29/81/69/1304298169.db2.gz UWXZQZCZPOBJJN-GFCCVEGCSA-N 0 0 326.400 2.663 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1ccccc1O ZINC000868606060 1304378090 /nfs/dbraw/zinc/37/80/90/1304378090.db2.gz MQPKIVOWFNLVAG-RKNYENMMSA-N 0 0 346.452 2.831 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCC34CC4)C2)cc1 ZINC000868762090 1304460270 /nfs/dbraw/zinc/46/02/70/1304460270.db2.gz LHWXWWORUSRPBE-RHSMWYFYSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H]3CCCS3)C2)cc1 ZINC000868762836 1304461073 /nfs/dbraw/zinc/46/10/73/1304461073.db2.gz VVTOANAQVHPZTO-RHSMWYFYSA-N 0 0 349.500 2.859 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000868916694 1304532310 /nfs/dbraw/zinc/53/23/10/1304532310.db2.gz KXMZFWDAZNGMEF-ZWKOTPCHSA-N 0 0 349.450 2.945 10 10 EFCERN CCOC1CC2(C[C@H]2C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000868938772 1304542197 /nfs/dbraw/zinc/54/21/97/1304542197.db2.gz WTYMGKOOGAGZMC-HVEKOLDVSA-N 0 0 326.396 2.762 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000869000562 1304571035 /nfs/dbraw/zinc/57/10/35/1304571035.db2.gz LSZGTJXSOYHBFI-MAUKXSAKSA-N 0 0 349.450 2.896 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000869004679 1304573198 /nfs/dbraw/zinc/57/31/98/1304573198.db2.gz YDTYDKQLZRTPQM-YEWDVWPNSA-N 0 0 348.443 2.966 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@H]2CCC23CCOCC3)cc1F ZINC000869027945 1304581631 /nfs/dbraw/zinc/58/16/31/1304581631.db2.gz SJFRZYXNWAJYST-OAHLLOKOSA-N 0 0 349.450 2.898 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC23CCOCC3)cc1F ZINC000869027941 1304581663 /nfs/dbraw/zinc/58/16/63/1304581663.db2.gz SJFRZYXNWAJYST-HNNXBMFYSA-N 0 0 349.450 2.898 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)c2ccncc2)cc1 ZINC000869143088 1304631042 /nfs/dbraw/zinc/63/10/42/1304631042.db2.gz XPNPFILLWOSYHM-HNNXBMFYSA-N 0 0 327.428 2.789 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3CC4(CSC4)C3)C2)cc1 ZINC000869228709 1304670473 /nfs/dbraw/zinc/67/04/73/1304670473.db2.gz MNHHLETUSQQFEZ-AWEZNQCLSA-N 0 0 332.469 2.533 10 10 EFCERN CC(C)(C)OC(=O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000869443263 1304783306 /nfs/dbraw/zinc/78/33/06/1304783306.db2.gz LGRWRFHMEVKZSG-MEMKZHQFSA-N 0 0 334.368 2.775 10 10 EFCERN CON1CCC(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000869456184 1304789301 /nfs/dbraw/zinc/78/93/01/1304789301.db2.gz FPJDMKWUPQQCLZ-UHFFFAOYSA-N 0 0 341.455 2.984 10 10 EFCERN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000870112636 1305144092 /nfs/dbraw/zinc/14/40/92/1305144092.db2.gz MRSZZEUHKZVNQP-MRXNPFEDSA-N 0 0 343.379 2.629 10 10 EFCERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198669 1305884250 /nfs/dbraw/zinc/88/42/50/1305884250.db2.gz KINWRNNFBTZQOX-MRXNPFEDSA-N 0 0 344.436 2.751 10 10 EFCERN Cc1ccc(N2CCC(C(=O)N3Cc4cccc(O)c4C3)CC2)nc1 ZINC000871200938 1305887295 /nfs/dbraw/zinc/88/72/95/1305887295.db2.gz NPQFXVKYSZIAKC-UHFFFAOYSA-N 0 0 337.423 2.854 10 10 EFCERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200814 1305887550 /nfs/dbraw/zinc/88/75/50/1305887550.db2.gz JGVSICXWGFZEPU-ZDUSSCGKSA-N 0 0 330.428 2.710 10 10 EFCERN COc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200860 1305887741 /nfs/dbraw/zinc/88/77/41/1305887741.db2.gz KXTBAYKTIFQKHS-UHFFFAOYSA-N 0 0 325.364 2.906 10 10 EFCERN COCCOc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203612 1305889099 /nfs/dbraw/zinc/88/90/99/1305889099.db2.gz OHGJEWILZFLANQ-UHFFFAOYSA-N 0 0 327.380 2.502 10 10 EFCERN O=C(c1cnn(CCC(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC000871204648 1305890837 /nfs/dbraw/zinc/89/08/37/1305890837.db2.gz NOHHTCBEVFUDCO-UHFFFAOYSA-N 0 0 325.290 2.697 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1c1scnc1C1CC1 ZINC000900201760 1307770626 /nfs/dbraw/zinc/77/06/26/1307770626.db2.gz DLMBBWIKOORJFX-UHFFFAOYSA-N 0 0 329.381 2.695 10 10 EFCERN CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254683 1307827995 /nfs/dbraw/zinc/82/79/95/1307827995.db2.gz LZCCQXOROJCRRB-LAQIPUCWSA-N 0 0 334.485 2.573 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2C(F)F)cc1 ZINC000800446881 1307855182 /nfs/dbraw/zinc/85/51/82/1307855182.db2.gz ZOKNHQWZDDIGGD-INIZCTEOSA-N 0 0 339.430 2.831 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000800650939 1308203633 /nfs/dbraw/zinc/20/36/33/1308203633.db2.gz IZGKJNXCQLHQCJ-CYBMUJFWSA-N 0 0 343.402 2.536 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000800651767 1308205988 /nfs/dbraw/zinc/20/59/88/1308205988.db2.gz MJKQIHTVACLZSK-OAHLLOKOSA-N 0 0 339.439 2.705 10 10 EFCERN COC(=O)[C@@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900511032 1308236692 /nfs/dbraw/zinc/23/66/92/1308236692.db2.gz JQQGWDDFPKIEGH-VIFPVBQESA-N 0 0 349.408 2.726 10 10 EFCERN C[N@@H+]1CC[C@H](C(=O)NCc2c(O)cccc2F)[C@@H]1c1ccccc1 ZINC000900669110 1308499027 /nfs/dbraw/zinc/49/90/27/1308499027.db2.gz FVSUJIDFTGSLEM-KSSFIOAISA-N 0 0 328.387 2.841 10 10 EFCERN CO[C@H](C)c1nsc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000800845973 1308543225 /nfs/dbraw/zinc/54/32/25/1308543225.db2.gz WJDTWVGSLIMELS-CYBMUJFWSA-N 0 0 348.472 2.719 10 10 EFCERN CC[C@@](C)(CC(=O)OC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900949680 1309012792 /nfs/dbraw/zinc/01/27/92/1309012792.db2.gz QBGYZAVYXBLGQQ-INIZCTEOSA-N 0 0 337.397 2.774 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@@H](C(F)F)C2)c(C)n1-c1ccccn1 ZINC000801113560 1309144512 /nfs/dbraw/zinc/14/45/12/1309144512.db2.gz RRJGSXLXROQZKB-CQSZACIVSA-N 0 0 335.354 2.595 10 10 EFCERN CCc1nc(C)c(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC000901127095 1309541548 /nfs/dbraw/zinc/54/15/48/1309541548.db2.gz HOFYUNKYUMJXDD-ZDUSSCGKSA-N 0 0 343.427 2.790 10 10 EFCERN CCC/C=C\[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901173655 1309695828 /nfs/dbraw/zinc/69/58/28/1309695828.db2.gz ACWCSGMUEFVCIK-KPGCLWHESA-N 0 0 333.428 2.617 10 10 EFCERN Cc1[nH]nc(Cl)c1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901176034 1309702584 /nfs/dbraw/zinc/70/25/84/1309702584.db2.gz MCQCLMZCFQPJID-ZDUSSCGKSA-N 0 0 349.818 2.899 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)O ZINC000901332036 1310162201 /nfs/dbraw/zinc/16/22/01/1310162201.db2.gz ZXAQMBBPVVNBIG-KBXCAEBGSA-N 0 0 343.423 2.614 10 10 EFCERN O=c1[nH]c2ccc(C=C3SC(N4CCCCC4)=NC3=O)cc2[nH]1 ZINC000901435681 1310477255 /nfs/dbraw/zinc/47/72/55/1310477255.db2.gz FDNONZDVMSLMOK-LCYFTJDESA-N 0 0 328.397 2.725 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000801540959 1310489942 /nfs/dbraw/zinc/48/99/42/1310489942.db2.gz HYDHYBXDXOWVJC-CALCHBBNSA-N 0 0 340.423 2.642 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000801547898 1310501744 /nfs/dbraw/zinc/50/17/44/1310501744.db2.gz DQXNTUQDENWJRE-UHFFFAOYSA-N 0 0 329.400 2.535 10 10 EFCERN COCc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC000901674255 1310868755 /nfs/dbraw/zinc/86/87/55/1310868755.db2.gz FXFCCNWJRYHTEB-CQSZACIVSA-N 0 0 343.445 2.628 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC[C@H](OC(F)F)C3)ccc21 ZINC000802061872 1311288801 /nfs/dbraw/zinc/28/88/01/1311288801.db2.gz VTZMERDPZCEJRQ-AWEZNQCLSA-N 0 0 339.386 2.592 10 10 EFCERN Cc1cccc(NC(=O)NCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001159034358 1311438341 /nfs/dbraw/zinc/43/83/41/1311438341.db2.gz SCAZEVKZDALRLQ-UHFFFAOYSA-N 0 0 347.802 2.792 10 10 EFCERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cl)c1O ZINC001159041047 1311439566 /nfs/dbraw/zinc/43/95/66/1311439566.db2.gz AWFXIWCQQIMCAV-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN C[C@@H](NC(=O)N1CC[C@H](OC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000802297896 1311543539 /nfs/dbraw/zinc/54/35/39/1311543539.db2.gz DIRRSJISUJXOLE-RISCZKNCSA-N 0 0 327.375 2.837 10 10 EFCERN Cc1cc(C(=O)N2CC[C@H](OC(F)F)C2)c(C)n1-c1ccccn1 ZINC000802307433 1311550983 /nfs/dbraw/zinc/55/09/83/1311550983.db2.gz YVIXCHSTBNMZIK-ZDUSSCGKSA-N 0 0 335.354 2.943 10 10 EFCERN CCN1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1=O ZINC000802373315 1311601866 /nfs/dbraw/zinc/60/18/66/1311601866.db2.gz MBBWXZRQNGPHIT-CYBMUJFWSA-N 0 0 331.441 2.506 10 10 EFCERN COc1cc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC001226647474 1311701596 /nfs/dbraw/zinc/70/15/96/1311701596.db2.gz VYXDMVLODUYRBM-CQSZACIVSA-N 0 0 342.443 2.759 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([N+](=O)[O-])[nH]1 ZINC001160564337 1311737823 /nfs/dbraw/zinc/73/78/23/1311737823.db2.gz YSBVCIQKIASCEH-UHFFFAOYSA-N 0 0 348.322 2.885 10 10 EFCERN C[C@H](NC(=O)C1=CC(=O)CS1)C1CCN(CC(F)(F)F)CC1 ZINC000802604750 1311829675 /nfs/dbraw/zinc/82/96/75/1311829675.db2.gz VXTUDYJEABYCIQ-VIFPVBQESA-N 0 0 336.379 2.846 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@@H](C)Cn2ncc3ccccc32)c1 ZINC000802783712 1312018689 /nfs/dbraw/zinc/01/86/89/1312018689.db2.gz BDMCEESGUKMPSB-ZDUSSCGKSA-N 0 0 339.395 2.703 10 10 EFCERN CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162205070 1312067442 /nfs/dbraw/zinc/06/74/42/1312067442.db2.gz BXYZPWFVEROKBV-UHFFFAOYSA-N 0 0 341.367 2.764 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1-c1ccccn1 ZINC001162279180 1312079261 /nfs/dbraw/zinc/07/92/61/1312079261.db2.gz USRXHENKGXMKEM-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN CC(C)(C(=O)NCc1ccc(O)cc1O)c1ccccc1[N+](=O)[O-] ZINC001162279300 1312079283 /nfs/dbraw/zinc/07/92/83/1312079283.db2.gz ZSAKVJSIZTUWHI-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN O=C(CCOc1ccc(F)cc1Cl)NCc1ccc(O)cc1O ZINC001162278693 1312079470 /nfs/dbraw/zinc/07/94/70/1312079470.db2.gz KAWVCYIQAXXCLR-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN NC(=O)c1cc(NCc2ccc(N3CC=CC3)cc2)ccc1[N+](=O)[O-] ZINC001162590361 1312131003 /nfs/dbraw/zinc/13/10/03/1312131003.db2.gz BXLYTYMYTQCHSG-UHFFFAOYSA-N 0 0 338.367 2.682 10 10 EFCERN CCn1cc(Cl)c(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001162612583 1312135825 /nfs/dbraw/zinc/13/58/25/1312135825.db2.gz MNHGYBQXNIMYEI-UHFFFAOYSA-N 0 0 330.775 2.740 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc(-c2nc[nH]n2)c1 ZINC001162612771 1312135864 /nfs/dbraw/zinc/13/58/64/1312135864.db2.gz PTEVTWBGDGVQNO-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN CC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1O ZINC001162612961 1312136052 /nfs/dbraw/zinc/13/60/52/1312136052.db2.gz SRAFQOOBCFHXPV-UHFFFAOYSA-N 0 0 336.347 2.779 10 10 EFCERN CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CC)n1 ZINC001162787019 1312176397 /nfs/dbraw/zinc/17/63/97/1312176397.db2.gz PHMCPNVMSXRUHJ-UHFFFAOYSA-N 0 0 326.444 2.937 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)C1=C[S@@](=O)CCC1 ZINC001162800596 1312178312 /nfs/dbraw/zinc/17/83/12/1312178312.db2.gz JPTVBXOCERCJNR-QHCPKHFHSA-N 0 0 332.469 2.720 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)C1=C[S@](=O)CCC1 ZINC001162800595 1312178399 /nfs/dbraw/zinc/17/83/99/1312178399.db2.gz JPTVBXOCERCJNR-HSZRJFAPSA-N 0 0 332.469 2.720 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](CO)CCc2ccccc2)cc1 ZINC000902919802 1312211443 /nfs/dbraw/zinc/21/14/43/1312211443.db2.gz PPRCIGISJNNDJE-SFHVURJKSA-N 0 0 341.455 2.546 10 10 EFCERN CC(C)c1nc([C@H](CO)NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC001163857005 1312396426 /nfs/dbraw/zinc/39/64/26/1312396426.db2.gz NQUZMEXJCDTYEO-RNZFLTOJSA-N 0 0 348.424 2.541 10 10 EFCERN C[C@@H](NCc1cn(C)nc1Br)c1c(O)cccc1F ZINC000903188687 1312443552 /nfs/dbraw/zinc/44/35/52/1312443552.db2.gz VZPKUVPPGCZVII-MRVPVSSYSA-N 0 0 328.185 2.878 10 10 EFCERN COc1ccc(CNC(=O)[C@H](C)Cn2ncc3ccccc32)c(O)c1 ZINC000803291848 1312472130 /nfs/dbraw/zinc/47/21/30/1312472130.db2.gz FATZBTVRGSCXBH-CYBMUJFWSA-N 0 0 339.395 2.703 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903290024 1312540891 /nfs/dbraw/zinc/54/08/91/1312540891.db2.gz RJBJWIUYXSEOCL-PBHICJAKSA-N 0 0 343.423 2.823 10 10 EFCERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(Cl)ccc1O ZINC001165497440 1312638181 /nfs/dbraw/zinc/63/81/81/1312638181.db2.gz GIPACTUKBOBNQK-UHFFFAOYSA-N 0 0 336.731 2.649 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccnc(NC(=O)C2CC2)c1 ZINC001165507200 1312639697 /nfs/dbraw/zinc/63/96/97/1312639697.db2.gz BZPBWBBWKHXLGT-UHFFFAOYSA-N 0 0 345.786 2.719 10 10 EFCERN C[C@H](NC(=O)NCc1ccc2oc(=O)[nH]c2c1)c1ccccc1O ZINC001248467478 1314937138 /nfs/dbraw/zinc/93/71/38/1314937138.db2.gz JSKVMLQDUZPCQK-JTQLQIEISA-N 0 0 327.340 2.799 10 10 EFCERN C[C@H](NC(=O)NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC001251453716 1315349527 /nfs/dbraw/zinc/34/95/27/1315349527.db2.gz MQEMNBQVNOXTRI-ZDUSSCGKSA-N 0 0 337.383 2.533 10 10 EFCERN CC[S@@](=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000827118139 1315599665 /nfs/dbraw/zinc/59/96/65/1315599665.db2.gz AFKGWUJLXXPEAY-HSZRJFAPSA-N 0 0 332.469 2.521 10 10 EFCERN Cc1noc([C@H](NC(=O)NCc2cc(Cl)ccc2O)C(C)C)n1 ZINC001256565360 1315959792 /nfs/dbraw/zinc/95/97/92/1315959792.db2.gz UJEIIPLJIOXZMB-CYBMUJFWSA-N 0 0 338.795 2.934 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001256571854 1315961518 /nfs/dbraw/zinc/96/15/18/1315961518.db2.gz DVUUSOVLGGVYAZ-AWEZNQCLSA-N 0 0 337.464 2.682 10 10 EFCERN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827544897 1315998040 /nfs/dbraw/zinc/99/80/40/1315998040.db2.gz NEOHZSBQRFZAFV-LBPRGKRZSA-N 0 0 346.258 2.887 10 10 EFCERN C[C@@H]1SCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000827650233 1316009821 /nfs/dbraw/zinc/00/98/21/1316009821.db2.gz PGXMOCVQIHYERJ-KWQFWETISA-N 0 0 345.262 2.848 10 10 EFCERN C/C=C\c1ccc(OCC(=O)NCc2ccc(O)cc2O)c(OC)c1 ZINC001299570104 1316220584 /nfs/dbraw/zinc/22/05/84/1316220584.db2.gz GYLQMKPFSFJCBM-ARJAWSKDSA-N 0 0 343.379 2.835 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2cccc(F)c2)no1 ZINC001299570994 1316224697 /nfs/dbraw/zinc/22/46/97/1316224697.db2.gz ONQZYMJENGJGFQ-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001299573926 1316230348 /nfs/dbraw/zinc/23/03/48/1316230348.db2.gz LOEWMLAOTQHDCR-SECBINFHSA-N 0 0 339.750 2.974 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(F)c(Br)c1 ZINC001299574048 1316230497 /nfs/dbraw/zinc/23/04/97/1316230497.db2.gz ONOMREKZLKKHEK-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1cc(F)ccc1-n1ccc(C(=O)NCc2ccc(O)cc2O)n1 ZINC001299573295 1316230522 /nfs/dbraw/zinc/23/05/22/1316230522.db2.gz JJILZEVFAONSMJ-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2nccnc2c1 ZINC001299721093 1316377789 /nfs/dbraw/zinc/37/77/89/1316377789.db2.gz ARGGESNSXFSEMW-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN O=C(Cc1ccc2c(c1)CCO2)NCc1ccc2cccnc2c1O ZINC001299721637 1316378255 /nfs/dbraw/zinc/37/82/55/1316378255.db2.gz NYJRJNIIFMDQAK-UHFFFAOYSA-N 0 0 334.375 2.734 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C(C)C)C1CC1 ZINC001261730284 1316427823 /nfs/dbraw/zinc/42/78/23/1316427823.db2.gz VLEDGQFRDZXICE-QGZVFWFLSA-N 0 0 332.444 2.682 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(C)(C)C)o1 ZINC001261856591 1316434526 /nfs/dbraw/zinc/43/45/26/1316434526.db2.gz JKNSUZMBKGUZPR-UHFFFAOYSA-N 0 0 344.411 2.558 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2n(n1)CCCO2 ZINC001264287271 1316602739 /nfs/dbraw/zinc/60/27/39/1316602739.db2.gz QDJMZBBABLYOEC-UHFFFAOYSA-N 0 0 340.427 2.538 10 10 EFCERN CCCC[C@@H](CNC(=O)CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280595235 1317639992 /nfs/dbraw/zinc/63/99/92/1317639992.db2.gz FBVTZOLIWKXNEQ-AWEZNQCLSA-N 0 0 347.419 2.664 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001319249116 1328820490 /nfs/dbraw/zinc/82/04/90/1328820490.db2.gz NUIAPBXUSRRVAY-ZPOXIUPMSA-N 0 0 346.383 2.786 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001319249115 1328820747 /nfs/dbraw/zinc/82/07/47/1328820747.db2.gz NUIAPBXUSRRVAY-DTCIYPIOSA-N 0 0 346.383 2.786 10 10 EFCERN CC(C)n1nccc1NC(=O)c1ccc(C2=S=C(C=O)C=C2)cc1 ZINC001290349126 1321899795 /nfs/dbraw/zinc/89/97/95/1321899795.db2.gz NFYNAXLJYDWBAK-UHFFFAOYSA-N 0 0 339.420 2.911 10 10 EFCERN CNC(=O)c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001290398861 1321910202 /nfs/dbraw/zinc/91/02/02/1321910202.db2.gz VCKVTRXTHNPFGH-UHFFFAOYSA-N 0 0 342.376 2.924 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC001290717370 1321944780 /nfs/dbraw/zinc/94/47/80/1321944780.db2.gz VHADRZLJGMNYOJ-FQEVSTJZSA-N 0 0 341.407 2.613 10 10 EFCERN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001292106932 1322038215 /nfs/dbraw/zinc/03/82/15/1322038215.db2.gz BFKUMPTVRBPOPZ-UHFFFAOYSA-N 0 0 328.368 2.878 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1NC(C)=O ZINC001292179289 1322041805 /nfs/dbraw/zinc/04/18/05/1322041805.db2.gz RROYLUIIOQZHGH-UHFFFAOYSA-N 0 0 340.427 2.768 10 10 EFCERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)COCc1ccccc1 ZINC001292409256 1322068086 /nfs/dbraw/zinc/06/80/86/1322068086.db2.gz QRIYYIOEXLSLKY-AWEZNQCLSA-N 0 0 329.396 2.609 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001293080849 1322188309 /nfs/dbraw/zinc/18/83/09/1322188309.db2.gz PTRLPLJKKBWFGZ-GOSISDBHSA-N 0 0 327.380 2.631 10 10 EFCERN CO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001293988764 1322390507 /nfs/dbraw/zinc/39/05/07/1322390507.db2.gz PZVNZNRUPPQRJO-INIZCTEOSA-N 0 0 335.787 2.798 10 10 EFCERN C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294542390 1322508897 /nfs/dbraw/zinc/50/88/97/1322508897.db2.gz MZXHDDSHZNSMJE-MFKMUULPSA-N 0 0 330.344 2.684 10 10 EFCERN O=C([C@H](O)c1ccccn1)N(Cc1ccco1)Cc1ccccc1O ZINC001294672694 1322541914 /nfs/dbraw/zinc/54/19/14/1322541914.db2.gz TTYFIOMPOOCZFA-GOSISDBHSA-N 0 0 338.363 2.643 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)C[C@@H]3C)CC2)cc1 ZINC001295272763 1322669901 /nfs/dbraw/zinc/66/99/01/1322669901.db2.gz PJBXEISCNVWGMH-HNAYVOBHSA-N 0 0 344.455 2.739 10 10 EFCERN CCC(CC)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295538559 1322720538 /nfs/dbraw/zinc/72/05/38/1322720538.db2.gz JCJUAQIKQSHWTL-LLVKDONJSA-N 0 0 347.419 2.520 10 10 EFCERN COC(=O)CCSc1ncccc1NC(=O)C1=CC(=O)CS1 ZINC001295576252 1322727426 /nfs/dbraw/zinc/72/74/26/1322727426.db2.gz LQQNSUFUYOYLOU-UHFFFAOYSA-N 0 0 338.410 2.756 10 10 EFCERN COc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(O)c1 ZINC001296967767 1323066884 /nfs/dbraw/zinc/06/68/84/1323066884.db2.gz GJQQTJXOPUATII-UHFFFAOYSA-N 0 0 334.303 2.687 10 10 EFCERN CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001297283702 1323148865 /nfs/dbraw/zinc/14/88/65/1323148865.db2.gz QKYAGDISMMYBNL-MRXNPFEDSA-N 0 0 341.455 2.999 10 10 EFCERN Cc1[nH]c(C=O)cc1C(=O)NCc1cccc(Br)c1O ZINC001297442267 1323218000 /nfs/dbraw/zinc/21/80/00/1323218000.db2.gz YYXAVELUCSOCGY-UHFFFAOYSA-N 0 0 337.173 2.534 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cccc(C(C)=O)c1 ZINC001297562880 1323275164 /nfs/dbraw/zinc/27/51/64/1323275164.db2.gz QUSJHRZJDDMSKP-UHFFFAOYSA-N 0 0 348.395 2.776 10 10 EFCERN CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCC1CC1 ZINC001298364257 1323505517 /nfs/dbraw/zinc/50/55/17/1323505517.db2.gz WOJZIUUXPJXODK-MRXNPFEDSA-N 0 0 342.443 2.924 10 10 EFCERN COc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC001301020791 1324519021 /nfs/dbraw/zinc/51/90/21/1324519021.db2.gz UBVAUHAPIHFXCQ-NSHDSACASA-N 0 0 331.368 2.535 10 10 EFCERN Cc1cccc2c1C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CO2 ZINC001301279329 1324533678 /nfs/dbraw/zinc/53/36/78/1324533678.db2.gz SRYKTYINCVRGEC-QPBFKRLHSA-N 0 0 325.364 2.539 10 10 EFCERN Cc1cc(CNC(=O)[C@@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC001302267427 1324570460 /nfs/dbraw/zinc/57/04/60/1324570460.db2.gz MPBJVAMOICDVCY-IBGZPJMESA-N 0 0 335.407 2.839 10 10 EFCERN C[C@@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccccc1O ZINC001302530201 1324579504 /nfs/dbraw/zinc/57/95/04/1324579504.db2.gz FCTMWYFABIQNEW-GFCCVEGCSA-N 0 0 335.363 2.837 10 10 EFCERN O=C(COCc1nc2ccccc2s1)NCc1c(O)cccc1F ZINC001303877730 1324623515 /nfs/dbraw/zinc/62/35/15/1324623515.db2.gz FHUOZAYDVMMITH-UHFFFAOYSA-N 0 0 346.383 2.974 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccnc(OCC(F)(F)F)c1 ZINC001303877351 1324623908 /nfs/dbraw/zinc/62/39/08/1324623908.db2.gz BHKOWBJDCZNPCP-UHFFFAOYSA-N 0 0 344.264 2.797 10 10 EFCERN C[C@@H](C(=O)NCc1c(O)cccc1F)n1ccc2ccccc2c1=O ZINC001303875372 1324624118 /nfs/dbraw/zinc/62/41/18/1324624118.db2.gz GOIDXOYEPAAIOC-LBPRGKRZSA-N 0 0 340.354 2.724 10 10 EFCERN CCOc1ccccc1C(F)(F)C(=O)NCc1c(O)cccc1O ZINC001304053371 1324634716 /nfs/dbraw/zinc/63/47/16/1324634716.db2.gz JDNFPDHOUJZAJY-UHFFFAOYSA-N 0 0 337.322 2.905 10 10 EFCERN Nc1c(C(=O)NCc2c(O)cccc2O)ccnc1-c1ccccc1 ZINC001304053080 1324634871 /nfs/dbraw/zinc/63/48/71/1324634871.db2.gz BSZSFEHYHXBGGE-UHFFFAOYSA-N 0 0 335.363 2.672 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc([C@@H](C)CC(N)=O)cc2)c(O)c1O ZINC001304179888 1324644490 /nfs/dbraw/zinc/64/44/90/1324644490.db2.gz REJGCDUQHULTML-NSHDSACASA-N 0 0 328.368 2.637 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1 ZINC001304662116 1324658304 /nfs/dbraw/zinc/65/83/04/1324658304.db2.gz TZILQVDKBPPZHG-CYBMUJFWSA-N 0 0 342.359 2.649 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCCC1(C)C ZINC001304794129 1324662759 /nfs/dbraw/zinc/66/27/59/1324662759.db2.gz DPIIGJDMNZAHCY-MRXNPFEDSA-N 0 0 330.432 2.744 10 10 EFCERN O=C(NCCc1cnc2ccccc2c1)c1c(F)ccc(O)c1O ZINC001306892277 1324730152 /nfs/dbraw/zinc/73/01/52/1324730152.db2.gz BYQZZMSFBUDVOP-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1COC(=O)C1 ZINC001307129107 1324743861 /nfs/dbraw/zinc/74/38/61/1324743861.db2.gz BOYRKDJYPXRXAY-LBPRGKRZSA-N 0 0 326.308 2.553 10 10 EFCERN Cc1cc(CCN=c2ncnc3[nH][nH]cc2-3)c(C)n1-c1ccccc1 ZINC001307179061 1324747715 /nfs/dbraw/zinc/74/77/15/1324747715.db2.gz LSNQJJZAORVABK-UHFFFAOYSA-N 0 0 332.411 2.789 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+]CCc2nc(C(=O)[O-])cs2)cc1 ZINC000901860552 1324759788 /nfs/dbraw/zinc/75/97/88/1324759788.db2.gz VRXAALOAKBMNLP-ONEGZZNKSA-N 0 0 331.441 2.753 10 10 EFCERN COc1ccc(N2CCN(CCCOC(F)(F)F)CC2)cc1F ZINC001307575371 1324773526 /nfs/dbraw/zinc/77/35/26/1324773526.db2.gz YQFPPIPXYFOLEB-UHFFFAOYSA-N 0 0 336.329 2.883 10 10 EFCERN CCOc1ccc(N(C)Cc2nc(-c3cc(OC)ncn3)no2)cc1 ZINC001308058046 1324792123 /nfs/dbraw/zinc/79/21/23/1324792123.db2.gz BJTOTLJGZSFLLY-UHFFFAOYSA-N 0 0 341.371 2.570 10 10 EFCERN C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903293756 1324830538 /nfs/dbraw/zinc/83/05/38/1324830538.db2.gz WKACXDASVKVNHJ-UKRRQHHQSA-N 0 0 330.384 2.945 10 10 EFCERN CC[C@@H]([NH2+]CC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062877 1324863056 /nfs/dbraw/zinc/86/30/56/1324863056.db2.gz WWNFVXAPVTXUNP-IYKSTZQJSA-N 0 0 328.416 2.928 10 10 EFCERN CCn1nccc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001313038425 1325004417 /nfs/dbraw/zinc/00/44/17/1325004417.db2.gz HRYGWJZRUXEXDL-UHFFFAOYSA-N 0 0 341.459 2.845 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)no1)c1ccccc1O ZINC001313429658 1325014934 /nfs/dbraw/zinc/01/49/34/1325014934.db2.gz DYRMXJDWNMXJCK-SFYZADRCSA-N 0 0 344.293 2.915 10 10 EFCERN CC(C)CCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001318093987 1328493787 /nfs/dbraw/zinc/49/37/87/1328493787.db2.gz WHLMGHXIZHBRMN-UHFFFAOYSA-N 0 0 331.420 2.699 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cnc(C2CC2)[nH]1 ZINC001323225012 1329524880 /nfs/dbraw/zinc/52/48/80/1329524880.db2.gz QRVJSYALDGQIHL-UHFFFAOYSA-N 0 0 336.189 2.685 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4CCCC[C@@H]4C3)cc2N1 ZINC001323921680 1329584955 /nfs/dbraw/zinc/58/49/55/1329584955.db2.gz YRQVDJFAPHOJCL-VXGBXAGGSA-N 0 0 331.372 2.942 10 10 EFCERN COc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC001325175276 1329674207 /nfs/dbraw/zinc/67/42/07/1329674207.db2.gz AFZXORXUDDKUKX-UHFFFAOYSA-N 0 0 342.443 2.691 10 10 EFCERN CN1CCN(c2ccc(CN3CCO[C@@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924937 1330530873 /nfs/dbraw/zinc/53/08/73/1330530873.db2.gz YGOWJRCJTYXEDW-HXUWFJFHSA-N 0 0 347.478 2.578 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001328009357 1330541324 /nfs/dbraw/zinc/54/13/24/1330541324.db2.gz HTUNWXKPZJDVDD-HIFRSBDPSA-N 0 0 337.391 2.812 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328057074 1330547401 /nfs/dbraw/zinc/54/74/01/1330547401.db2.gz TYIZUZAGFWKGMQ-ILWJIGKKSA-N 0 0 333.429 2.968 10 10 EFCERN CCC(C)(C)[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001328068324 1330549375 /nfs/dbraw/zinc/54/93/75/1330549375.db2.gz AZSOULBXUGCOEG-AWEZNQCLSA-N 0 0 333.476 2.618 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](C)c3ccncc3)CC2)cc1 ZINC001329380747 1330700627 /nfs/dbraw/zinc/70/06/27/1330700627.db2.gz YWWTWZDXKXRNLA-MRXNPFEDSA-N 0 0 339.439 2.933 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)CC(F)F ZINC001329390217 1330701599 /nfs/dbraw/zinc/70/15/99/1330701599.db2.gz XOASGYVXUWRPEV-GFCCVEGCSA-N 0 0 342.386 2.538 10 10 EFCERN O=C(C(=O)N1CCC[C@@H]1c1ccsc1)N1Cc2cccc(O)c2C1 ZINC001329404394 1330704134 /nfs/dbraw/zinc/70/41/34/1330704134.db2.gz GZXUIBSYQPWIPM-OAHLLOKOSA-N 0 0 342.420 2.660 10 10 EFCERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCC(C)(C)CC1 ZINC001329436289 1330707355 /nfs/dbraw/zinc/70/73/55/1330707355.db2.gz GHQCSPSXSFXUOL-UHFFFAOYSA-N 0 0 330.428 2.662 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC001329721209 1330730768 /nfs/dbraw/zinc/73/07/68/1330730768.db2.gz BZZVSJQVWCCLHT-AEFFLSMTSA-N 0 0 331.460 2.900 10 10 EFCERN Cc1nc2sccn2c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001329778926 1330736556 /nfs/dbraw/zinc/73/65/56/1330736556.db2.gz XCKLPPBMIOABTD-UHFFFAOYSA-N 0 0 332.404 2.839 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2COc3cc(F)ccc3C2)cc1 ZINC001331511000 1330845955 /nfs/dbraw/zinc/84/59/55/1330845955.db2.gz OJWAFAWOXAIPAY-OAHLLOKOSA-N 0 0 328.387 2.759 10 10 EFCERN O=C(NCCO[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC001332136472 1330926444 /nfs/dbraw/zinc/92/64/44/1330926444.db2.gz ZNRZSTXSCZMUAG-HNNXBMFYSA-N 0 0 337.397 2.586 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3C[C@]4(C)COC[C@]4(C)C3)ccc21 ZINC001333721576 1331201691 /nfs/dbraw/zinc/20/16/91/1331201691.db2.gz JNMNFORUNVTTAB-BGYRXZFFSA-N 0 0 343.471 2.637 10 10 EFCERN C[C@@H](NC(=O)C(=O)N1CCC[C@H](CCF)C1)c1ccc(N(C)C)cc1 ZINC001334123851 1331251428 /nfs/dbraw/zinc/25/14/28/1331251428.db2.gz VKPMPAWCSCRXBJ-HUUCEWRRSA-N 0 0 349.450 2.528 10 10 EFCERN C[C@@]12COC[C@H]1CN(c1nnc(C3SC=CC3=O)n1CC1CC1)C2 ZINC001345200850 1332519986 /nfs/dbraw/zinc/51/99/86/1332519986.db2.gz FUGRVSOVNIXUBF-SJKOYZFVSA-N 0 0 346.456 2.595 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC001346049721 1332594569 /nfs/dbraw/zinc/59/45/69/1332594569.db2.gz COUWMXZDVKIGBR-UHFFFAOYSA-N 0 0 348.340 2.867 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC001347300082 1332732632 /nfs/dbraw/zinc/73/26/32/1332732632.db2.gz WYPSCTDIIZOBRV-KGYLQXTDSA-N 0 0 326.343 2.634 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccc3c2COCC3)cc1F ZINC001347901591 1332783465 /nfs/dbraw/zinc/78/34/65/1332783465.db2.gz MMSLGKQVCMLQQL-UHFFFAOYSA-N 0 0 328.387 2.894 10 10 EFCERN Cc1ccc(C(=O)CCC(=O)NCc2cccc(O)c2O)cc1C ZINC001348034485 1332794288 /nfs/dbraw/zinc/79/42/88/1332794288.db2.gz AQVJLDAMJCCNGB-UHFFFAOYSA-N 0 0 327.380 2.994 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001348035550 1332794910 /nfs/dbraw/zinc/79/49/10/1332794910.db2.gz KULZKPXUBXEPGE-MRXNPFEDSA-N 0 0 343.379 2.586 10 10 EFCERN COc1ccc(OC(C)(C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001348046703 1332795550 /nfs/dbraw/zinc/79/55/50/1332795550.db2.gz INYAELPYBYWNHS-UHFFFAOYSA-N 0 0 331.368 2.580 10 10 EFCERN COC(=O)CC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC001348091553 1332799491 /nfs/dbraw/zinc/79/94/91/1332799491.db2.gz RECQOYUHWLZVJF-ZDUSSCGKSA-N 0 0 334.416 2.876 10 10 EFCERN C/C=C/C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001348156522 1332804762 /nfs/dbraw/zinc/80/47/62/1332804762.db2.gz GZZKFEIUBBXVGM-BWPKMQGJSA-N 0 0 330.428 2.555 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@]1(CO)c1ccccc1 ZINC001348730574 1332863571 /nfs/dbraw/zinc/86/35/71/1332863571.db2.gz ZUYJJEYQKCTDFV-MFUYTVRRSA-N 0 0 339.391 2.621 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3COC(=O)C3)ccc21 ZINC001348799224 1332871681 /nfs/dbraw/zinc/87/16/81/1332871681.db2.gz PMAJVSXVXGSVOF-AWEZNQCLSA-N 0 0 345.395 2.624 10 10 EFCERN Cc1c(Br)c(C(=O)N[C@@H](C)c2ccccc2O)nn1C ZINC001348994030 1332893338 /nfs/dbraw/zinc/89/33/38/1332893338.db2.gz UVNORYGZQNBNPF-QMMMGPOBSA-N 0 0 338.205 2.688 10 10 EFCERN CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001349119908 1332907112 /nfs/dbraw/zinc/90/71/12/1332907112.db2.gz VYUXRRZMYPHOGE-PKOBYXMFSA-N 0 0 346.471 2.687 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001349397570 1332947478 /nfs/dbraw/zinc/94/74/78/1332947478.db2.gz XNRHMZHDBNSVLG-RBVVOMGSSA-N 0 0 348.468 2.550 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001349633688 1332978625 /nfs/dbraw/zinc/97/86/25/1332978625.db2.gz WGQCGSSPLPITAI-MAUKXSAKSA-N 0 0 337.467 2.918 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(CO)cc3)C2)cc1 ZINC001350191934 1333046468 /nfs/dbraw/zinc/04/64/68/1333046468.db2.gz JRVUOGISRVBNPP-MRXNPFEDSA-N 0 0 341.411 2.588 10 10 EFCERN C[C@H](NC(=O)[C@@]1(N(C)C)COc2ccccc2C1)c1ccccc1O ZINC001350223893 1333051252 /nfs/dbraw/zinc/05/12/52/1333051252.db2.gz NFQJIGPKYKGNIY-XOBRGWDASA-N 0 0 340.423 2.505 10 10 EFCERN Nc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC23CCCCC3)cc1 ZINC001350341538 1333066919 /nfs/dbraw/zinc/06/69/19/1333066919.db2.gz KERBZESHEZBHAW-KRWDZBQOSA-N 0 0 343.471 2.547 10 10 EFCERN CCCc1nccnc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001350428653 1333080937 /nfs/dbraw/zinc/08/09/37/1333080937.db2.gz MZKRZEOLPDIFMW-UHFFFAOYSA-N 0 0 343.450 2.932 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2CC3(CC3(F)F)C2)cc1F ZINC001350453505 1333084172 /nfs/dbraw/zinc/08/41/72/1333084172.db2.gz APDNKTSPPKLETD-UHFFFAOYSA-N 0 0 327.350 2.879 10 10 EFCERN CO[C@H]1CC[C@@H]1N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350548212 1333095591 /nfs/dbraw/zinc/09/55/91/1333095591.db2.gz YEIYOQVVVKIANF-AAEUAGOBSA-N 0 0 334.445 2.736 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001350981046 1333162453 /nfs/dbraw/zinc/16/24/53/1333162453.db2.gz RXQAFNQSPWXLPA-QWHCGFSZSA-N 0 0 341.502 2.836 10 10 EFCERN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n(C)n1 ZINC001351674182 1333266718 /nfs/dbraw/zinc/26/67/18/1333266718.db2.gz RIHPQPKYFLJOIH-UHFFFAOYSA-N 0 0 326.444 2.855 10 10 EFCERN Cn1cc(/C=C\C(=O)N2CCOc3c2cccc3C(F)(F)F)cn1 ZINC000847111128 1333327885 /nfs/dbraw/zinc/32/78/85/1333327885.db2.gz IZLFKSFPSMHXJX-WAYWQWQTSA-N 0 0 337.301 2.878 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(C(F)F)on2)c1 ZINC001352240879 1333437589 /nfs/dbraw/zinc/43/75/89/1333437589.db2.gz KDMAVRUHGUMUAE-MRVPVSSYSA-N 0 0 341.314 2.887 10 10 EFCERN CC(=O)C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC001352477793 1333556125 /nfs/dbraw/zinc/55/61/25/1333556125.db2.gz VSYMTJBTJMDLOH-UHFFFAOYSA-N 0 0 329.444 2.580 10 10 EFCERN CNc1nc(C)cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001352614753 1333631619 /nfs/dbraw/zinc/63/16/19/1333631619.db2.gz IQLIMZRHYDLAFD-UHFFFAOYSA-N 0 0 339.443 2.699 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(Cl)n(C)n1 ZINC001352616111 1333632452 /nfs/dbraw/zinc/63/24/52/1333632452.db2.gz XMDDSOARTGQEHN-UHFFFAOYSA-N 0 0 332.835 2.946 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000847394308 1333653996 /nfs/dbraw/zinc/65/39/96/1333653996.db2.gz MEVHKNPMFMRNBO-IRXDYDNUSA-N 0 0 334.416 2.548 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCCCSc3nccs3)[nH]n2)c1 ZINC000847487776 1333792339 /nfs/dbraw/zinc/79/23/39/1333792339.db2.gz KSZVVDLVOHBRGI-UHFFFAOYSA-N 0 0 347.469 2.784 10 10 EFCERN COC12CCC(C(=O)NCc3cccc(Cl)c3O)(CC1)C(=O)C2 ZINC001353173651 1333983390 /nfs/dbraw/zinc/98/33/90/1333983390.db2.gz JPMOIJCBHYUJTN-UHFFFAOYSA-N 0 0 337.803 2.580 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c2c(nn1C)CCC2 ZINC001353920582 1334118489 /nfs/dbraw/zinc/11/84/89/1334118489.db2.gz XYUHBAOXLHPAQS-UHFFFAOYSA-N 0 0 338.455 2.781 10 10 EFCERN CCOc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001300666636 1334407230 /nfs/dbraw/zinc/40/72/30/1334407230.db2.gz IPDGACNRZASOLH-UHFFFAOYSA-N 0 0 341.371 2.615 10 10 EFCERN CO[C@@](C)(CO)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000848263113 1334536394 /nfs/dbraw/zinc/53/63/94/1334536394.db2.gz PGEOYIRFAPKDQA-LJQANCHMSA-N 0 0 330.428 2.530 10 10 EFCERN CCN(C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 ZINC000848344323 1334677648 /nfs/dbraw/zinc/67/76/48/1334677648.db2.gz DXDBVJCZLZMCGK-UHFFFAOYSA-N 0 0 348.447 2.730 10 10 EFCERN O=C(COCC(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001355506061 1334803607 /nfs/dbraw/zinc/80/36/07/1334803607.db2.gz DVZZBMIVXAFOQD-UHFFFAOYSA-N 0 0 345.301 2.682 10 10 EFCERN O=C1O[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1C1CC1 ZINC000848578076 1334805073 /nfs/dbraw/zinc/80/50/73/1334805073.db2.gz NOPYTZSUAVRUTI-LLVKDONJSA-N 0 0 331.199 2.772 10 10 EFCERN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848638995 1334821333 /nfs/dbraw/zinc/82/13/33/1334821333.db2.gz DIEGZPMRHCXJAI-FHLIZLRMSA-N 0 0 346.471 2.748 10 10 EFCERN COCCN(C/C=C\c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000848921673 1334987469 /nfs/dbraw/zinc/98/74/69/1334987469.db2.gz FYWNVHIFIWTALX-AWFCHZOYSA-N 0 0 346.393 2.637 10 10 EFCERN COCCN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000848921674 1334987651 /nfs/dbraw/zinc/98/76/51/1334987651.db2.gz FYWNVHIFIWTALX-DWTRPJMMSA-N 0 0 346.393 2.637 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000848922231 1334989024 /nfs/dbraw/zinc/98/90/24/1334989024.db2.gz NSGGKQCOCUZSLF-HUUCEWRRSA-N 0 0 336.388 2.746 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn2ccncc12 ZINC001356265103 1335005101 /nfs/dbraw/zinc/00/51/01/1335005101.db2.gz AKLPHMXBMXWENB-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@@H]2Cc3ccccc3O2)cc1F ZINC001357192410 1335290148 /nfs/dbraw/zinc/29/01/48/1335290148.db2.gz JKINOJGGZNHCFU-HNNXBMFYSA-N 0 0 328.387 2.902 10 10 EFCERN COc1ccc(N2CC[C@@H](n3c(=O)[nH]c4ccccc4c3=O)C2)cc1 ZINC000849173017 1335563499 /nfs/dbraw/zinc/56/34/99/1335563499.db2.gz AOTKJOKAVBWAGW-CQSZACIVSA-N 0 0 337.379 2.562 10 10 EFCERN CCOCc1cc(C[NH2+][C@H](CC(=O)[O-])c2ccncc2)ccc1OC ZINC000849231193 1335572797 /nfs/dbraw/zinc/57/27/97/1335572797.db2.gz WJQGTESVFIFBIG-QGZVFWFLSA-N 0 0 344.411 2.932 10 10 EFCERN CCOCc1cc(C[NH2+][C@@H](CC(=O)[O-])c2ccncc2)ccc1OC ZINC000849231192 1335572850 /nfs/dbraw/zinc/57/28/50/1335572850.db2.gz WJQGTESVFIFBIG-KRWDZBQOSA-N 0 0 344.411 2.932 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N[C@](C)(CCF)C2=O)cc1F ZINC000849355015 1335597489 /nfs/dbraw/zinc/59/74/89/1335597489.db2.gz XVYSSEZXUCQFSB-QGZVFWFLSA-N 0 0 339.386 2.842 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@](C)(CCF)C1=O ZINC000849356849 1335597674 /nfs/dbraw/zinc/59/76/74/1335597674.db2.gz KFCWEGYNLZAYLL-UGSOOPFHSA-N 0 0 335.423 2.662 10 10 EFCERN CCCN1C(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C(=O)[C@H]1CC ZINC000849357882 1335597965 /nfs/dbraw/zinc/59/79/65/1335597965.db2.gz QKNBWVSKGDVLJY-DOTOQJQBSA-N 0 0 345.443 2.727 10 10 EFCERN COc1ccc(N2CC[C@@H](N3C(=O)[C@H](CC(C)C)N(C)C3=O)C2)cc1 ZINC000849357941 1335598115 /nfs/dbraw/zinc/59/81/15/1335598115.db2.gz QWHZXZWGNFGXDG-WBVHZDCISA-N 0 0 345.443 2.583 10 10 EFCERN CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416226 1335610826 /nfs/dbraw/zinc/61/08/26/1335610826.db2.gz MREGAOBMOZGNQI-GJZGRUSLSA-N 0 0 340.489 2.630 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H](COC)OC)ccc21 ZINC000849723723 1335717854 /nfs/dbraw/zinc/71/78/54/1335717854.db2.gz BYMHSPHANRWJON-MRXNPFEDSA-N 0 0 349.427 2.723 10 10 EFCERN Cc1nnc(N2C[C@@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001361095780 1335954630 /nfs/dbraw/zinc/95/46/30/1335954630.db2.gz OXIKUMZNWYMZFD-FUHWJXTLSA-N 0 0 325.460 2.998 10 10 EFCERN CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2[O-])[NH+](C)C)cc1 ZINC001439959021 1389370318 /nfs/dbraw/zinc/37/03/18/1389370318.db2.gz BELKDIPHBJBQMF-KRWDZBQOSA-N 0 0 345.418 2.630 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)C1CC1 ZINC001446815429 1391611640 /nfs/dbraw/zinc/61/16/40/1391611640.db2.gz LAOBZXCYEJJNGH-SNVBAGLBSA-N 0 0 325.792 2.593 10 10 EFCERN Cc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c(O)c1O ZINC001448619835 1392117534 /nfs/dbraw/zinc/11/75/34/1392117534.db2.gz KCAAOJSLLMGQSW-UHFFFAOYSA-N 0 0 328.303 2.583 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2nsnc21 ZINC001449118647 1392253942 /nfs/dbraw/zinc/25/39/42/1392253942.db2.gz IJXDVIRTHRIUQZ-UHFFFAOYSA-N 0 0 334.397 2.813 10 10 EFCERN COc1ccc2c(=O)[nH]n(C(=O)C=Cc3ccc(O)c(O)c3)c2c1 ZINC001450562112 1392644685 /nfs/dbraw/zinc/64/46/85/1392644685.db2.gz DOEXRHVBSHMCDK-CLTKARDFSA-N 0 0 326.308 2.515 10 10 EFCERN Cc1cc(CNC(=O)/C=C/C(=O)N(C)C)c(C)n1-c1cccc(C)c1 ZINC001454629023 1393077118 /nfs/dbraw/zinc/07/71/18/1393077118.db2.gz ZFGCFPXYIQGEQM-MDZDMXLPSA-N 0 0 339.439 2.663 10 10 EFCERN C[C@@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccccc1O ZINC001454805462 1394247747 /nfs/dbraw/zinc/24/77/47/1394247747.db2.gz KETCGZLDFJQMRN-GFCCVEGCSA-N 0 0 340.358 2.662 10 10 EFCERN C[C@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC001454825055 1394274307 /nfs/dbraw/zinc/27/43/07/1394274307.db2.gz PQDKBSLRFISOQV-UPZNUWHASA-N 0 0 338.363 2.614 10 10 EFCERN Nc1cc(Br)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001455036267 1394526712 /nfs/dbraw/zinc/52/67/12/1394526712.db2.gz FTWNWYAEKJQQLP-UHFFFAOYSA-N 0 0 333.185 2.893 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001455350593 1394592606 /nfs/dbraw/zinc/59/26/06/1394592606.db2.gz SZIFQNDHJMFBCX-QGZVFWFLSA-N 0 0 343.379 2.586 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ncoc1-c1ccc(F)cc1 ZINC001455356000 1394593441 /nfs/dbraw/zinc/59/34/41/1394593441.db2.gz GBQDCGIPBARVJY-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN CC(C)(C)OC(=O)COCC(=O)NCc1c(O)ccc2ccccc21 ZINC001456310958 1394663830 /nfs/dbraw/zinc/66/38/30/1394663830.db2.gz RETDICRWWWBNPV-UHFFFAOYSA-N 0 0 345.395 2.520 10 10 EFCERN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCc1c(O)cccc1O ZINC001456326552 1394667301 /nfs/dbraw/zinc/66/73/01/1394667301.db2.gz YPIANJNQLCARGO-AWEZNQCLSA-N 0 0 337.379 2.659 10 10 EFCERN C=CC(=O)NCc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001457037318 1394934385 /nfs/dbraw/zinc/93/43/85/1394934385.db2.gz LEOJOBRXBBXGRF-UHFFFAOYSA-N 0 0 344.798 2.778 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001457036357 1394934493 /nfs/dbraw/zinc/93/44/93/1394934493.db2.gz GHNRPZINKUJHPM-GFCCVEGCSA-N 0 0 348.761 2.927 10 10 EFCERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001457037580 1394934946 /nfs/dbraw/zinc/93/49/46/1394934946.db2.gz MKSHHIOEQJRGBY-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN COc1ccn2c(c1)ncc2C(=O)NCc1cccc(Cl)c1O ZINC001457038168 1394935716 /nfs/dbraw/zinc/93/57/16/1394935716.db2.gz VLRPOGTZDQMLBQ-UHFFFAOYSA-N 0 0 331.759 2.632 10 10 EFCERN CC1=NO[C@](C)(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001457412205 1395102834 /nfs/dbraw/zinc/10/28/34/1395102834.db2.gz UEDMZHQVHYOBBV-SFHVURJKSA-N 0 0 335.367 2.890 10 10 EFCERN Oc1cccc(O)c1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC001458637882 1395533093 /nfs/dbraw/zinc/53/30/93/1395533093.db2.gz GOGXIHWODZLNHF-UHFFFAOYSA-N 0 0 339.380 2.876 10 10 EFCERN Oc1cccc(O)c1CNc1ncnc2c1ncn2-c1ccccc1 ZINC001458646218 1395537256 /nfs/dbraw/zinc/53/72/56/1395537256.db2.gz VAZCHVUFXVBPRQ-UHFFFAOYSA-N 0 0 333.351 2.839 10 10 EFCERN CCOc1ccc(N(C)CC(=O)c2cc(C(=O)OC)[nH]c2C)cc1 ZINC001460740691 1396249075 /nfs/dbraw/zinc/24/90/75/1396249075.db2.gz WAUVZKYFICGISH-UHFFFAOYSA-N 0 0 330.384 2.828 10 10 EFCERN CC(C)n1ccnc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001463779827 1396520079 /nfs/dbraw/zinc/52/00/79/1396520079.db2.gz VYIAPDJBQBRZMG-UHFFFAOYSA-N 0 0 342.443 2.573 10 10 EFCERN CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001463834320 1396523992 /nfs/dbraw/zinc/52/39/92/1396523992.db2.gz TZHUFZKZKIYLTJ-UHFFFAOYSA-N 0 0 342.395 2.761 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001464111336 1396547687 /nfs/dbraw/zinc/54/76/87/1396547687.db2.gz XYFJQTNBZYHBIX-UHFFFAOYSA-N 0 0 343.408 2.704 10 10 EFCERN CCCC(=O)Nc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001464214928 1396556917 /nfs/dbraw/zinc/55/69/17/1396556917.db2.gz GPKCJUBTPLKJIE-UHFFFAOYSA-N 0 0 342.395 2.695 10 10 EFCERN CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2C1 ZINC001464991668 1396637663 /nfs/dbraw/zinc/63/76/63/1396637663.db2.gz BDCLNPAUMDYRKG-UHFFFAOYSA-N 0 0 337.383 2.941 10 10 EFCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1noc(C)n1 ZINC001465703853 1396704247 /nfs/dbraw/zinc/70/42/47/1396704247.db2.gz GMZGUBZBWAGJRH-VIFPVBQESA-N 0 0 333.369 2.885 10 10 EFCERN COC(=O)Nc1cc(C(=O)N(C)Cc2ccccc2O)ccc1F ZINC001465844971 1396717108 /nfs/dbraw/zinc/71/71/08/1396717108.db2.gz ZXKZBWZGZNOJBL-UHFFFAOYSA-N 0 0 332.331 2.982 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(C)c(F)cc3N)CC2)cc1 ZINC001465889910 1396719658 /nfs/dbraw/zinc/71/96/58/1396719658.db2.gz PNLPPMFKJOZRQT-UHFFFAOYSA-N 0 0 343.402 2.687 10 10 EFCERN O=C(NCc1ccccc1O)c1ccccc1[S@](=O)C(F)(F)F ZINC001465990575 1396728509 /nfs/dbraw/zinc/72/85/09/1396728509.db2.gz NVKSJFBOZXESOH-QHCPKHFHSA-N 0 0 343.326 2.950 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)c(C=O)cc2F)c1 ZINC001465992701 1396729131 /nfs/dbraw/zinc/72/91/31/1396729131.db2.gz KYQYXWNHQRSFGC-VIFPVBQESA-N 0 0 335.306 2.983 10 10 EFCERN COc1ccc2cc(C(=O)NCc3cccc(OC)c3O)cnc2c1 ZINC001465993816 1396729489 /nfs/dbraw/zinc/72/94/89/1396729489.db2.gz WYTWKPHEFDCVFT-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN COC(=O)c1cc(F)cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC001465993538 1396729647 /nfs/dbraw/zinc/72/96/47/1396729647.db2.gz RZTHKTKTNWXJEO-SNVBAGLBSA-N 0 0 347.342 2.818 10 10 EFCERN Cc1csc(CCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001466791186 1396785399 /nfs/dbraw/zinc/78/53/99/1396785399.db2.gz QKFKUPLAWUIBCW-LLVKDONJSA-N 0 0 334.441 2.933 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC001466790271 1396785676 /nfs/dbraw/zinc/78/56/76/1396785676.db2.gz DOAYLXWOPZULOA-LLVKDONJSA-N 0 0 344.367 2.984 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001467841402 1396903106 /nfs/dbraw/zinc/90/31/06/1396903106.db2.gz WQTAIAQGBNWONF-UHFFFAOYSA-N 0 0 339.319 2.855 10 10 EFCERN CCO[C@@H]1COC[C@H]1NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001468060149 1396923900 /nfs/dbraw/zinc/92/39/00/1396923900.db2.gz DRLUZHHNSPWRQD-IEBWSBKVSA-N 0 0 342.439 2.936 10 10 EFCERN O=C(NCCOc1ccc(F)c(Cl)c1)c1cccc(O)c1O ZINC001468207606 1396933678 /nfs/dbraw/zinc/93/36/78/1396933678.db2.gz CIPBVICXIJACBC-UHFFFAOYSA-N 0 0 325.723 2.699 10 10 EFCERN COc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1OC ZINC001468575852 1396968904 /nfs/dbraw/zinc/96/89/04/1396968904.db2.gz DEUVBYUWEKZLJX-LBPRGKRZSA-N 0 0 345.395 2.843 10 10 EFCERN C=COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC001468858054 1396987312 /nfs/dbraw/zinc/98/73/12/1396987312.db2.gz OXNCGTGUCGGRJS-UHFFFAOYSA-N 0 0 348.380 2.538 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccnc1SC(F)F ZINC001469159041 1397006729 /nfs/dbraw/zinc/00/67/29/1397006729.db2.gz JNHFXJUWFMNXAB-UHFFFAOYSA-N 0 0 326.324 2.738 10 10 EFCERN C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C(=O)OC(C)(C)C ZINC001469225320 1397012836 /nfs/dbraw/zinc/01/28/36/1397012836.db2.gz STABUSMVDFDKTD-YVEFUNNKSA-N 0 0 349.427 2.609 10 10 EFCERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC001469538620 1397036430 /nfs/dbraw/zinc/03/64/30/1397036430.db2.gz VGJXSFOTZUEZAY-OWYVNGRQSA-N 0 0 326.824 2.904 10 10 EFCERN Cc1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001469542207 1397036614 /nfs/dbraw/zinc/03/66/14/1397036614.db2.gz NBCNSRRCNBQNCG-CQSZACIVSA-N 0 0 329.274 2.962 10 10 EFCERN C[C@@H](NC(=O)c1cn(Cc2cccs2)nn1)c1ccccc1O ZINC001471195725 1397149950 /nfs/dbraw/zinc/14/99/50/1397149950.db2.gz MZQJIHGNGLTUMU-LLVKDONJSA-N 0 0 328.397 2.585 10 10 EFCERN C[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)c1ccccc1O ZINC001471195892 1397150005 /nfs/dbraw/zinc/15/00/05/1397150005.db2.gz QCTPMFBRNUQFTI-QMTHXVAHSA-N 0 0 328.343 2.520 10 10 EFCERN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1NS(C)(=O)=O ZINC001471195649 1397150061 /nfs/dbraw/zinc/15/00/61/1397150061.db2.gz JXBIOVRNLIPIFD-GFCCVEGCSA-N 0 0 348.424 2.563 10 10 EFCERN Cn1cc(-c2ccc(F)c(C(=O)NCc3cccc(O)c3O)c2)cn1 ZINC001471642453 1397191476 /nfs/dbraw/zinc/19/14/76/1397191476.db2.gz UYOOLNLXDAUHNY-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN O=C(CCc1cnn(-c2ccccc2)c1)NCc1cccc(O)c1O ZINC001471644750 1397191646 /nfs/dbraw/zinc/19/16/46/1397191646.db2.gz YCNPRAWXZFOGLX-UHFFFAOYSA-N 0 0 337.379 2.533 10 10 EFCERN O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cc(O)ccc1O ZINC001471661388 1397194923 /nfs/dbraw/zinc/19/49/23/1397194923.db2.gz QHXIXBTWPOSCRP-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN COc1ccc2cc(C(=O)NCc3cc(O)ccc3O)c(C)nc2c1 ZINC001471661385 1397194929 /nfs/dbraw/zinc/19/49/29/1397194929.db2.gz QEBBXXJZALUJKV-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN COC(=O)CC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001471680907 1397197112 /nfs/dbraw/zinc/19/71/12/1397197112.db2.gz KMLWQUVXEFOBKB-GFCCVEGCSA-N 0 0 346.387 2.654 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2nc3cnccc3s2)cc1 ZINC001471797146 1397208627 /nfs/dbraw/zinc/20/86/27/1397208627.db2.gz XRIWTOFDKYIIMW-UHFFFAOYSA-N 0 0 340.368 2.784 10 10 EFCERN COc1ccc([S@@](C)(=O)=NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001471989502 1397232175 /nfs/dbraw/zinc/23/21/75/1397232175.db2.gz OWVREVJOPLGLSO-ZNMCKTMUSA-N 0 0 347.392 2.803 10 10 EFCERN CC(C)(C)OC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001472261000 1397254504 /nfs/dbraw/zinc/25/45/04/1397254504.db2.gz GSJNJVRIKLDGES-UHFFFAOYSA-N 0 0 349.427 2.801 10 10 EFCERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cc(F)ccc1N(C)C ZINC001472633969 1397263683 /nfs/dbraw/zinc/26/36/83/1397263683.db2.gz JZEGAUJKOJALOI-SECBINFHSA-N 0 0 336.338 2.933 10 10 EFCERN COc1ccc(N(CC(=O)N2C[C@@H](C)OC(C)(C)C2)CC2CC2)cc1 ZINC001473484432 1397305555 /nfs/dbraw/zinc/30/55/55/1397305555.db2.gz BZHJYUCXAWWJKI-OAHLLOKOSA-N 0 0 346.471 2.938 10 10 EFCERN COc1ccc(N2CCN(C(=O)NC3CC(C)(C)C3)CC2)c(OC)c1 ZINC001479013959 1397601913 /nfs/dbraw/zinc/60/19/13/1397601913.db2.gz WMNAFEGLHLZXGT-UHFFFAOYSA-N 0 0 347.459 2.724 10 10 EFCERN O=C(NCc1cccc2c1OCC2)NCc1cc(Cl)ccc1O ZINC001479413006 1397719268 /nfs/dbraw/zinc/71/92/68/1397719268.db2.gz VVMBFPCPYMGNMZ-UHFFFAOYSA-N 0 0 332.787 2.980 10 10 EFCERN CCc1nnc(N(C)C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001498593732 1402190931 /nfs/dbraw/zinc/19/09/31/1402190931.db2.gz FHKAGJNQZCPPIK-UHFFFAOYSA-N 0 0 325.460 2.870 10 10 EFCERN CCCCC(=O)NC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001500085135 1402930235 /nfs/dbraw/zinc/93/02/35/1402930235.db2.gz CGFZXUPYOYLBMH-LBPRGKRZSA-N 0 0 347.419 2.521 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCC(C)(C)O ZINC001503488465 1404485438 /nfs/dbraw/zinc/48/54/38/1404485438.db2.gz UTHMVEWUBBRKMM-UHFFFAOYSA-N 0 0 330.432 2.659 10 10 EFCERN CO[C@H](C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001503943124 1404515324 /nfs/dbraw/zinc/51/53/24/1404515324.db2.gz ZNDHTSYNKCRUCI-CQSZACIVSA-N 0 0 332.448 2.854 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@H](C)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001546296753 1405646927 /nfs/dbraw/zinc/64/69/27/1405646927.db2.gz WMTMEIXSOXEMSV-IFXJQAMLSA-N 0 0 326.440 2.866 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001546296755 1405647522 /nfs/dbraw/zinc/64/75/22/1405647522.db2.gz WMTMEIXSOXEMSV-LIRRHRJNSA-N 0 0 326.440 2.866 10 10 EFCERN CC(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508454245 1407472139 /nfs/dbraw/zinc/47/21/39/1407472139.db2.gz ADVSDDQDVTYMLT-NEPJUHHUSA-N 0 0 347.419 2.518 10 10 EFCERN Cc1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001510671764 1412800551 /nfs/dbraw/zinc/80/05/51/1412800551.db2.gz FUBDKXHYFIKHBB-OAHLLOKOSA-N 0 0 343.475 2.624 10 10 EFCERN CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001512671170 1413523597 /nfs/dbraw/zinc/52/35/97/1413523597.db2.gz KRJSTHJATFEVEB-LJQANCHMSA-N 0 0 346.475 2.980 10 10 EFCERN CN1Cc2ccccc2[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556095341 1415053192 /nfs/dbraw/zinc/05/31/92/1415053192.db2.gz PUPJVBBWAZZARU-INIZCTEOSA-N 0 0 337.383 2.766 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2ncccc2c1N ZINC001556157890 1415056394 /nfs/dbraw/zinc/05/63/94/1415056394.db2.gz MGOMQYJNKRBHIZ-SECBINFHSA-N 0 0 343.408 2.651 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cc(F)c1N ZINC001556157809 1415056504 /nfs/dbraw/zinc/05/65/04/1415056504.db2.gz KBOBYPQABAFTML-QMMMGPOBSA-N 0 0 338.766 2.834 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1nnc(C)n1C ZINC001556169522 1415057650 /nfs/dbraw/zinc/05/76/50/1415057650.db2.gz YHCCPILBAIPYKR-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(-c3ccccn3)nc2)c(O)c1 ZINC001556354648 1415065197 /nfs/dbraw/zinc/06/51/97/1415065197.db2.gz PSKPZRZDUTYNBZ-UHFFFAOYSA-N 0 0 335.363 2.788 10 10 EFCERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)c(OC)c(C)c1OC ZINC001556359394 1415065558 /nfs/dbraw/zinc/06/55/58/1415065558.db2.gz RNHFZBZPPXXTIA-UHFFFAOYSA-N 0 0 347.367 2.613 10 10 EFCERN COc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)c(O)c1 ZINC001556354053 1415065608 /nfs/dbraw/zinc/06/56/08/1415065608.db2.gz WTTLIYAOTLDFHU-UHFFFAOYSA-N 0 0 341.342 2.656 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCc1ccccn1 ZINC001556515602 1415073849 /nfs/dbraw/zinc/07/38/49/1415073849.db2.gz FJVUVLRSLATBIH-UHFFFAOYSA-N 0 0 337.441 2.823 10 10 EFCERN COC(=O)[C@@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001556740939 1415085877 /nfs/dbraw/zinc/08/58/77/1415085877.db2.gz KWZKGPYIXJOQCH-SFHVURJKSA-N 0 0 340.423 2.801 10 10 EFCERN Cc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001556937924 1415097096 /nfs/dbraw/zinc/09/70/96/1415097096.db2.gz IHVSEWHGWXHVER-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1cccc(C)c1 ZINC001557084507 1415103709 /nfs/dbraw/zinc/10/37/09/1415103709.db2.gz CACRHBWOQLCWJL-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1scc2c1OCCO2 ZINC001557121959 1415106235 /nfs/dbraw/zinc/10/62/35/1415106235.db2.gz DLOGZKBSXQZMPZ-UHFFFAOYSA-N 0 0 342.376 2.703 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CSc2ccccc2O1 ZINC001557168926 1415110190 /nfs/dbraw/zinc/11/01/90/1415110190.db2.gz YUVVLVGXWQCSJD-CYBMUJFWSA-N 0 0 345.420 2.700 10 10 EFCERN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C)n1-c1ccccc1 ZINC001557887440 1415149791 /nfs/dbraw/zinc/14/97/91/1415149791.db2.gz JBUWMYPTEINPPX-UHFFFAOYSA-N 0 0 339.355 2.655 10 10 EFCERN CCOC(=O)Nc1scnc1C(=O)N[C@H](C)c1ccccc1O ZINC001557967003 1415153050 /nfs/dbraw/zinc/15/30/50/1415153050.db2.gz TXCHIIWRXGBYIN-SECBINFHSA-N 0 0 335.385 2.908 10 10 EFCERN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCc1cccc(O)c1O ZINC001558162146 1415163103 /nfs/dbraw/zinc/16/31/03/1415163103.db2.gz VWRGAUGKKPSULE-HNNXBMFYSA-N 0 0 337.379 2.659 10 10 EFCERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001558174353 1415163876 /nfs/dbraw/zinc/16/38/76/1415163876.db2.gz KETBTEMKAKXBGB-VIFPVBQESA-N 0 0 339.750 2.974 10 10 EFCERN COCCCOc1cccc(C(=O)NCc2cc(O)ccc2O)c1C ZINC001558175253 1415164398 /nfs/dbraw/zinc/16/43/98/1415164398.db2.gz JWRLMKRKMIFAEE-UHFFFAOYSA-N 0 0 345.395 2.752 10 10 EFCERN COc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC001558757130 1415199679 /nfs/dbraw/zinc/19/96/79/1415199679.db2.gz QGEMCWRGTCEFAB-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN O=C(CNC(=O)OCc1ccccc1)NCc1cccc(Cl)c1O ZINC001558756918 1415199866 /nfs/dbraw/zinc/19/98/66/1415199866.db2.gz HVKCBMPQQXZTTK-UHFFFAOYSA-N 0 0 348.786 2.588 10 10 EFCERN COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1Cl ZINC001559031612 1415219679 /nfs/dbraw/zinc/21/96/79/1415219679.db2.gz OCFILVFHJHKGTK-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001559163046 1415227149 /nfs/dbraw/zinc/22/71/49/1415227149.db2.gz HDGMUEZZBGXMER-SECBINFHSA-N 0 0 328.328 2.925 10 10 EFCERN COc1ccc(N(CCc2ccccc2)CCN2CCNC2=O)cc1 ZINC001559624694 1415251607 /nfs/dbraw/zinc/25/16/07/1415251607.db2.gz SKMXLTPWOSAUAI-UHFFFAOYSA-N 0 0 339.439 2.770 10 10 EFCERN CCC[C@H](C(=O)OCC)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667172 1415253111 /nfs/dbraw/zinc/25/31/11/1415253111.db2.gz MSPXTNAXZQDWDI-GOSISDBHSA-N 0 0 334.460 2.939 10 10 EFCERN COc1ccnc(CNC(=O)NCc2cccc(Cl)c2O)c1F ZINC001565093279 1415389627 /nfs/dbraw/zinc/38/96/27/1415389627.db2.gz UYQRDVQNFUXFRX-UHFFFAOYSA-N 0 0 339.754 2.588 10 10 EFCERN Cc1cc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[nH]n1 ZINC001565726860 1415412433 /nfs/dbraw/zinc/41/24/33/1415412433.db2.gz DOLGYWQZJLDICU-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN CC(C)(C)c1ccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001566311428 1415539267 /nfs/dbraw/zinc/53/92/67/1415539267.db2.gz KFIATIFUFWZCBW-SFHVURJKSA-N 0 0 343.423 2.788 10 10 EFCERN COc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)co1 ZINC001566303028 1415539433 /nfs/dbraw/zinc/53/94/33/1415539433.db2.gz UYYXHCAYGSWWIP-UHFFFAOYSA-N 0 0 328.324 2.824 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3N)CC2)cc1 ZINC001566326443 1415540447 /nfs/dbraw/zinc/54/04/47/1415540447.db2.gz MFHMHAORAMZUEX-UHFFFAOYSA-N 0 0 347.365 2.518 10 10 EFCERN CCCCNc1nc(CC(=O)NCc2ccc(O)c(O)c2)cs1 ZINC001566358764 1415542904 /nfs/dbraw/zinc/54/29/04/1415542904.db2.gz LXZKAHCOHVWUFF-UHFFFAOYSA-N 0 0 335.429 2.625 10 10 EFCERN O=C(NCc1ccccc1O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001566373741 1415543466 /nfs/dbraw/zinc/54/34/66/1415543466.db2.gz CKAWKQUKHWSUNN-UHFFFAOYSA-N 0 0 336.273 2.612 10 10 EFCERN COc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1O ZINC001566374124 1415544356 /nfs/dbraw/zinc/54/43/56/1415544356.db2.gz UXZRKXWYKWCILQ-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1F ZINC001566568076 1415651121 /nfs/dbraw/zinc/65/11/21/1415651121.db2.gz YZPFOAQQHXXGOU-UHFFFAOYSA-N 0 0 341.342 2.912 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC001566970702 1415883074 /nfs/dbraw/zinc/88/30/74/1415883074.db2.gz CIAHKNUPNHKLHY-OAHLLOKOSA-N 0 0 341.285 2.875 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1[C@H](O)C(F)(F)F ZINC001566970701 1415883569 /nfs/dbraw/zinc/88/35/69/1415883569.db2.gz CIAHKNUPNHKLHY-HNNXBMFYSA-N 0 0 341.285 2.875 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001567034308 1415908243 /nfs/dbraw/zinc/90/82/43/1415908243.db2.gz AJORBZLBPGQKNE-AEFFLSMTSA-N 0 0 342.439 2.530 10 10 EFCERN CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001567256421 1416028150 /nfs/dbraw/zinc/02/81/50/1416028150.db2.gz ICVRMJGHNMOWBW-SECBINFHSA-N 0 0 329.364 2.582 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001567387810 1416109194 /nfs/dbraw/zinc/10/91/94/1416109194.db2.gz IXNJIDSUNQBETK-KRWDZBQOSA-N 0 0 341.407 2.501 10 10 EFCERN Cc1sc(Cl)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001567464492 1416148889 /nfs/dbraw/zinc/14/88/89/1416148889.db2.gz AKCOYNSAEZVGBW-ZETCQYMHSA-N 0 0 326.805 2.877 10 10 EFCERN COc1c2ccccc2oc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001567777089 1416281567 /nfs/dbraw/zinc/28/15/67/1416281567.db2.gz JEIXKJXXWKEKBF-UHFFFAOYSA-N 0 0 327.336 2.712 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](CO)[C@H]3C)c2C)cc1 ZINC001568204350 1416440259 /nfs/dbraw/zinc/44/02/59/1416440259.db2.gz ZAIUCSLFRYIUGX-ZBFHGGJFSA-N 0 0 342.439 2.946 10 10 EFCERN CCc1ccccc1-n1cc(C(=O)NCc2cc(C)ccc2O)nn1 ZINC001645805215 1416561179 /nfs/dbraw/zinc/56/11/79/1416561179.db2.gz XCKAGKISDNYKMC-UHFFFAOYSA-N 0 0 336.395 2.774 10 10 EFCERN Cc1c(Br)cncc1C(=O)NCc1c(O)cccc1F ZINC001646034961 1416604040 /nfs/dbraw/zinc/60/40/40/1416604040.db2.gz PRNDWGFYIJHIPK-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN CCOC(=O)[C@@](C)(CNC(=O)c1ccc(C)c(O)c1O)CC(C)C ZINC001646224761 1416635779 /nfs/dbraw/zinc/63/57/79/1416635779.db2.gz VVKCIMRSPWCWLT-GOSISDBHSA-N 0 0 337.416 2.752 10 10 EFCERN Cc1cc(CNC(=O)NC[C@H](O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC001683303809 1416679977 /nfs/dbraw/zinc/67/99/77/1416679977.db2.gz PSUFUAAZZZAJPZ-IBGZPJMESA-N 0 0 341.455 2.973 10 10 EFCERN CCC[C@H](CCO)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001683424540 1416680806 /nfs/dbraw/zinc/68/08/06/1416680806.db2.gz FDLBEFLCIGFIOI-NVXWUHKLSA-N 0 0 335.492 2.842 10 10 EFCERN CCC[C@@H](CCO)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001683424541 1416680964 /nfs/dbraw/zinc/68/09/64/1416680964.db2.gz FDLBEFLCIGFIOI-RDJZCZTQSA-N 0 0 335.492 2.842 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCC3CC(C)C3)CC2)c(OC)c1 ZINC001684137861 1416701211 /nfs/dbraw/zinc/70/12/11/1416701211.db2.gz MFJQPJKGZMHPSC-UHFFFAOYSA-N 0 0 347.459 2.582 10 10 EFCERN O=C(NCc1ccc(Br)cn1)N1Cc2cccc(O)c2C1 ZINC001684681374 1416727606 /nfs/dbraw/zinc/72/76/06/1416727606.db2.gz MTYUELIXWZOYFE-UHFFFAOYSA-N 0 0 348.200 2.775 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC001686826972 1416811069 /nfs/dbraw/zinc/81/10/69/1416811069.db2.gz UEHADKXQPRNHTA-OIPACUDHSA-N 0 0 333.476 2.857 10 10 EFCERN CCc1noc([C@H]2CC[C@@H](NC(=O)NCc3cc(C)ccc3O)C2)n1 ZINC001687745018 1416871857 /nfs/dbraw/zinc/87/18/57/1416871857.db2.gz BRNBSSDOMFPQBJ-GXTWGEPZSA-N 0 0 344.415 2.782 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001687877534 1416889933 /nfs/dbraw/zinc/88/99/33/1416889933.db2.gz HQUHGVVEDVSCHW-RCCFBDPRSA-N 0 0 329.444 2.748 10 10 EFCERN Cc1ncc(Cn2c(C)nnc2N(C)Cc2ccccc2O)s1 ZINC001693379075 1417286267 /nfs/dbraw/zinc/28/62/67/1417286267.db2.gz SIECUPUYDUCOJZ-UHFFFAOYSA-N 0 0 329.429 2.742 10 10 EFCERN Nc1ccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000160680797 1418470263 /nfs/dbraw/zinc/47/02/63/1418470263.db2.gz DXWCWMQMWZXPCV-CQSZACIVSA-N 0 0 339.222 2.968 10 10 EFCERN COc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1 ZINC000242777939 1419128019 /nfs/dbraw/zinc/12/80/19/1419128019.db2.gz DVDIQRCXPXAZOP-UHFFFAOYSA-N 0 0 347.459 2.868 10 10 EFCERN Nc1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000171531575 1423268604 /nfs/dbraw/zinc/26/86/04/1423268604.db2.gz DGMJQNIWZPSDQG-UHFFFAOYSA-N 0 0 344.358 2.809 10 10 EFCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCCCO ZINC001723143574 1424434427 /nfs/dbraw/zinc/43/44/27/1424434427.db2.gz ICTFXTQZBBYEGC-UHFFFAOYSA-N 0 0 332.448 2.906 10 10 EFCERN CCCC(=O)NCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001726293664 1426233215 /nfs/dbraw/zinc/23/32/15/1426233215.db2.gz WGDHDXLKXSRYGZ-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN CCN(C)c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1 ZINC001728274866 1426313661 /nfs/dbraw/zinc/31/36/61/1426313661.db2.gz VPQVVRPOUMOEQG-UHFFFAOYSA-N 0 0 331.489 2.644 10 10 EFCERN CCOCCN(C)c1nnc(CC)n1Cc1ccc(N(C)C)cc1C ZINC001729145171 1426322019 /nfs/dbraw/zinc/32/20/19/1426322019.db2.gz FUVDULXQNAGOQY-UHFFFAOYSA-N 0 0 345.491 2.736 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000890595267 713103263 /nfs/dbraw/zinc/10/32/63/713103263.db2.gz ONPSNNCXWDYWDD-OJYSIEITSA-N 0 0 347.411 2.738 10 10 EFCERN C[C@H](C(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000804738715 713456414 /nfs/dbraw/zinc/45/64/14/713456414.db2.gz ATRWAIKPVNBVEP-ZCFIWIBFSA-N 0 0 326.112 2.969 10 10 EFCERN O=C(CC[C@@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000804732847 713454512 /nfs/dbraw/zinc/45/45/12/713454512.db2.gz DLTXUSVSNCGEJH-SNVBAGLBSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cc(C2CC2)on1 ZINC000804736941 713455935 /nfs/dbraw/zinc/45/59/35/713455935.db2.gz FRUFAJGVDDKYRJ-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccnc(C2CC2)n1 ZINC000804739041 713456304 /nfs/dbraw/zinc/45/63/04/713456304.db2.gz OJVUHNXEMTZNIR-UHFFFAOYSA-N 0 0 348.200 2.752 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1COc2ccccc21 ZINC000804738132 713456528 /nfs/dbraw/zinc/45/65/28/713456528.db2.gz DCMDMAWNFGKGMM-CYBMUJFWSA-N 0 0 348.196 2.947 10 10 EFCERN CC1(OCC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804739661 713456748 /nfs/dbraw/zinc/45/67/48/713456748.db2.gz NTJZHYGLMMHPQW-UHFFFAOYSA-N 0 0 328.206 2.730 10 10 EFCERN Cc1nn(C)c(NCc2cc(Br)ccc2O)c1[N+](=O)[O-] ZINC000804828325 713488172 /nfs/dbraw/zinc/48/81/72/713488172.db2.gz NEWPVLNGLQCHOT-UHFFFAOYSA-N 0 0 341.165 2.717 10 10 EFCERN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000175810830 714210650 /nfs/dbraw/zinc/21/06/50/714210650.db2.gz VDMXLSGIDJZKDY-JTQLQIEISA-N 0 0 325.380 2.896 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](C(F)(F)F)C3)cc2N1 ZINC000177803475 714337955 /nfs/dbraw/zinc/33/79/55/714337955.db2.gz NGSKULIMSYBJER-MRVPVSSYSA-N 0 0 345.277 2.704 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1[O-] ZINC000188403138 714539890 /nfs/dbraw/zinc/53/98/90/714539890.db2.gz BWEWYICSCGISPS-CYBMUJFWSA-N 0 0 336.779 2.815 10 10 EFCERN CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)(C)S(C)(=O)=O ZINC000161033028 714803774 /nfs/dbraw/zinc/80/37/74/714803774.db2.gz NCLWAIKLWYEIOA-UHFFFAOYSA-N 0 0 343.489 2.650 10 10 EFCERN COc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1F ZINC000090369171 715069981 /nfs/dbraw/zinc/06/99/81/715069981.db2.gz FTVXFMBHMDZQNB-UHFFFAOYSA-N 0 0 330.359 2.923 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc(C)c(C)c1 ZINC000177417428 718030034 /nfs/dbraw/zinc/03/00/34/718030034.db2.gz WQHOXCDENMJGTG-KRWDZBQOSA-N 0 0 347.480 2.980 10 10 EFCERN COc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C)c1O ZINC000161106197 715198521 /nfs/dbraw/zinc/19/85/21/715198521.db2.gz KRNHWXAFEIFTNC-UHFFFAOYSA-N 0 0 341.816 2.841 10 10 EFCERN CC(C)c1noc(CCCNC(=O)N(C)Cc2ccccc2O)n1 ZINC000161189618 715372555 /nfs/dbraw/zinc/37/25/55/715372555.db2.gz AYVNZNYZUGFJFS-UHFFFAOYSA-N 0 0 332.404 2.673 10 10 EFCERN O=C(NCc1cscn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000051750311 715590393 /nfs/dbraw/zinc/59/03/93/715590393.db2.gz JVNPCFYDSSGMTB-HNNXBMFYSA-N 0 0 347.440 2.740 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924493461 716376723 /nfs/dbraw/zinc/37/67/23/716376723.db2.gz AFCYOYXOQUCTPP-DGCLKSJQSA-N 0 0 332.322 2.644 10 10 EFCERN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724952896 716487439 /nfs/dbraw/zinc/48/74/39/716487439.db2.gz KWBRUBFLESTFNK-DMLGSKKGSA-N 0 0 332.625 2.811 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000066927088 716517598 /nfs/dbraw/zinc/51/75/98/716517598.db2.gz PHRCKZVYUINIMC-KBPBESRZSA-N 0 0 337.439 2.991 10 10 EFCERN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895273809 723967752 /nfs/dbraw/zinc/96/77/52/723967752.db2.gz DWCPIHDLWIUAOZ-IINYFYTJSA-N 0 0 330.197 2.762 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2ncon2)cc1 ZINC000178110232 718254412 /nfs/dbraw/zinc/25/44/12/718254412.db2.gz CTUSGWCEJKMXSY-UHFFFAOYSA-N 0 0 340.339 2.512 10 10 EFCERN COc1ccc(CNC(=O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840883544 718317635 /nfs/dbraw/zinc/31/76/35/718317635.db2.gz FNAKPRIJKFQDKU-UHFFFAOYSA-N 0 0 348.830 2.769 10 10 EFCERN O=C(N[C@@H](CO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897329674 724585871 /nfs/dbraw/zinc/58/58/71/724585871.db2.gz RWSQOMKLVFOQPN-LBPRGKRZSA-N 0 0 335.425 2.984 10 10 EFCERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928709449 724586918 /nfs/dbraw/zinc/58/69/18/724586918.db2.gz ILPPIPPZQGNNGS-NSHDSACASA-N 0 0 340.395 2.793 10 10 EFCERN O=C(Cc1ccccc1N1CCCC1=O)NCc1c(O)cccc1F ZINC000928710362 724587143 /nfs/dbraw/zinc/58/71/43/724587143.db2.gz KSBHXXAKVZHZOO-UHFFFAOYSA-N 0 0 342.370 2.517 10 10 EFCERN CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000143618013 724592903 /nfs/dbraw/zinc/59/29/03/724592903.db2.gz BEUZWNBMSXXDGT-BJMVGYQFSA-N 0 0 339.354 2.724 10 10 EFCERN Cc1cc(O)c(CN2CCC3(CCC3)S(=O)(=O)CC2)c(Cl)c1 ZINC000840969211 719769252 /nfs/dbraw/zinc/76/92/52/719769252.db2.gz CGLJRKUWIPOLIH-UHFFFAOYSA-N 0 0 343.876 2.897 10 10 EFCERN CCOc1cccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181232082 720015519 /nfs/dbraw/zinc/01/55/19/720015519.db2.gz ZQBXKDMVDHRHKA-VQHVLOKHSA-N 0 0 327.380 2.869 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cccc(O)c3)CC2)cc1 ZINC000182296700 720110080 /nfs/dbraw/zinc/11/00/80/720110080.db2.gz CUZUXORZFIQTMD-UHFFFAOYSA-N 0 0 326.396 2.800 10 10 EFCERN COC(=O)c1c(CN2CCOC3(CCC3)C2)c2cc(F)ccc2n1C ZINC000894051072 720251170 /nfs/dbraw/zinc/25/11/70/720251170.db2.gz YGOPJOSGMMITQF-UHFFFAOYSA-N 0 0 346.402 2.859 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000894093101 720276827 /nfs/dbraw/zinc/27/68/27/720276827.db2.gz CGSWGAHMLCXLHL-JKSUJKDBSA-N 0 0 347.411 2.627 10 10 EFCERN CO[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1C ZINC000190927917 720701197 /nfs/dbraw/zinc/70/11/97/720701197.db2.gz OBVMPYRGUPPXAB-VXGBXAGGSA-N 0 0 329.491 2.692 10 10 EFCERN CO[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1C ZINC000190927902 720701201 /nfs/dbraw/zinc/70/12/01/720701201.db2.gz OBVMPYRGUPPXAB-RYUDHWBXSA-N 0 0 329.491 2.692 10 10 EFCERN COCCN(C)c1ccc(CN2CCc3cc(OC)ccc32)cn1 ZINC000191153525 720719990 /nfs/dbraw/zinc/71/99/90/720719990.db2.gz SJVKEQNFYWEGOZ-UHFFFAOYSA-N 0 0 327.428 2.736 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000319857479 722654203 /nfs/dbraw/zinc/65/42/03/722654203.db2.gz GDMKUJSVXGMECI-CYBMUJFWSA-N 0 0 337.725 2.747 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC(=O)[C@H](C)C2)cc1F ZINC000917611347 728767734 /nfs/dbraw/zinc/76/77/34/728767734.db2.gz LJTUXKWILCKLQY-CYBMUJFWSA-N 0 0 335.423 2.792 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@H]1CCCC1(F)F ZINC000925078408 722824084 /nfs/dbraw/zinc/82/40/84/722824084.db2.gz LSXMWYRPJOEFHE-ZDUSSCGKSA-N 0 0 338.354 2.982 10 10 EFCERN COCCN(Cc1cnn(CCF)c1)c1ccc(OC)c(OC)c1 ZINC000929996759 728781385 /nfs/dbraw/zinc/78/13/85/728781385.db2.gz YHMNTHNIASDGEB-UHFFFAOYSA-N 0 0 337.395 2.523 10 10 EFCERN CCc1nc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)co1 ZINC000894917209 723028221 /nfs/dbraw/zinc/02/82/21/723028221.db2.gz LFJDQDUWORBQEX-UHFFFAOYSA-N 0 0 345.374 2.944 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000793258025 723180309 /nfs/dbraw/zinc/18/03/09/723180309.db2.gz GHQHSKCSZVQAKW-LLVKDONJSA-N 0 0 326.234 2.931 10 10 EFCERN COC(=O)C1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896217349 723205486 /nfs/dbraw/zinc/20/54/86/723205486.db2.gz JYIFMKPYEBNRFP-UHFFFAOYSA-N 0 0 349.408 2.774 10 10 EFCERN CC(C)(C)[S@](=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896320636 723251491 /nfs/dbraw/zinc/25/14/91/723251491.db2.gz AFGLPTCRIQCDHJ-JOCHJYFZSA-N 0 0 341.454 2.590 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000896402695 723287432 /nfs/dbraw/zinc/28/74/32/723287432.db2.gz RHZGQJDQLQRLRD-KRWDZBQOSA-N 0 0 345.487 2.714 10 10 EFCERN Cc1cc(CN(C)C(=O)NCCCSc2nccs2)no1 ZINC000154600388 728820103 /nfs/dbraw/zinc/82/01/03/728820103.db2.gz VVLRGSBXMYHXLH-UHFFFAOYSA-N 0 0 326.447 2.763 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H](C)CO1 ZINC000896760230 723467427 /nfs/dbraw/zinc/46/74/27/723467427.db2.gz ZAPRPPBGQCKQDC-QMTHXVAHSA-N 0 0 342.233 2.928 10 10 EFCERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC000154627673 728828932 /nfs/dbraw/zinc/82/89/32/728828932.db2.gz XXVPQBVOMVZSAP-DIFFPNOSSA-N 0 0 335.359 2.968 10 10 EFCERN Cc1nccn1CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897143562 724051042 /nfs/dbraw/zinc/05/10/42/724051042.db2.gz DEXVYLRDAPJHQX-UHFFFAOYSA-N 0 0 345.424 2.980 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000897158097 724054810 /nfs/dbraw/zinc/05/48/10/724054810.db2.gz AWQDEZFSGKCMNY-WDEREUQCSA-N 0 0 333.409 2.811 10 10 EFCERN CC(C)CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895406591 724119212 /nfs/dbraw/zinc/11/92/12/724119212.db2.gz FHAUPYJPKNHNGW-UHFFFAOYSA-N 0 0 334.441 2.726 10 10 EFCERN CC1(C)C[C@@H](O)C[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895460398 724144172 /nfs/dbraw/zinc/14/41/72/724144172.db2.gz OHTGBPQOZDDJJW-LLVKDONJSA-N 0 0 332.213 2.887 10 10 EFCERN C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]21 ZINC000895461866 724144721 /nfs/dbraw/zinc/14/47/21/724144721.db2.gz PUXMHULVNVEPLK-IINYFYTJSA-N 0 0 343.240 2.820 10 10 EFCERN C[C@@H]1CO[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 ZINC000895601994 724215576 /nfs/dbraw/zinc/21/55/76/724215576.db2.gz UOGRZJPMMQQNQW-SNRMKQJTSA-N 0 0 346.471 2.685 10 10 EFCERN COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000895633955 724228266 /nfs/dbraw/zinc/22/82/66/724228266.db2.gz HUNZXLUEOMPSGI-SFHVURJKSA-N 0 0 333.815 2.978 10 10 EFCERN COc1c([O-])c(C[NH+]2CCC3(CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000895652962 724246904 /nfs/dbraw/zinc/24/69/04/724246904.db2.gz BGRVIDPBFHBMPH-UHFFFAOYSA-N 0 0 336.388 2.844 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000895712079 724271286 /nfs/dbraw/zinc/27/12/86/724271286.db2.gz WULRCDSSNVAXON-UHFFFAOYSA-N 0 0 342.395 2.905 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC000895755504 724299710 /nfs/dbraw/zinc/29/97/10/724299710.db2.gz IBDYDFGYEVZZEE-MRXNPFEDSA-N 0 0 333.428 2.717 10 10 EFCERN C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])O2)[C@H]1C ZINC000895818135 724330806 /nfs/dbraw/zinc/33/08/06/724330806.db2.gz BRMMTLOSIKJUBM-NDBFUVGKSA-N 0 0 327.371 2.733 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836834 724344036 /nfs/dbraw/zinc/34/40/36/724344036.db2.gz PKQAWRKHPQQJAR-LBPRGKRZSA-N 0 0 327.705 2.931 10 10 EFCERN CCCOc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)OC)cc1C ZINC000895865957 724360928 /nfs/dbraw/zinc/36/09/28/724360928.db2.gz RKLPNVVZKUBPOH-IRXDYDNUSA-N 0 0 335.444 2.984 10 10 EFCERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1O ZINC000895867311 724361791 /nfs/dbraw/zinc/36/17/91/724361791.db2.gz VTHSCNRUPYNRSA-TZMCWYRMSA-N 0 0 327.808 2.554 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000728979449 724938771 /nfs/dbraw/zinc/93/87/71/724938771.db2.gz IFVGFYSZZSIAGB-JSGCOSHPSA-N 0 0 327.380 2.829 10 10 EFCERN O=S(=O)([C@@H]1C[C@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000918881429 728938982 /nfs/dbraw/zinc/93/89/82/728938982.db2.gz IXSXHJDZNOMICH-WMLDXEAASA-N 0 0 333.384 2.733 10 10 EFCERN O=S(=O)([C@H]1C[C@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000918881432 728939019 /nfs/dbraw/zinc/93/90/19/728939019.db2.gz IXSXHJDZNOMICH-YOEHRIQHSA-N 0 0 333.384 2.733 10 10 EFCERN CC(C)OC(=O)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897408782 725432005 /nfs/dbraw/zinc/43/20/05/725432005.db2.gz QHOTVYBYUFDMEH-UHFFFAOYSA-N 0 0 337.397 2.774 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000151599925 725785317 /nfs/dbraw/zinc/78/53/17/725785317.db2.gz PHQBTIFERFGLOA-INIZCTEOSA-N 0 0 349.390 2.756 10 10 EFCERN CC(C)(C)OC(=O)NC1CC(CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000913726119 725836970 /nfs/dbraw/zinc/83/69/70/725836970.db2.gz IIFXPRSSGHWJSI-UHFFFAOYSA-N 0 0 346.427 2.928 10 10 EFCERN CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H](C)c1ccccc1O ZINC000913763863 725853381 /nfs/dbraw/zinc/85/33/81/725853381.db2.gz TZRPJYYQYGOHBF-ZDUSSCGKSA-N 0 0 347.436 2.606 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)c2c(C)sc(C)c2C)c1 ZINC000914163075 726092861 /nfs/dbraw/zinc/09/28/61/726092861.db2.gz UYWDQCQUNPPPHL-UHFFFAOYSA-N 0 0 341.454 2.866 10 10 EFCERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000914335099 726241112 /nfs/dbraw/zinc/24/11/12/726241112.db2.gz KIOHSDTXZNAGLE-HOCLYGCPSA-N 0 0 349.500 2.607 10 10 EFCERN C[C@@H](NS(=O)(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000914392341 726277876 /nfs/dbraw/zinc/27/78/76/726277876.db2.gz YSRBQVSHYCAOHQ-CYBMUJFWSA-N 0 0 348.472 2.714 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1csc(C(=O)OC)n1 ZINC000906993386 726842096 /nfs/dbraw/zinc/84/20/96/726842096.db2.gz DOSXTAGNBBJPHZ-UHFFFAOYSA-N 0 0 334.397 2.688 10 10 EFCERN O=C(NCc1ccccc1O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000907057358 726855973 /nfs/dbraw/zinc/85/59/73/726855973.db2.gz VPZGEUMWYZLDDS-UHFFFAOYSA-N 0 0 325.364 2.511 10 10 EFCERN O=C([C@@H]1CCO[C@H]1C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000907105626 726861934 /nfs/dbraw/zinc/86/19/34/726861934.db2.gz UVJHCIKIAKXNTQ-SCTDSRPQSA-N 0 0 345.439 2.715 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1C1CCCC1 ZINC000907272142 726899516 /nfs/dbraw/zinc/89/95/16/726899516.db2.gz FHYQRPFZSHOBFC-GFCCVEGCSA-N 0 0 343.427 2.850 10 10 EFCERN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531149 726914844 /nfs/dbraw/zinc/91/48/44/726914844.db2.gz OEVQFJIZFHLWBY-CQSZACIVSA-N 0 0 344.377 2.895 10 10 EFCERN C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@@H]1C1CC1 ZINC000907350225 726919930 /nfs/dbraw/zinc/91/99/30/726919930.db2.gz ADGIRKPSLIPWHL-NVXWUHKLSA-N 0 0 333.409 3.000 10 10 EFCERN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907349953 726919992 /nfs/dbraw/zinc/91/99/92/726919992.db2.gz ZACHHTPMUAHOPV-IUCAKERBSA-N 0 0 337.397 2.630 10 10 EFCERN O=C(NCc1ccccc1O)c1[nH]nc2ccc(Br)cc21 ZINC000731878897 726948382 /nfs/dbraw/zinc/94/83/82/726948382.db2.gz PXMDJGTYDWKNHG-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN COc1ccccc1[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000907493010 726953866 /nfs/dbraw/zinc/95/38/66/726953866.db2.gz NRMPUPSJGRQOEE-UGSOOPFHSA-N 0 0 328.412 2.672 10 10 EFCERN C[C@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)c1ccc(N(C)C)cc1 ZINC000907493803 726954018 /nfs/dbraw/zinc/95/40/18/726954018.db2.gz SZXNVVOKTBPIDB-LBPRGKRZSA-N 0 0 338.411 2.612 10 10 EFCERN Cc1cc(C(=O)COC(=O)c2cc[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000915427260 726985088 /nfs/dbraw/zinc/98/50/88/726985088.db2.gz DGYSISFBBXIYBS-UHFFFAOYSA-N 0 0 341.342 2.996 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NCc1cccc(Br)c1O ZINC000907756999 727009126 /nfs/dbraw/zinc/00/91/26/727009126.db2.gz BQKFANUMTKEBKS-UHFFFAOYSA-N 0 0 328.206 2.776 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)/C=C(/C)CN1CCOCC1 ZINC000908044734 727085941 /nfs/dbraw/zinc/08/59/41/727085941.db2.gz FAXOHIHMLQXVAU-VKAVYKQESA-N 0 0 346.471 2.799 10 10 EFCERN COc1ccc(CNC(=O)CN2CCCc3cc(OC)ccc32)cc1 ZINC000027578984 727275359 /nfs/dbraw/zinc/27/53/59/727275359.db2.gz MBSWRYVDYYPKSI-UHFFFAOYSA-N 0 0 340.423 2.773 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000910559960 727452793 /nfs/dbraw/zinc/45/27/93/727452793.db2.gz YRVPVOAEMOJGPO-JCGIZDLHSA-N 0 0 346.471 2.698 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910951999 727472847 /nfs/dbraw/zinc/47/28/47/727472847.db2.gz OGWMHBSTTBEPIA-MEDUHNTESA-N 0 0 340.379 2.622 10 10 EFCERN Cc1cncc(/C=C\C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)c1 ZINC000911690561 727583455 /nfs/dbraw/zinc/58/34/55/727583455.db2.gz QFLDZUKGHDRIOU-YVACAVLKSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ccncc1/C=C\C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911692175 727584094 /nfs/dbraw/zinc/58/40/94/727584094.db2.gz NDTQHPQBSHEDFB-GXMNPTEKSA-N 0 0 326.371 2.740 10 10 EFCERN COc1ccc(N2CCN(C(=O)CO[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000733085121 727666663 /nfs/dbraw/zinc/66/66/63/727666663.db2.gz AUEGYSGJYHKZFF-VQIMIIECSA-N 0 0 346.471 2.939 10 10 EFCERN N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 ZINC000733781797 727735448 /nfs/dbraw/zinc/73/54/48/727735448.db2.gz NQIWIBHIWOZUAG-UKTHLTGXSA-N 0 0 332.385 2.724 10 10 EFCERN O=C(CC(F)(F)C(F)F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709349 727735822 /nfs/dbraw/zinc/73/58/22/727735822.db2.gz HYCVYMIKTIFAMR-UHFFFAOYSA-N 0 0 348.340 2.554 10 10 EFCERN CN=[S@@](C)(=O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000912799676 727745805 /nfs/dbraw/zinc/74/58/05/727745805.db2.gz LMVMFLYBIKVCLH-QHCPKHFHSA-N 0 0 333.457 2.552 10 10 EFCERN CC(C)(C)c1cnc(SC2CCN(S(C)(=O)=O)CC2)s1 ZINC000917216657 727784912 /nfs/dbraw/zinc/78/49/12/727784912.db2.gz BBOACIDPXJAJJR-UHFFFAOYSA-N 0 0 334.532 2.957 10 10 EFCERN CCCOc1ccc(CNC(=O)NCc2c(O)cccc2F)cn1 ZINC000917408040 727804239 /nfs/dbraw/zinc/80/42/39/727804239.db2.gz SUAHMUPKBAXTLX-UHFFFAOYSA-N 0 0 333.363 2.715 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(C4CC4)CCC3)CC2)c(OC)c1 ZINC000913482336 727850162 /nfs/dbraw/zinc/85/01/62/727850162.db2.gz MLBSKRHPXYQJJB-UHFFFAOYSA-N 0 0 344.455 2.933 10 10 EFCERN CCc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F ZINC000163774752 727885289 /nfs/dbraw/zinc/88/52/89/727885289.db2.gz YDOUISUBWLTZTA-UHFFFAOYSA-N 0 0 330.359 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1 ZINC000055446566 727936470 /nfs/dbraw/zinc/93/64/70/727936470.db2.gz JNCILVLMNOPLKH-SFHVURJKSA-N 0 0 345.487 2.796 10 10 EFCERN COc1cccc(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000927622375 727960555 /nfs/dbraw/zinc/96/05/55/727960555.db2.gz RYKMIBGWZDZWPX-CYBMUJFWSA-N 0 0 336.432 2.794 10 10 EFCERN CC(=O)N1CCC[C@H](c2[nH]ccc2C(=O)N2CCc3ccccc32)C1 ZINC000169789214 728403545 /nfs/dbraw/zinc/40/35/45/728403545.db2.gz OFKIALLCVQGUIB-INIZCTEOSA-N 0 0 337.423 2.944 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)CN2CCOc3ccccc32)cc1 ZINC000060857062 728439495 /nfs/dbraw/zinc/43/94/95/728439495.db2.gz AOFYBFJDLGEBCG-UHFFFAOYSA-N 0 0 339.439 2.610 10 10 EFCERN COc1ccnc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)c1 ZINC000170904444 728493448 /nfs/dbraw/zinc/49/34/48/728493448.db2.gz SBLFPVPGKGDMIN-UHFFFAOYSA-N 0 0 339.439 2.607 10 10 EFCERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000172005006 728562111 /nfs/dbraw/zinc/56/21/11/728562111.db2.gz ZCFHHLGKSDURAJ-SFHVURJKSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172447707 728590886 /nfs/dbraw/zinc/59/08/86/728590886.db2.gz FPEOAEPLQWPPME-UONOGXRCSA-N 0 0 345.468 2.930 10 10 EFCERN CC(C)(C)OC(=O)NCC(F)(F)CNCc1cccc(F)c1O ZINC000230955422 728608427 /nfs/dbraw/zinc/60/84/27/728608427.db2.gz VOEDHRPXXLFKFD-UHFFFAOYSA-N 0 0 334.338 2.781 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2nccn2CC(C)C)c1 ZINC000173460015 728625840 /nfs/dbraw/zinc/62/58/40/728625840.db2.gz PEYKBEHGJVTGLB-ZDUSSCGKSA-N 0 0 346.431 2.814 10 10 EFCERN COCc1csc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000174389678 728664834 /nfs/dbraw/zinc/66/48/34/728664834.db2.gz FGNSECIHZRICQA-UHFFFAOYSA-N 0 0 344.440 2.987 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)(C2CCC2)CC1 ZINC000919080935 728968976 /nfs/dbraw/zinc/96/89/76/728968976.db2.gz HCACITUEFLVNHM-UHFFFAOYSA-N 0 0 345.487 2.898 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NC1([C@H]2CCCCO2)CC1 ZINC000919081981 728969319 /nfs/dbraw/zinc/96/93/19/728969319.db2.gz PYQVVGHXRCQWQU-QGZVFWFLSA-N 0 0 331.460 2.962 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1c(O)cccc1F ZINC000919081170 728969405 /nfs/dbraw/zinc/96/94/05/728969405.db2.gz IRGDZRMONJWHJX-UHFFFAOYSA-N 0 0 331.391 2.905 10 10 EFCERN C[C@H](NS(=O)(=O)[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000919117981 728974369 /nfs/dbraw/zinc/97/43/69/728974369.db2.gz HNTWPSGZGASFPA-BBRMVZONSA-N 0 0 331.437 2.930 10 10 EFCERN C[C@H](NS(=O)(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000919117990 728974451 /nfs/dbraw/zinc/97/44/51/728974451.db2.gz HNTWPSGZGASFPA-XJKSGUPXSA-N 0 0 331.437 2.930 10 10 EFCERN Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC000919143670 728979364 /nfs/dbraw/zinc/97/93/64/728979364.db2.gz LMXSCDMMMQKJHB-OAHLLOKOSA-N 0 0 330.363 2.507 10 10 EFCERN CCN1C(=O)/C(=C\c2cn(C)nc2-c2ccncc2)SC1=S ZINC000920062917 729133247 /nfs/dbraw/zinc/13/32/47/729133247.db2.gz GGOAJQJDCLOAHN-XYOKQWHBSA-N 0 0 330.438 2.703 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)N[C@H](c1ncccn1)C1CC1 ZINC000925478232 729150921 /nfs/dbraw/zinc/15/09/21/729150921.db2.gz HYVZAMFYGRNKPB-AWEZNQCLSA-N 0 0 332.791 2.786 10 10 EFCERN Cc1cc(C(=O)COC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000921215006 729274097 /nfs/dbraw/zinc/27/40/97/729274097.db2.gz NWXXHFCXIGJHQB-CQSZACIVSA-N 0 0 345.370 2.996 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@@H](c1ncccn1)C1CC1 ZINC000921447643 729459876 /nfs/dbraw/zinc/45/98/76/729459876.db2.gz OXHSARFVIJYYFI-GFCCVEGCSA-N 0 0 349.485 2.866 10 10 EFCERN O=C(NCCCSc1nccs1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000921447941 729459937 /nfs/dbraw/zinc/45/99/37/729459937.db2.gz XZZDXRUUZFIKLP-XQQFMLRXSA-N 0 0 339.486 2.516 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000170900546 729774489 /nfs/dbraw/zinc/77/44/89/729774489.db2.gz TYMDZQSQUAYKCM-LBPRGKRZSA-N 0 0 339.391 2.950 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1nnc(-c2ccccc2)n1C ZINC000181120209 729782106 /nfs/dbraw/zinc/78/21/06/729782106.db2.gz ACFVFUIAFLCTNL-UHFFFAOYSA-N 0 0 349.438 2.947 10 10 EFCERN Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cnn1C1CCOCC1 ZINC001569590087 1085412639 /nfs/dbraw/zinc/41/26/39/1085412639.db2.gz MTDJZEFIWHMQSL-HWKANZROSA-N 0 0 343.383 2.606 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccnc(OCC(F)(F)F)c1 ZINC001570014651 1085861232 /nfs/dbraw/zinc/86/12/32/1085861232.db2.gz OVHNYIYWTAVRDE-UHFFFAOYSA-N 0 0 342.273 2.615 10 10 EFCERN CCOc1cc(/C=C\C(=O)NCc2ccc(O)cc2O)ccc1O ZINC001570462438 1086257373 /nfs/dbraw/zinc/25/73/73/1086257373.db2.gz SYFBKQOHHVNNKX-YWEYNIOJSA-N 0 0 329.352 2.532 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccccc1OC(F)(F)F ZINC001570462141 1086257560 /nfs/dbraw/zinc/25/75/60/1086257560.db2.gz FRYGNODQCRFZNA-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1 ZINC001570514508 1086300921 /nfs/dbraw/zinc/30/09/21/1086300921.db2.gz DMKQVCDFLLYYPK-UHFFFAOYSA-N 0 0 348.786 2.646 10 10 EFCERN Nc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(Cl)n1 ZINC001570531487 1086318720 /nfs/dbraw/zinc/31/87/20/1086318720.db2.gz HLNCBMMJBLGAQN-UHFFFAOYSA-N 0 0 328.759 2.501 10 10 EFCERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC ZINC001570699233 1086466515 /nfs/dbraw/zinc/46/65/15/1086466515.db2.gz QFFUZQDDXOJXFT-ZWNOBZJWSA-N 0 0 334.376 2.557 10 10 EFCERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC001570701103 1086468216 /nfs/dbraw/zinc/46/82/16/1086468216.db2.gz FPIYYDDWBUATIN-UHFFFAOYSA-N 0 0 345.830 2.695 10 10 EFCERN O=C(COCc1nc2ccccc2s1)NCc1c(O)cccc1O ZINC001647177860 1089041169 /nfs/dbraw/zinc/04/11/69/1089041169.db2.gz IZPZGKFOVMQGQX-UHFFFAOYSA-N 0 0 344.392 2.541 10 10 EFCERN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001647791818 1089879924 /nfs/dbraw/zinc/87/99/24/1089879924.db2.gz VQWIERYLILCILG-RDTXWAMCSA-N 0 0 329.396 2.603 10 10 EFCERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC001647827059 1089888098 /nfs/dbraw/zinc/88/80/98/1089888098.db2.gz VARNCZFJDXXJJJ-INIZCTEOSA-N 0 0 344.798 2.640 10 10 EFCERN C[S@](=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001647830001 1089888702 /nfs/dbraw/zinc/88/87/02/1089888702.db2.gz DCAYWHMJASZQOS-QFIPXVFZSA-N 0 0 337.828 2.642 10 10 EFCERN COC1CCN(c2ccc(CN3CCn4nccc4C3)cc2)CC1 ZINC001647856141 1089898100 /nfs/dbraw/zinc/89/81/00/1089898100.db2.gz BKUOGGVLJCNGDD-UHFFFAOYSA-N 0 0 326.444 2.514 10 10 EFCERN CNC(=O)c1cccc(N(C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC001620598060 1090893950 /nfs/dbraw/zinc/89/39/50/1090893950.db2.gz PCPPNIJGWWLBBE-UHFFFAOYSA-N 0 0 330.359 2.730 10 10 EFCERN CC(C)OCc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001583654882 1092054530 /nfs/dbraw/zinc/05/45/30/1092054530.db2.gz BOJWYUMXUONKOX-UHFFFAOYSA-N 0 0 329.396 2.882 10 10 EFCERN COc1cccnc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001584094303 1092108449 /nfs/dbraw/zinc/10/84/49/1092108449.db2.gz FHKYOVFTGQLOMY-AWEZNQCLSA-N 0 0 327.428 2.826 10 10 EFCERN Cc1cc(NC(=O)c2cccc(O)c2O)n(-c2ccc(F)cc2)n1 ZINC001584574163 1092207511 /nfs/dbraw/zinc/20/75/11/1092207511.db2.gz KTFWRFLLMGIUSN-UHFFFAOYSA-N 0 0 327.315 2.983 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NOCCOc2ccccc2)cc1 ZINC001648687973 1092254313 /nfs/dbraw/zinc/25/43/13/1092254313.db2.gz KTECLSLWTFLXKZ-UHFFFAOYSA-N 0 0 328.328 2.589 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c[nH]ccc2=O)c1 ZINC001584887633 1092317943 /nfs/dbraw/zinc/31/79/43/1092317943.db2.gz RLVSJBZAEHFHNJ-UHFFFAOYSA-N 0 0 335.363 2.847 10 10 EFCERN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001586376188 1092729189 /nfs/dbraw/zinc/72/91/89/1092729189.db2.gz WAZJNXKFDWPTRK-KUHUBIRLSA-N 0 0 341.407 2.937 10 10 EFCERN Cc1sc2ncc(C(=O)N[C@H](C)c3ccccc3O)c(=O)n2c1C ZINC001587447694 1092812779 /nfs/dbraw/zinc/81/27/79/1092812779.db2.gz YFKCYQZLIZEYIW-SECBINFHSA-N 0 0 343.408 2.569 10 10 EFCERN C[C@@H](NC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccccc1O ZINC001587447174 1092812944 /nfs/dbraw/zinc/81/29/44/1092812944.db2.gz KVIYIUQUWZMTEA-SNVBAGLBSA-N 0 0 328.393 2.927 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCCCOc1ccc(F)cc1 ZINC001588003578 1092883236 /nfs/dbraw/zinc/88/32/36/1092883236.db2.gz FYADWTUHDSVFLJ-UHFFFAOYSA-N 0 0 333.359 2.755 10 10 EFCERN Cc1cncn1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001588146430 1092897367 /nfs/dbraw/zinc/89/73/67/1092897367.db2.gz WXOZPHFBMCNEBL-UHFFFAOYSA-N 0 0 325.368 2.719 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnn1 ZINC001588193366 1092900391 /nfs/dbraw/zinc/90/03/91/1092900391.db2.gz SCKKODSHBLYUMO-UHFFFAOYSA-N 0 0 336.189 2.607 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)c1ccc(F)cc1 ZINC001588313555 1092916072 /nfs/dbraw/zinc/91/60/72/1092916072.db2.gz RHUXPYLLGIFLRN-BMIGLBTASA-N 0 0 344.346 2.840 10 10 EFCERN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1[NH3+] ZINC000708089379 1092972631 /nfs/dbraw/zinc/97/26/31/1092972631.db2.gz LUKHDKFVVFUBHQ-PRHODGIISA-N 0 0 333.657 2.977 10 10 EFCERN CN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133205 1093128466 /nfs/dbraw/zinc/12/84/66/1093128466.db2.gz IPGVCZHQOQHYNE-NSHDSACASA-N 0 0 333.657 2.944 10 10 EFCERN Cc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1[N+](=O)[O-] ZINC001650842577 1093499355 /nfs/dbraw/zinc/49/93/55/1093499355.db2.gz WRQQBYSPHIAUPM-VIFPVBQESA-N 0 0 334.303 2.945 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H]1COCO1 ZINC001651133990 1093530878 /nfs/dbraw/zinc/53/08/78/1093530878.db2.gz VAMCFXGWXIEYLD-AWEZNQCLSA-N 0 0 328.324 2.611 10 10 EFCERN COc1ccc2c(c1)c(C(=O)NCc1cc(O)ccc1O)c(C)n2C ZINC001651225450 1093542781 /nfs/dbraw/zinc/54/27/81/1093542781.db2.gz JXCLZQUPWODGFK-UHFFFAOYSA-N 0 0 340.379 2.837 10 10 EFCERN O=C(Cc1cccc(Br)c1)NCc1cccc(O)c1O ZINC001593738872 1094410279 /nfs/dbraw/zinc/41/02/79/1094410279.db2.gz BCGUHJMUNJYUSW-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001593873423 1094412078 /nfs/dbraw/zinc/41/20/78/1094412078.db2.gz OYTNXONXOFMCBW-UHFFFAOYSA-N 0 0 328.280 2.682 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001593881834 1094414291 /nfs/dbraw/zinc/41/42/91/1094414291.db2.gz OLTZOTMCAUSLDY-OAHLLOKOSA-N 0 0 335.306 2.814 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC001595800513 1094495419 /nfs/dbraw/zinc/49/54/19/1094495419.db2.gz XQAFJUKTGZGWMG-LSDHHAIUSA-N 0 0 342.351 2.729 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2O)C1(C)C ZINC001595800367 1094495658 /nfs/dbraw/zinc/49/56/58/1094495658.db2.gz VYANBBCRKMKQIU-UKRRQHHQSA-N 0 0 348.443 2.948 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001595858469 1094499373 /nfs/dbraw/zinc/49/93/73/1094499373.db2.gz CJZTVLLHQBFDOB-UHFFFAOYSA-N 0 0 325.328 2.978 10 10 EFCERN Cc1cnccc1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001596432674 1094530796 /nfs/dbraw/zinc/53/07/96/1094530796.db2.gz DOKSCFUYRXCWRU-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1ncon1 ZINC001596423379 1094530859 /nfs/dbraw/zinc/53/08/59/1094530859.db2.gz OAPSPSLJFAZDHP-GFCCVEGCSA-N 0 0 338.367 2.781 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NOCc1ccc(C(F)(F)F)cc1 ZINC001597108811 1094565737 /nfs/dbraw/zinc/56/57/37/1094565737.db2.gz DPRNWJUEYJJGPB-UHFFFAOYSA-N 0 0 341.285 2.907 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C(/C)C1CC1 ZINC001597567785 1094600284 /nfs/dbraw/zinc/60/02/84/1094600284.db2.gz WLCNZTFSMJPUAQ-XFFZJAGNSA-N 0 0 337.803 2.904 10 10 EFCERN O=C(CCCOCCc1ccccc1)NCc1c(O)cccc1O ZINC001597568619 1094600937 /nfs/dbraw/zinc/60/09/37/1094600937.db2.gz HQTDTLGYXDOSOG-UHFFFAOYSA-N 0 0 329.396 2.754 10 10 EFCERN CCCOc1ncccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001597633495 1094606448 /nfs/dbraw/zinc/60/64/48/1094606448.db2.gz PZYXBFAZCLCZBM-UHFFFAOYSA-N 0 0 341.371 2.963 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2[nH]c(CO)nc2c1 ZINC001597743184 1094618603 /nfs/dbraw/zinc/61/86/03/1094618603.db2.gz XZHNUIASUOJEMI-UHFFFAOYSA-N 0 0 347.374 2.844 10 10 EFCERN CCc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1CC ZINC001597855657 1094631892 /nfs/dbraw/zinc/63/18/92/1094631892.db2.gz QGWBUCLOMOGYPG-UHFFFAOYSA-N 0 0 326.444 2.778 10 10 EFCERN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cccc(O)c1O ZINC001597866890 1094633561 /nfs/dbraw/zinc/63/35/61/1094633561.db2.gz ZPAVUTXFXNQWOZ-ZDUSSCGKSA-N 0 0 327.258 2.946 10 10 EFCERN CN(C)C(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001606860178 1097463483 /nfs/dbraw/zinc/46/34/83/1097463483.db2.gz GQVRMRRIUYDSSM-UHFFFAOYSA-N 0 0 332.787 2.677 10 10 EFCERN CCOC(=O)CN(C(=O)/C=C/c1cccnc1C)c1ccc(F)cn1 ZINC001126395190 1097507092 /nfs/dbraw/zinc/50/70/92/1097507092.db2.gz GEEWSHPTJNFFHA-RMKNXTFCSA-N 0 0 343.358 2.534 10 10 EFCERN COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001607770940 1097726911 /nfs/dbraw/zinc/72/69/11/1097726911.db2.gz KXNUEHWDNNXPTK-YFTXEMMHSA-N 0 0 326.396 2.942 10 10 EFCERN COC(=O)/C=C/[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001607770941 1097726968 /nfs/dbraw/zinc/72/69/68/1097726968.db2.gz KXNUEHWDNNXPTK-YQJFHSMKSA-N 0 0 326.396 2.942 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC001611430487 1099010177 /nfs/dbraw/zinc/01/01/77/1099010177.db2.gz DHCCUHRVLKFKFG-XHDPSFHLSA-N 0 0 349.814 2.575 10 10 EFCERN CCc1c(C)nc2ncnn2c1NCc1ccc2c(c1)CCCN2C ZINC001611872606 1099037140 /nfs/dbraw/zinc/03/71/40/1099037140.db2.gz MTFHULATPSUTQJ-UHFFFAOYSA-N 0 0 336.443 2.990 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCO[C@@H](C)C1 ZINC001612538283 1099063909 /nfs/dbraw/zinc/06/39/09/1099063909.db2.gz UHEOFYFWOJYYMR-ZFWWWQNUSA-N 0 0 330.432 2.744 10 10 EFCERN C[C@H]1C[C@H]1n1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001612708815 1099075050 /nfs/dbraw/zinc/07/50/50/1099075050.db2.gz XTNKUJMPDVKOHA-SWLSCSKDSA-N 0 0 338.415 2.602 10 10 EFCERN CC[C@H](C)[C@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001613103192 1099091176 /nfs/dbraw/zinc/09/11/76/1099091176.db2.gz VPVPKNJZUFWRNQ-SCLBCKFNSA-N 0 0 332.448 2.726 10 10 EFCERN Cc1cc(C(=O)Cn2cncc(F)c2=O)c(C)n1-c1ccccc1 ZINC001613788820 1099107210 /nfs/dbraw/zinc/10/72/10/1099107210.db2.gz ARDBPKMMQGEOMU-UHFFFAOYSA-N 0 0 325.343 2.673 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(F)cc2Cl)c1 ZINC001616985589 1099205127 /nfs/dbraw/zinc/20/51/27/1099205127.db2.gz VAEWELIRQXDEHW-ZZXKWVIFSA-N 0 0 347.777 2.910 10 10 EFCERN COc1cc(F)c([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001617108784 1099214253 /nfs/dbraw/zinc/21/42/53/1099214253.db2.gz YVDQCJQGDKGFNJ-JTQLQIEISA-N 0 0 349.358 2.674 10 10 EFCERN COC(=O)c1cccc2c1CCN2C(=O)/C=C\c1cncc(F)c1 ZINC001617630279 1099250047 /nfs/dbraw/zinc/25/00/47/1099250047.db2.gz JDYQDBNEOAKZCW-WAYWQWQTSA-N 0 0 326.327 2.610 10 10 EFCERN O=C(NCCCNc1ccccn1)c1cc2cc(O)c(O)cc2s1 ZINC001618539369 1099303716 /nfs/dbraw/zinc/30/37/16/1099303716.db2.gz MKWJUXXVHMXCAU-UHFFFAOYSA-N 0 0 343.408 2.940 10 10 EFCERN Cc1cc(F)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1N ZINC001618602187 1099307158 /nfs/dbraw/zinc/30/71/58/1099307158.db2.gz QUTGKUBXUXOJQA-UHFFFAOYSA-N 0 0 329.375 2.822 10 10 EFCERN CCOC(=O)CN(CCOCC1CCCC1)Cc1ccccc1O ZINC001618720682 1099315319 /nfs/dbraw/zinc/31/53/19/1099315319.db2.gz HRRWUULVVGSGKQ-UHFFFAOYSA-N 0 0 335.444 2.964 10 10 EFCERN CN1CCOc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc21 ZINC001621691590 1099440817 /nfs/dbraw/zinc/44/08/17/1099440817.db2.gz GZEUCNLZPJRQPH-UHFFFAOYSA-N 0 0 339.355 2.930 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(C=O)c2O)c1 ZINC001622778995 1099543264 /nfs/dbraw/zinc/54/32/64/1099543264.db2.gz FARWHDUHGDHNCT-NSHDSACASA-N 0 0 329.352 2.718 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cnc2[nH]ccc2c1 ZINC001623364589 1099580692 /nfs/dbraw/zinc/58/06/92/1099580692.db2.gz RWAQCVBEHDDJGX-UHFFFAOYSA-N 0 0 346.184 2.913 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](O)C(C)(C)CC)CC2)cc1 ZINC001623430336 1099587247 /nfs/dbraw/zinc/58/72/47/1099587247.db2.gz YOCOHRAPLDEIAK-QGZVFWFLSA-N 0 0 334.460 2.531 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccncc2)cc1 ZINC001623509042 1099595672 /nfs/dbraw/zinc/59/56/72/1099595672.db2.gz DXZYUDPKUJUQNK-UHFFFAOYSA-N 0 0 333.391 2.905 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccc(=O)[nH]c1 ZINC001623550129 1099600290 /nfs/dbraw/zinc/60/02/90/1099600290.db2.gz RGMYOSFGMOFZGB-UHFFFAOYSA-N 0 0 339.439 2.979 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(F)(F)C1(O)CCC1 ZINC001623549732 1099600784 /nfs/dbraw/zinc/60/07/84/1099600784.db2.gz JSIHVNYSNYICKJ-UHFFFAOYSA-N 0 0 338.398 2.796 10 10 EFCERN Cc1cc(CCNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c(C)n1-c1ccccc1 ZINC001623739783 1099619043 /nfs/dbraw/zinc/61/90/43/1099619043.db2.gz XTHPPJDKDKMVAF-YSIASYRMSA-N 0 0 336.435 2.978 10 10 EFCERN COc1ccc(Cl)cc1CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001623944406 1099642714 /nfs/dbraw/zinc/64/27/14/1099642714.db2.gz OAIKDYAVKFWFLO-UHFFFAOYSA-N 0 0 335.787 2.961 10 10 EFCERN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Cc1ccc(O)c(O)c1 ZINC001624286932 1099678638 /nfs/dbraw/zinc/67/86/38/1099678638.db2.gz RIDAFACJISYDAD-LBPRGKRZSA-N 0 0 343.379 2.507 10 10 EFCERN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(N)c1F ZINC001624322488 1099682980 /nfs/dbraw/zinc/68/29/80/1099682980.db2.gz WKOIEEYWIBIVDA-UHFFFAOYSA-N 0 0 343.402 2.947 10 10 EFCERN CCN1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1=O ZINC001624869789 1099740463 /nfs/dbraw/zinc/74/04/63/1099740463.db2.gz YWGZENBRVYVCDM-UHFFFAOYSA-N 0 0 339.439 2.707 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001624955151 1099753941 /nfs/dbraw/zinc/75/39/41/1099753941.db2.gz SPKNNXBBCNTXMU-LLVKDONJSA-N 0 0 338.363 2.713 10 10 EFCERN COc1cccc(C[C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001625208975 1099782078 /nfs/dbraw/zinc/78/20/78/1099782078.db2.gz MDODOLUFDFWVNY-MRXNPFEDSA-N 0 0 341.407 2.883 10 10 EFCERN COCCN(CCCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001626300796 1099860368 /nfs/dbraw/zinc/86/03/68/1099860368.db2.gz AVHGSRPNLVOYFV-UHFFFAOYSA-N 0 0 343.423 2.748 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(-c2nc[nH]n2)ccc1F ZINC001626414719 1099872603 /nfs/dbraw/zinc/87/26/03/1099872603.db2.gz XPXZDLXYQPFSDE-KXFIGUGUSA-N 0 0 340.314 2.674 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC001626458587 1099878481 /nfs/dbraw/zinc/87/84/81/1099878481.db2.gz JYEZRPPDMONTGD-OAHLLOKOSA-N 0 0 338.367 2.842 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2cccc3c2OCO3)cc1 ZINC001626503480 1099883202 /nfs/dbraw/zinc/88/32/02/1099883202.db2.gz VUAZYGRDJFVUGH-UHFFFAOYSA-N 0 0 326.312 2.508 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2nonc2c1 ZINC001626723230 1099909698 /nfs/dbraw/zinc/90/96/98/1099909698.db2.gz WVUKEJBUJAPNHE-ZDUSSCGKSA-N 0 0 338.411 2.958 10 10 EFCERN Cc1ccc2nc(C(=O)NCc3ccc4c(c3)CCCN4C)cn2c1 ZINC001626940937 1099938420 /nfs/dbraw/zinc/93/84/20/1099938420.db2.gz RKMMXVJFECCQAN-UHFFFAOYSA-N 0 0 334.423 2.955 10 10 EFCERN C[C@@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N2CCOCC2)cc1 ZINC001626978590 1099943662 /nfs/dbraw/zinc/94/36/62/1099943662.db2.gz VTHZGRBHBRDRON-CYBMUJFWSA-N 0 0 344.386 2.859 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1 ZINC001626984364 1099944036 /nfs/dbraw/zinc/94/40/36/1099944036.db2.gz HAMUWDAYVXZCTG-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(F)c1F ZINC001627013383 1099946699 /nfs/dbraw/zinc/94/66/99/1099946699.db2.gz BKOWCWYCANZGDH-UHFFFAOYSA-N 0 0 349.333 2.876 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)n1ccnc1CC ZINC001627028364 1099948312 /nfs/dbraw/zinc/94/83/12/1099948312.db2.gz GJSQXUQAANYPID-ZDUSSCGKSA-N 0 0 336.432 2.904 10 10 EFCERN O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc2cccnc2c1O ZINC001627070261 1099954013 /nfs/dbraw/zinc/95/40/13/1099954013.db2.gz YNMWAQJWFJZVBN-MRXNPFEDSA-N 0 0 348.358 2.858 10 10 EFCERN O=C(Cc1cc(F)ccc1O)NCCCSc1nccs1 ZINC001627198601 1099967991 /nfs/dbraw/zinc/96/79/91/1099967991.db2.gz DABNCZNHQYSGGM-UHFFFAOYSA-N 0 0 326.418 2.829 10 10 EFCERN Nc1c(F)cc(F)cc1C(=O)NCCCSc1nccs1 ZINC001627199080 1099968642 /nfs/dbraw/zinc/96/86/42/1099968642.db2.gz SXABCQYGPABDDP-UHFFFAOYSA-N 0 0 329.397 2.916 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)c(O)c1O ZINC001627798352 1100034358 /nfs/dbraw/zinc/03/43/58/1100034358.db2.gz FXUIOCTXAKQTTH-UHFFFAOYSA-N 0 0 329.356 2.752 10 10 EFCERN CC(C)c1ccccc1OCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001628152606 1100068242 /nfs/dbraw/zinc/06/82/42/1100068242.db2.gz HYDWEDLSUICFTR-UHFFFAOYSA-N 0 0 329.396 2.959 10 10 EFCERN COc1c(F)cc(C(=O)NCc2cc(Cl)ccc2O)c(N)c1F ZINC001628681518 1100124083 /nfs/dbraw/zinc/12/40/83/1100124083.db2.gz VVWTYZILMSVZCK-UHFFFAOYSA-N 0 0 342.729 2.845 10 10 EFCERN COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001628954492 1100153529 /nfs/dbraw/zinc/15/35/29/1100153529.db2.gz JHZWXSQHZVWFGV-UHFFFAOYSA-N 0 0 341.411 2.674 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(C2CCC2)nn1 ZINC000843776592 1100154216 /nfs/dbraw/zinc/15/42/16/1100154216.db2.gz QTVQCUCLMBWPPU-UHFFFAOYSA-N 0 0 339.443 2.923 10 10 EFCERN CC[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(=O)OC ZINC001629108281 1100170173 /nfs/dbraw/zinc/17/01/73/1100170173.db2.gz XBFZQCGIFNATRS-GFCCVEGCSA-N 0 0 338.367 2.534 10 10 EFCERN CCOC(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001629281493 1100190077 /nfs/dbraw/zinc/19/00/77/1100190077.db2.gz HQALCADDSALZNY-UHFFFAOYSA-N 0 0 344.327 2.549 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843778652 1100254221 /nfs/dbraw/zinc/25/42/21/1100254221.db2.gz HUCYYNUGMVTAPL-ZDUSSCGKSA-N 0 0 332.423 2.918 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[C@]2(C)OC)CCCC1 ZINC001630088495 1100274761 /nfs/dbraw/zinc/27/47/61/1100274761.db2.gz UJOBXPKKRQHGEZ-QUCCMNQESA-N 0 0 342.439 2.822 10 10 EFCERN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cccc(O)c1O ZINC001630294893 1100290829 /nfs/dbraw/zinc/29/08/29/1100290829.db2.gz KPIOMVDVWAKZOR-UHFFFAOYSA-N 0 0 341.367 2.978 10 10 EFCERN COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)c(OC)c(OC)c1 ZINC001630324128 1100295405 /nfs/dbraw/zinc/29/54/05/1100295405.db2.gz RLDZQGGTRQEUFN-UHFFFAOYSA-N 0 0 337.353 2.510 10 10 EFCERN Cc1ccc(F)c(N)c1C(=O)NCc1ccc2cccnc2c1O ZINC001630533253 1100314990 /nfs/dbraw/zinc/31/49/90/1100314990.db2.gz ZXIRYFZKCYABRQ-UHFFFAOYSA-N 0 0 325.343 2.900 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc2nccnc21 ZINC001630532134 1100315284 /nfs/dbraw/zinc/31/52/84/1100315284.db2.gz IDWOUDCLLVEDOR-UHFFFAOYSA-N 0 0 348.337 2.953 10 10 EFCERN COc1ccc(C[C@H]2CCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001630861495 1100346695 /nfs/dbraw/zinc/34/66/95/1100346695.db2.gz KBJLFITUUOOTQE-MEMKZHQFSA-N 0 0 339.391 2.963 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001631438629 1100399083 /nfs/dbraw/zinc/39/90/83/1100399083.db2.gz HWSHZFPCTUJYRJ-INIZCTEOSA-N 0 0 347.317 2.824 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2sccc2-n2ccnn2)c1 ZINC001631543517 1100408433 /nfs/dbraw/zinc/40/84/33/1100408433.db2.gz ULULBTLKDAYYTI-JTQLQIEISA-N 0 0 344.396 2.534 10 10 EFCERN O=C(CCC(=O)Nc1c(F)cccc1F)NCc1ccccc1O ZINC001631540216 1100408591 /nfs/dbraw/zinc/40/85/91/1100408591.db2.gz OPSCHTXUHWYRLE-UHFFFAOYSA-N 0 0 334.322 2.706 10 10 EFCERN COC(=O)/C=C/c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC001631542977 1100408838 /nfs/dbraw/zinc/40/88/38/1100408838.db2.gz OMYRBEVRQAXPEV-LAHYYIKRSA-N 0 0 345.351 2.671 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2cc(F)c(F)cc21 ZINC001631874341 1100435966 /nfs/dbraw/zinc/43/59/66/1100435966.db2.gz UNOVPOFITXAQIC-DUXPYHPUSA-N 0 0 333.290 2.815 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](OC)C3CCCC3)CC2)cc1 ZINC001632158079 1100456753 /nfs/dbraw/zinc/45/67/53/1100456753.db2.gz PNNPLIYUYRXFIP-LJQANCHMSA-N 0 0 346.471 2.939 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001632222969 1100460426 /nfs/dbraw/zinc/46/04/26/1100460426.db2.gz AMKSTCFRILDZOF-CYBMUJFWSA-N 0 0 344.798 2.715 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001632222970 1100460507 /nfs/dbraw/zinc/46/05/07/1100460507.db2.gz AMKSTCFRILDZOF-ZDUSSCGKSA-N 0 0 344.798 2.715 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cc(-n2cccn2)ccn1 ZINC001632223720 1100460546 /nfs/dbraw/zinc/46/05/46/1100460546.db2.gz NVHZMBKXBZYLCL-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1O ZINC001632250508 1100462660 /nfs/dbraw/zinc/46/26/60/1100462660.db2.gz VJLIHWOVIFBDRK-ZDUSSCGKSA-N 0 0 337.379 2.752 10 10 EFCERN COc1cc(OCC(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001632250550 1100462797 /nfs/dbraw/zinc/46/27/97/1100462797.db2.gz WDLPHLMFFYJXQL-NSHDSACASA-N 0 0 346.339 2.565 10 10 EFCERN C[C@@H](NC(=O)Cc1cccnc1Br)c1ccccc1O ZINC001632246374 1100462937 /nfs/dbraw/zinc/46/29/37/1100462937.db2.gz FTQONEVXNFQSCU-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001632390982 1100470191 /nfs/dbraw/zinc/47/01/91/1100470191.db2.gz DVWOXZPKVFZMTQ-AWEZNQCLSA-N 0 0 347.333 2.647 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cc(Cl)cc2c1OCC2 ZINC001632568327 1100484885 /nfs/dbraw/zinc/48/48/85/1100484885.db2.gz KHBGMIKHYRCGIK-UHFFFAOYSA-N 0 0 333.771 2.545 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2cccc(Cl)c12 ZINC001632680663 1100492951 /nfs/dbraw/zinc/49/29/51/1100492951.db2.gz BKNKWHDXOAZBGU-SNVBAGLBSA-N 0 0 345.786 2.760 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)NCCCSc2nccs2)n1 ZINC001632807076 1100501963 /nfs/dbraw/zinc/50/19/63/1100501963.db2.gz MISXAHZZHSOQIJ-UHFFFAOYSA-N 0 0 346.428 2.884 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](Cc1cccnc1)C1CCCC1 ZINC001632858195 1100504536 /nfs/dbraw/zinc/50/45/36/1100504536.db2.gz PCMADNMGDBPOAN-QGZVFWFLSA-N 0 0 340.423 2.953 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cc1cccnc1)C1CCCC1 ZINC001632858193 1100504941 /nfs/dbraw/zinc/50/49/41/1100504941.db2.gz PCMADNMGDBPOAN-KRWDZBQOSA-N 0 0 340.423 2.953 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ncoc1-c1ccc(F)cc1 ZINC001633515837 1100546375 /nfs/dbraw/zinc/54/63/75/1100546375.db2.gz SBWSJARINGLFFR-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(O)c1O ZINC001633515946 1100547427 /nfs/dbraw/zinc/54/74/27/1100547427.db2.gz XQGAZUVORQOUCE-CYBMUJFWSA-N 0 0 344.367 2.891 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)CCCCC2=O ZINC001633598852 1100552838 /nfs/dbraw/zinc/55/28/38/1100552838.db2.gz DPTRHUPSZMJILV-UHFFFAOYSA-N 0 0 325.364 2.937 10 10 EFCERN CN(C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC001633598935 1100552927 /nfs/dbraw/zinc/55/29/27/1100552927.db2.gz IJULQRDRGVZBGO-MRXNPFEDSA-N 0 0 334.803 2.670 10 10 EFCERN COc1cccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)c1 ZINC001633760795 1100564181 /nfs/dbraw/zinc/56/41/81/1100564181.db2.gz DMHKXPVMJLXIFN-UHFFFAOYSA-N 0 0 327.380 2.845 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(F)(F)C2)cc1 ZINC001633800602 1100566685 /nfs/dbraw/zinc/56/66/85/1100566685.db2.gz IYORNAIRBGDUJO-UHFFFAOYSA-N 0 0 332.350 2.927 10 10 EFCERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001633818785 1100567120 /nfs/dbraw/zinc/56/71/20/1100567120.db2.gz LMZDBIXKGNZVNJ-SECBINFHSA-N 0 0 348.330 2.815 10 10 EFCERN Cc1nc2c(cccc2CCNC(=O)c2ccc(C)c(O)c2O)o1 ZINC001634091920 1100584823 /nfs/dbraw/zinc/58/48/23/1100584823.db2.gz JJTLMJOJGHHZPE-UHFFFAOYSA-N 0 0 326.352 2.828 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2n[nH]nc2C)cc1 ZINC001634152159 1100588312 /nfs/dbraw/zinc/58/83/12/1100588312.db2.gz CZALHBWTWZBHKZ-UHFFFAOYSA-N 0 0 337.383 2.514 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCCc2ccc(O)cc2)cc1 ZINC001634317575 1100599501 /nfs/dbraw/zinc/59/95/01/1100599501.db2.gz AXQZYMYEJANWGW-UHFFFAOYSA-N 0 0 326.356 2.917 10 10 EFCERN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 ZINC001634362716 1100602493 /nfs/dbraw/zinc/60/24/93/1100602493.db2.gz CJYNFQCEADOXBN-MOPGFXCFSA-N 0 0 329.396 2.515 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001634422088 1100607202 /nfs/dbraw/zinc/60/72/02/1100607202.db2.gz UGNBBXDXOGPWLS-CHWSQXEVSA-N 0 0 332.425 2.695 10 10 EFCERN O=C(C[C@@H]1CCCC[C@H]1O)NCc1cccc(Br)c1O ZINC001634725425 1100626535 /nfs/dbraw/zinc/62/65/35/1100626535.db2.gz XLOOHGKCPKYASA-GXFFZTMASA-N 0 0 342.233 2.712 10 10 EFCERN Cc1ccc(C(=O)N2CC(Cc3c(F)cccc3F)C2)c(O)c1O ZINC001634766966 1100629668 /nfs/dbraw/zinc/62/96/68/1100629668.db2.gz LHJZKPLXXIUFJF-UHFFFAOYSA-N 0 0 333.334 2.999 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccc(Nc2ncccn2)c1 ZINC001635360160 1100656504 /nfs/dbraw/zinc/65/65/04/1100656504.db2.gz BNGKMKKMCUWCDT-UHFFFAOYSA-N 0 0 338.342 2.995 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnc2c(Cl)cccc2c1O ZINC001635366562 1100657391 /nfs/dbraw/zinc/65/73/91/1100657391.db2.gz BDTHOVBHBSCBNK-UHFFFAOYSA-N 0 0 346.745 2.956 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1 ZINC001635621709 1100670686 /nfs/dbraw/zinc/67/06/86/1100670686.db2.gz XZGLYCWNEAAEKM-NSHDSACASA-N 0 0 342.359 2.718 10 10 EFCERN C[C@H](NC(=O)c1cc(-n2ccnn2)ccc1F)c1ccccc1O ZINC001635803388 1100681573 /nfs/dbraw/zinc/68/15/73/1100681573.db2.gz DATHHNLJFVJGIP-NSHDSACASA-N 0 0 326.331 2.603 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1ccc2nonc2c1 ZINC001635840805 1100682803 /nfs/dbraw/zinc/68/28/03/1100682803.db2.gz XJCBVXWBEWKUHE-UHFFFAOYSA-N 0 0 348.156 2.621 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1[C@@H]1CCCOC1 ZINC001635847487 1100684032 /nfs/dbraw/zinc/68/40/32/1100684032.db2.gz ONTPQRQLHITJLH-CQSZACIVSA-N 0 0 344.411 2.798 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2sccc2c(O)c1 ZINC001636022599 1100694474 /nfs/dbraw/zinc/69/44/74/1100694474.db2.gz MVUNEQFHDYKFSK-UHFFFAOYSA-N 0 0 329.377 2.991 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C(F)(F)C2(O)CCCCC2)c1 ZINC001636061075 1100697098 /nfs/dbraw/zinc/69/70/98/1100697098.db2.gz DINIVGYLWIYUOP-LLVKDONJSA-N 0 0 343.370 2.909 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(-c3cccnc3)n2)c1 ZINC001636061282 1100697259 /nfs/dbraw/zinc/69/72/59/1100697259.db2.gz LXXIHRHSVYLSPC-LLVKDONJSA-N 0 0 339.351 2.942 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2-c2ccco2)c1 ZINC001636061230 1100697495 /nfs/dbraw/zinc/69/74/95/1100697495.db2.gz KCINVKDFVHKDBK-SNVBAGLBSA-N 0 0 327.340 2.875 10 10 EFCERN O=C(CCc1nc(-c2ccccc2)no1)N1Cc2cccc(O)c2C1 ZINC001636230774 1100708207 /nfs/dbraw/zinc/70/82/07/1100708207.db2.gz IPWYQSFRTJJFML-UHFFFAOYSA-N 0 0 335.363 2.917 10 10 EFCERN C[C@@H](Sc1ccccc1C(=O)N1Cc2cccc(O)c2C1)C(N)=O ZINC001636231300 1100708292 /nfs/dbraw/zinc/70/82/92/1100708292.db2.gz ZSOCQPQHLTUWOU-LLVKDONJSA-N 0 0 342.420 2.514 10 10 EFCERN CCO[C@@H]1COC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001636661378 1100732009 /nfs/dbraw/zinc/73/20/09/1100732009.db2.gz WHCFYOIJYXPGRE-RTBURBONSA-N 0 0 342.439 2.936 10 10 EFCERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cc(O)ccc2O)CC=CCC1 ZINC001637125739 1100758602 /nfs/dbraw/zinc/75/86/02/1100758602.db2.gz DUVJTOGAVPKJSB-IBGZPJMESA-N 0 0 347.411 2.782 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001637227103 1100766445 /nfs/dbraw/zinc/76/64/45/1100766445.db2.gz NIWVCWXGSZQUHS-UHFFFAOYSA-N 0 0 342.786 2.685 10 10 EFCERN O=C(CN1Cc2ccccc2OC1=O)NCc1cccc(Cl)c1O ZINC001637231954 1100766687 /nfs/dbraw/zinc/76/66/87/1100766687.db2.gz DUTBKHNRHUDPTB-UHFFFAOYSA-N 0 0 346.770 2.676 10 10 EFCERN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 ZINC001637594868 1100793047 /nfs/dbraw/zinc/79/30/47/1100793047.db2.gz DUMKPRRDFFOJQX-QCIHBZPFSA-N 0 0 327.380 2.739 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001638323145 1100849066 /nfs/dbraw/zinc/84/90/66/1100849066.db2.gz RVEBDZNBFNYDFF-CVEARBPZSA-N 0 0 347.459 2.626 10 10 EFCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(O)cc1O ZINC001638352227 1100851611 /nfs/dbraw/zinc/85/16/11/1100851611.db2.gz MUNNXYKBMWAKGO-LBPRGKRZSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1csc(-c2ccccn2)n1 ZINC001638352596 1100851668 /nfs/dbraw/zinc/85/16/68/1100851668.db2.gz SFGPFKIDZHUTNI-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cn1 ZINC001638529250 1100865617 /nfs/dbraw/zinc/86/56/17/1100865617.db2.gz JOECLBZGXOYOKF-UHFFFAOYSA-N 0 0 348.786 2.646 10 10 EFCERN CCc1noc([C@H]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)n1 ZINC001638743976 1100883119 /nfs/dbraw/zinc/88/31/19/1100883119.db2.gz WDRAOONYOBYARX-WDEREUQCSA-N 0 0 348.378 2.612 10 10 EFCERN C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638829661 1100889641 /nfs/dbraw/zinc/88/96/41/1100889641.db2.gz VPSYZHBEJGAJMO-GFCCVEGCSA-N 0 0 346.258 2.983 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC001638858241 1100891884 /nfs/dbraw/zinc/89/18/84/1100891884.db2.gz NHRIAEWLWUQJNF-UHFFFAOYSA-N 0 0 328.343 2.588 10 10 EFCERN C[S@](=N)(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001638931273 1100899778 /nfs/dbraw/zinc/89/97/78/1100899778.db2.gz BKCOCJPNDZKPFV-NKXUJONQSA-N 0 0 332.381 2.785 10 10 EFCERN O=C(NCc1ccc(OC(F)F)cc1F)c1c(F)ccc(O)c1O ZINC001638995536 1100903843 /nfs/dbraw/zinc/90/38/43/1100903843.db2.gz FZPGAPVNVHXNBR-UHFFFAOYSA-N 0 0 345.248 2.907 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CSc2ccccc2O1 ZINC001638999209 1100904025 /nfs/dbraw/zinc/90/40/25/1100904025.db2.gz WDYNBGPROVPFHS-STMXVASLSA-N 0 0 343.404 2.781 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc([C@H]2CCCOC2)cc1 ZINC001639293012 1100934795 /nfs/dbraw/zinc/93/47/95/1100934795.db2.gz ZRZWQXAWMYGRHD-HNNXBMFYSA-N 0 0 327.380 2.922 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001639292516 1100935019 /nfs/dbraw/zinc/93/50/19/1100935019.db2.gz GJCDDMYOTORLEH-VHSXEESVSA-N 0 0 337.297 2.935 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC(c2ccccn2)=NO1 ZINC001639388024 1100943480 /nfs/dbraw/zinc/94/34/80/1100943480.db2.gz VNQDHHZJXGEEJN-LJQANCHMSA-N 0 0 347.374 2.750 10 10 EFCERN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccc(F)cc1 ZINC001639441528 1100949611 /nfs/dbraw/zinc/94/96/11/1100949611.db2.gz XBPDVYGQHBVVST-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN Cc1cc(Br)cc(CNc2n[nH]c3c2COCC3)c1O ZINC000895741726 1100963410 /nfs/dbraw/zinc/96/34/10/1100963410.db2.gz NTYKNQGLHJCFBF-UHFFFAOYSA-N 0 0 338.205 2.871 10 10 EFCERN COc1ccccc1C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001639756273 1100981345 /nfs/dbraw/zinc/98/13/45/1100981345.db2.gz MQDWEQUIESACRY-CLFYSBASSA-N 0 0 325.364 2.925 10 10 EFCERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001639849832 1100988591 /nfs/dbraw/zinc/98/85/91/1100988591.db2.gz KCZRLQVLATXJGF-SIXLDLHFSA-N 0 0 347.455 2.819 10 10 EFCERN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001639965857 1100999572 /nfs/dbraw/zinc/99/95/72/1100999572.db2.gz RSHDTYOHYRAAFF-CXUHLZMHSA-N 0 0 344.798 2.839 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@](C)(O)CCc1ccccc1 ZINC001640260087 1101030086 /nfs/dbraw/zinc/03/00/86/1101030086.db2.gz QFGZOIMMJCUBKK-HXUWFJFHSA-N 0 0 348.439 2.878 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OC(C)C)n1 ZINC001640259918 1101030552 /nfs/dbraw/zinc/03/05/52/1101030552.db2.gz JMVJCCFTZLLLKB-UHFFFAOYSA-N 0 0 335.400 2.990 10 10 EFCERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cccc(Cl)c1O ZINC001640404578 1101043039 /nfs/dbraw/zinc/04/30/39/1101043039.db2.gz CWVFSVSZFZBTMX-UHFFFAOYSA-N 0 0 346.774 2.673 10 10 EFCERN COC(=O)c1coc(/C=C/C(=O)NCc2cccc(Cl)c2O)c1 ZINC001640405358 1101043185 /nfs/dbraw/zinc/04/31/85/1101043185.db2.gz RZSGGQCIHSJJIP-AATRIKPKSA-N 0 0 335.743 2.755 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001640510129 1101054890 /nfs/dbraw/zinc/05/48/90/1101054890.db2.gz RJNYUBBIECKROM-UHFFFAOYSA-N 0 0 326.396 2.648 10 10 EFCERN COCC[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000840396566 1101056939 /nfs/dbraw/zinc/05/69/39/1101056939.db2.gz RJXSUZSEYJESGB-JTQLQIEISA-N 0 0 345.237 2.627 10 10 EFCERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c2cnn(C)c2n1 ZINC001640920245 1101088036 /nfs/dbraw/zinc/08/80/36/1101088036.db2.gz MTDZQTGQAYERLV-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN COC(=O)c1cnc(SCc2cnnn2-c2ccccc2)s1 ZINC001641151804 1101107293 /nfs/dbraw/zinc/10/72/93/1101107293.db2.gz FPSYIXQGWSOUFC-UHFFFAOYSA-N 0 0 332.410 2.803 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCOc3ccc(O)cc3C2)cc1 ZINC001641166948 1101110427 /nfs/dbraw/zinc/11/04/27/1101110427.db2.gz TYBHBHACTPPDHR-UHFFFAOYSA-N 0 0 340.339 2.589 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(C)c3N)C2)cc1 ZINC001641228256 1101115859 /nfs/dbraw/zinc/11/58/59/1101115859.db2.gz QEYWKXQLMKKQBG-CYBMUJFWSA-N 0 0 343.402 2.734 10 10 EFCERN CCON(CC)C(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001641521990 1101143215 /nfs/dbraw/zinc/14/32/15/1101143215.db2.gz WZXTWDQEADXPDO-UHFFFAOYSA-N 0 0 343.427 2.624 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC001641733484 1101161124 /nfs/dbraw/zinc/16/11/24/1101161124.db2.gz YGJFFASZENFKDZ-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN Cn1c2ccccc2sc1=NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001642080198 1101188393 /nfs/dbraw/zinc/18/83/93/1101188393.db2.gz SNMSYLYPNKCFOH-IGONEKCLSA-N 0 0 326.377 2.792 10 10 EFCERN Cc1cc(CCNC(=O)c2ns[nH]c2=O)c(C)n1-c1ccccc1 ZINC001642091081 1101189505 /nfs/dbraw/zinc/18/95/05/1101189505.db2.gz MLWIKMWQLGLIAH-UHFFFAOYSA-N 0 0 342.424 2.624 10 10 EFCERN COCc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC001642548083 1101221336 /nfs/dbraw/zinc/22/13/36/1101221336.db2.gz IHAGLIFQTIZJLZ-CQSZACIVSA-N 0 0 347.484 2.977 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)c(O)c1O ZINC001642885192 1101253008 /nfs/dbraw/zinc/25/30/08/1101253008.db2.gz BUICHDMXSJLPOT-CQSZACIVSA-N 0 0 326.352 2.610 10 10 EFCERN COC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001643282819 1101287509 /nfs/dbraw/zinc/28/75/09/1101287509.db2.gz ALZBIUNDYSDZJA-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(O)c3F)C2)cc1 ZINC001643347441 1101291519 /nfs/dbraw/zinc/29/15/19/1101291519.db2.gz ZPZGWPXFTNKHNX-CYBMUJFWSA-N 0 0 344.386 2.796 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2Cc3c[nH]nc3C[C@H](C)C2)cc1OC ZINC001651418749 1101326872 /nfs/dbraw/zinc/32/68/72/1101326872.db2.gz UDNMPOWLMQWVNB-JTQLQIEISA-N 0 0 332.360 2.534 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCC(F)(F)CO ZINC001651726460 1101372915 /nfs/dbraw/zinc/37/29/15/1101372915.db2.gz POXOYVTVMCDYDQ-UHFFFAOYSA-N 0 0 336.294 2.865 10 10 EFCERN Cc1cc(C(=O)Cn2cncc(F)c2=O)c(C)n1-c1cccc(F)c1 ZINC001651989292 1101415244 /nfs/dbraw/zinc/41/52/44/1101415244.db2.gz SFIFRKJRYWNBCX-UHFFFAOYSA-N 0 0 343.333 2.812 10 10 EFCERN CC[C@@H](C)n1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1C ZINC000784940508 1101426079 /nfs/dbraw/zinc/42/60/79/1101426079.db2.gz YVYYXBQNGPBPSN-SNVBAGLBSA-N 0 0 332.356 2.613 10 10 EFCERN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001652252326 1101460763 /nfs/dbraw/zinc/46/07/63/1101460763.db2.gz IXJGOMVROGUWBF-OAHLLOKOSA-N 0 0 325.368 2.942 10 10 EFCERN CCOc1cc(/C=C/C(=O)NCc2c(O)cccc2O)ccc1O ZINC001652625290 1101522299 /nfs/dbraw/zinc/52/22/99/1101522299.db2.gz ACHFHPQXTPZICB-VQHVLOKHSA-N 0 0 329.352 2.532 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001652623364 1101522628 /nfs/dbraw/zinc/52/26/28/1101522628.db2.gz VSOKFFNHJCNVIJ-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN CC(=O)NC1CCC(C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001652708446 1101533414 /nfs/dbraw/zinc/53/34/14/1101533414.db2.gz DJUDFYDZJHWBBP-UHFFFAOYSA-N 0 0 340.423 2.857 10 10 EFCERN COC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000843545000 1101536276 /nfs/dbraw/zinc/53/62/76/1101536276.db2.gz MWLGAAWECNEGHL-UHFFFAOYSA-N 0 0 340.370 2.552 10 10 EFCERN Cc1cc(C(=O)N[C@@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1C ZINC001652786713 1101546911 /nfs/dbraw/zinc/54/69/11/1101546911.db2.gz GMVPZVDILRVXRD-INIZCTEOSA-N 0 0 338.411 2.589 10 10 EFCERN Cc1cc(C(=O)NCc2nnc(C)[nH]2)c(C)n1-c1ccc(F)cc1 ZINC001653299213 1101608149 /nfs/dbraw/zinc/60/81/49/1101608149.db2.gz SFRKSHJXAKXUTG-UHFFFAOYSA-N 0 0 327.363 2.590 10 10 EFCERN C[C@H](CC(=O)NCc1cccc(Cl)c1O)NC(=O)c1ccccc1 ZINC001653563881 1101632947 /nfs/dbraw/zinc/63/29/47/1101632947.db2.gz QZWNULMEGWUBJN-GFCCVEGCSA-N 0 0 346.814 2.870 10 10 EFCERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(F)CC1 ZINC000843545825 1101644797 /nfs/dbraw/zinc/64/47/97/1101644797.db2.gz ZRQNIAYFDNAJRS-UHFFFAOYSA-N 0 0 328.334 2.875 10 10 EFCERN CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1c(F)ccc(O)c1O ZINC001654270638 1101700392 /nfs/dbraw/zinc/70/03/92/1101700392.db2.gz NQHUSPZUWDQION-UHFFFAOYSA-N 0 0 341.342 2.695 10 10 EFCERN Cc1[nH]c2ccccc2c1CCNC(=O)c1c(F)ccc(O)c1O ZINC001654280408 1101700707 /nfs/dbraw/zinc/70/07/07/1101700707.db2.gz HLPZIVBOMOHTBH-UHFFFAOYSA-N 0 0 328.343 2.999 10 10 EFCERN Cc1[nH]c2ccccc2c1C1=CCN(c2cc(C(N)=O)ncn2)CC1 ZINC001655303661 1101809174 /nfs/dbraw/zinc/80/91/74/1101809174.db2.gz QIYSDYSEYYGOBH-UHFFFAOYSA-N 0 0 333.395 2.659 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(C)(C)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001655561822 1101846127 /nfs/dbraw/zinc/84/61/27/1101846127.db2.gz HVMMHCJAVKBJCK-PPDNHJNESA-N 0 0 346.383 2.642 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840857989 1101867532 /nfs/dbraw/zinc/86/75/32/1101867532.db2.gz WVDSTUXGBJWPLX-LLVKDONJSA-N 0 0 340.379 2.938 10 10 EFCERN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840857990 1101869427 /nfs/dbraw/zinc/86/94/27/1101869427.db2.gz WVDSTUXGBJWPLX-NSHDSACASA-N 0 0 340.379 2.938 10 10 EFCERN Cc1cc(CNc2ncnc3c2nnn3C)c(C)n1-c1ccccc1 ZINC001655750929 1101884657 /nfs/dbraw/zinc/88/46/57/1101884657.db2.gz USDSBIPCGYCCMH-UHFFFAOYSA-N 0 0 333.399 2.778 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cccnn2)c1 ZINC001626246551 1101933017 /nfs/dbraw/zinc/93/30/17/1101933017.db2.gz LAQQAVIPKNXNIG-UHFFFAOYSA-N 0 0 334.379 2.627 10 10 EFCERN CC(C)(C)OC1CC(CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784960331 1102089176 /nfs/dbraw/zinc/08/91/76/1102089176.db2.gz RXNBBPSXADSJKL-UHFFFAOYSA-N 0 0 336.384 2.808 10 10 EFCERN COC(=O)c1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1N(C)C ZINC001656825981 1102214149 /nfs/dbraw/zinc/21/41/49/1102214149.db2.gz KEBVFLTUTJWRAF-XJKSGUPXSA-N 0 0 348.443 2.613 10 10 EFCERN COc1ccc(O)c([C@H](C)NCc2nc3ccccc3c(=O)[nH]2)c1 ZINC001658023809 1102428161 /nfs/dbraw/zinc/42/81/61/1102428161.db2.gz PDNMYVNVSJDMML-NSHDSACASA-N 0 0 325.368 2.900 10 10 EFCERN Cc1cc(O)c(CN2CCC([N@H+](C)CCCO)CC2)c(Cl)c1 ZINC000840915738 1102452035 /nfs/dbraw/zinc/45/20/35/1102452035.db2.gz SQDAIZHFKLPZNV-UHFFFAOYSA-N 0 0 326.868 2.633 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCOc2c(C)cccc2C)cc1 ZINC001659292874 1102531230 /nfs/dbraw/zinc/53/12/30/1102531230.db2.gz ZKUYIBRSIHDKDZ-UHFFFAOYSA-N 0 0 342.439 2.943 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1NS(C)(=O)=O ZINC001648891965 1102555847 /nfs/dbraw/zinc/55/58/47/1102555847.db2.gz JXBIOVRNLIPIFD-LBPRGKRZSA-N 0 0 348.424 2.563 10 10 EFCERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840998369 1102705826 /nfs/dbraw/zinc/70/58/26/1102705826.db2.gz BHLLRJYEPZGULB-OAHLLOKOSA-N 0 0 343.379 2.687 10 10 EFCERN C[C@@H]1OCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C(F)(F)F ZINC001167368515 1102891042 /nfs/dbraw/zinc/89/10/42/1102891042.db2.gz CMRVXBGENRZSNA-KWQFWETISA-N 0 0 344.293 2.641 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccccc2SC)c1 ZINC001126629352 1103452028 /nfs/dbraw/zinc/45/20/28/1103452028.db2.gz JHETWOMIJOGGHE-HJWRWDBZSA-N 0 0 341.436 2.839 10 10 EFCERN C[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737321 1103572320 /nfs/dbraw/zinc/57/23/20/1103572320.db2.gz GSGVNLYCAFUJMF-AWEZNQCLSA-N 0 0 341.407 2.940 10 10 EFCERN COC(=O)[C@@H](C)C1=S=C(c2ccc(N=S(C)(C)=O)cc2)C=C1 ZINC000906209252 1104009662 /nfs/dbraw/zinc/00/96/62/1104009662.db2.gz RUKBTMPGYHIDPY-NSHDSACASA-N 0 0 337.466 2.851 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000906283196 1104069133 /nfs/dbraw/zinc/06/91/33/1104069133.db2.gz VSNRGGXMAFPPET-DLBZAZTESA-N 0 0 332.444 2.738 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000906510823 1104256951 /nfs/dbraw/zinc/25/69/51/1104256951.db2.gz DIVCOVQPPNDYQJ-KSSFIOAISA-N 0 0 332.444 2.595 10 10 EFCERN CC[C@@H](F)CN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667669045 1105172857 /nfs/dbraw/zinc/17/28/57/1105172857.db2.gz KSOFUVAKVDFGMQ-CYBMUJFWSA-N 0 0 337.399 2.601 10 10 EFCERN COc1ccc2c(c1)OCC(C(=O)N(C)Cc1ccccc1O)=C2 ZINC000086331513 1105796916 /nfs/dbraw/zinc/79/69/16/1105796916.db2.gz RBHDVMYNPKAOCT-UHFFFAOYSA-N 0 0 325.364 2.835 10 10 EFCERN O=C(CCc1nc2ccccc2s1)NCc1ccc(O)cc1O ZINC001626838187 1106023517 /nfs/dbraw/zinc/02/35/17/1106023517.db2.gz QIVUEHQDDVFTKG-UHFFFAOYSA-N 0 0 328.393 2.957 10 10 EFCERN C[C@@H]1[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000925318337 1106048853 /nfs/dbraw/zinc/04/88/53/1106048853.db2.gz FKHOJGWTMNIARP-RDTXWAMCSA-N 0 0 330.476 2.519 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)c2nccn21 ZINC000897913515 1106146815 /nfs/dbraw/zinc/14/68/15/1106146815.db2.gz QAKRLTWFGSYWHM-PSASIEDQSA-N 0 0 329.381 2.945 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](C2CCC2)C1 ZINC000897969817 1106156098 /nfs/dbraw/zinc/15/60/98/1106156098.db2.gz HKLDSYYSGLIHAD-CQSZACIVSA-N 0 0 333.409 2.954 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)CC12CCC2 ZINC000898000271 1106174762 /nfs/dbraw/zinc/17/47/62/1106174762.db2.gz PAGCYXOTTSZTJM-NSHDSACASA-N 0 0 333.409 2.832 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cncc2[nH]cnc21 ZINC000897983899 1106185579 /nfs/dbraw/zinc/18/55/79/1106185579.db2.gz NPIIUKFQUCUYIK-ZDUSSCGKSA-N 0 0 337.427 2.693 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)c(C)c1 ZINC001142537486 1106260203 /nfs/dbraw/zinc/26/02/03/1106260203.db2.gz LSWKKZKVXWVLRS-UHFFFAOYSA-N 0 0 330.340 2.515 10 10 EFCERN C[C@H](CO)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000898277458 1106301137 /nfs/dbraw/zinc/30/11/37/1106301137.db2.gz NJLMQBHDYZXTNS-SNVBAGLBSA-N 0 0 335.425 2.793 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)NCCCSc3nccs3)c2C1 ZINC000843796558 1106319496 /nfs/dbraw/zinc/31/94/96/1106319496.db2.gz NXQKLYIVRQQKPF-NSHDSACASA-N 0 0 336.486 2.834 10 10 EFCERN O=C(NCc1noc2ccc(F)cc21)N1Cc2cccc(O)c2C1 ZINC001675388366 1106349842 /nfs/dbraw/zinc/34/98/42/1106349842.db2.gz CZVRWYFZDQOCSX-UHFFFAOYSA-N 0 0 327.315 2.898 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC001676697990 1106560968 /nfs/dbraw/zinc/56/09/68/1106560968.db2.gz HYEJWUYUOBEHQX-JCGIZDLHSA-N 0 0 331.460 2.961 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC001676697989 1106561062 /nfs/dbraw/zinc/56/10/62/1106561062.db2.gz HYEJWUYUOBEHQX-FHLIZLRMSA-N 0 0 331.460 2.961 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1 ZINC001676872400 1106611483 /nfs/dbraw/zinc/61/14/83/1106611483.db2.gz AENBMOWFVYDTTI-QMMMGPOBSA-N 0 0 344.293 2.663 10 10 EFCERN Cc1c(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001679730721 1107676622 /nfs/dbraw/zinc/67/66/22/1107676622.db2.gz BPAORYOEGFLOMA-UHFFFAOYSA-N 0 0 341.459 2.670 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2cccc(OC)c2O)cc1 ZINC000729859113 1107841631 /nfs/dbraw/zinc/84/16/31/1107841631.db2.gz JCBUZDKVDRKJQL-UHFFFAOYSA-N 0 0 330.340 2.509 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCOc2ccc(F)cc21 ZINC001681387045 1108240480 /nfs/dbraw/zinc/24/04/80/1108240480.db2.gz YIZCEZRCLYVGQK-CQSZACIVSA-N 0 0 334.322 2.993 10 10 EFCERN CCO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)CN(C)C ZINC000926958595 1108268223 /nfs/dbraw/zinc/26/82/23/1108268223.db2.gz GYVMDHIENLCPAQ-AAEUAGOBSA-N 0 0 345.281 2.772 10 10 EFCERN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926960591 1108292883 /nfs/dbraw/zinc/29/28/83/1108292883.db2.gz GABRLBCOKDWFOB-TVQRCGJNSA-N 0 0 335.326 2.834 10 10 EFCERN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926960582 1108293125 /nfs/dbraw/zinc/29/31/25/1108293125.db2.gz GABRLBCOKDWFOB-NOZJJQNGSA-N 0 0 335.326 2.834 10 10 EFCERN CO[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001681617639 1108364225 /nfs/dbraw/zinc/36/42/25/1108364225.db2.gz IRGLZMJGWQXQRI-SJLPKXTDSA-N 0 0 331.460 2.996 10 10 EFCERN CO[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001681617637 1108364432 /nfs/dbraw/zinc/36/44/32/1108364432.db2.gz IRGLZMJGWQXQRI-AEFFLSMTSA-N 0 0 331.460 2.996 10 10 EFCERN CCOC(=O)CN1c2ccccc2/C(=C\c2oc(C)nc2C)C1=O ZINC000905074204 1108396135 /nfs/dbraw/zinc/39/61/35/1108396135.db2.gz NRGGUCRVJMBUIE-NTEUORMPSA-N 0 0 326.352 2.742 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001682627934 1108624408 /nfs/dbraw/zinc/62/44/08/1108624408.db2.gz HWYGSUSUJCUEMN-FUHWJXTLSA-N 0 0 341.411 2.849 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@@H](OC(C)C)C2)cc1 ZINC001683034684 1108659090 /nfs/dbraw/zinc/65/90/90/1108659090.db2.gz MNFYYHLCTMISTN-RHNCMZPLSA-N 0 0 349.475 2.729 10 10 EFCERN Cc1nc(CC2CC2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784903318 1108719029 /nfs/dbraw/zinc/71/90/29/1108719029.db2.gz DQEUCFRGDSFKRT-UHFFFAOYSA-N 0 0 347.392 2.855 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCCN(CCF)C2)c(C)n1-c1ccccn1 ZINC000898491530 1108973956 /nfs/dbraw/zinc/97/39/56/1108973956.db2.gz ZLISAEJDXZYJOI-INIZCTEOSA-N 0 0 344.434 2.653 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000898625596 1109035068 /nfs/dbraw/zinc/03/50/68/1109035068.db2.gz JGEFLUKQSXXYFU-IWCQGFGOSA-N 0 0 344.455 2.539 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000898625594 1109035172 /nfs/dbraw/zinc/03/51/72/1109035172.db2.gz JGEFLUKQSXXYFU-HJWJTTGWSA-N 0 0 344.455 2.539 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@](O)(C2CC2)C1 ZINC000898720739 1109062525 /nfs/dbraw/zinc/06/25/25/1109062525.db2.gz HBVBIEAUURZKOE-KRWDZBQOSA-N 0 0 333.409 2.690 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](CCF)C1 ZINC000899141701 1109218004 /nfs/dbraw/zinc/21/80/04/1109218004.db2.gz GDXBTJIKOPAZRW-SNVBAGLBSA-N 0 0 325.361 2.513 10 10 EFCERN COC(=O)[C@@]1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000899155534 1109227173 /nfs/dbraw/zinc/22/71/73/1109227173.db2.gz FCXGOWPOTUCGOT-XYZCENFISA-N 0 0 349.408 2.584 10 10 EFCERN CC(C)(O)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899192544 1109238157 /nfs/dbraw/zinc/23/81/57/1109238157.db2.gz LECLQSJRTLVQEJ-NSHDSACASA-N 0 0 335.425 2.936 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3CSC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000899382476 1109304197 /nfs/dbraw/zinc/30/41/97/1109304197.db2.gz PABKDTKZARKRNL-GASCZTMLSA-N 0 0 327.453 2.924 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOCC1 ZINC000784855923 1118787806 /nfs/dbraw/zinc/78/78/06/1118787806.db2.gz SZDQIZRCEUKERA-MRXNPFEDSA-N 0 0 334.485 2.673 10 10 EFCERN COC(=O)[C@@H](C)NC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228573 201771841 /nfs/dbraw/zinc/77/18/41/201771841.db2.gz UNBPBRUVAQOXPZ-CQSZACIVSA-N 0 0 343.427 2.763 10 10 EFCERN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(C)c3)=N2)cc1 ZINC000020924392 202058600 /nfs/dbraw/zinc/05/86/00/202058600.db2.gz WYTVMWDMABNFJM-QGZVFWFLSA-N 0 0 335.407 2.904 10 10 EFCERN COC(=O)c1cc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)oc1C ZINC000024714718 202119001 /nfs/dbraw/zinc/11/90/01/202119001.db2.gz SXOIOSVMJBYEJP-MDZDMXLPSA-N 0 0 342.395 2.770 10 10 EFCERN Cc1cccc(C(=O)NN2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c1 ZINC000027230981 202153239 /nfs/dbraw/zinc/15/32/39/202153239.db2.gz JOOJDOLHHRTQQK-UKTHLTGXSA-N 0 0 343.433 2.869 10 10 EFCERN Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000034957411 202282311 /nfs/dbraw/zinc/28/23/11/202282311.db2.gz CVPYBJIWUAFLJM-UHFFFAOYSA-N 0 0 327.203 2.832 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@]3(CCSC3)C2=O)cc1Cl ZINC000277897986 283651918 /nfs/dbraw/zinc/65/19/18/283651918.db2.gz CPUYCTUBPDVBPL-LBPRGKRZSA-N 0 0 332.212 2.508 10 10 EFCERN Cc1cc(C(=O)CN(C)Cc2nc[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000174816817 239244562 /nfs/dbraw/zinc/24/45/62/239244562.db2.gz WIAMTAMHMWESFZ-UHFFFAOYSA-N 0 0 341.390 2.666 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc(F)cc1 ZINC000177428838 239372900 /nfs/dbraw/zinc/37/29/00/239372900.db2.gz ISHVZNJMEDGXAI-HNNXBMFYSA-N 0 0 337.416 2.502 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1cccc(C)c1 ZINC000177443148 239374621 /nfs/dbraw/zinc/37/46/21/239374621.db2.gz APAWENSDDBBOSQ-MRXNPFEDSA-N 0 0 333.453 2.672 10 10 EFCERN Cc1nc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)s1 ZINC000179161798 239461737 /nfs/dbraw/zinc/46/17/37/239461737.db2.gz KXKOGHNAZXAUTE-UHFFFAOYSA-N 0 0 349.431 2.666 10 10 EFCERN Cc1nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000178996725 239453088 /nfs/dbraw/zinc/45/30/88/239453088.db2.gz HYRHLLAGYKMKNF-UHFFFAOYSA-N 0 0 345.468 2.869 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192983324 240079352 /nfs/dbraw/zinc/07/93/52/240079352.db2.gz OHFXEYVAWJWFAW-DTWKUNHWSA-N 0 0 327.215 2.956 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCC(=O)N3)cc2)CC1 ZINC000194067811 240137912 /nfs/dbraw/zinc/13/79/12/240137912.db2.gz OAHLKXSMZZSNAD-GOSISDBHSA-N 0 0 343.471 2.598 10 10 EFCERN COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1N1CCCC1=O ZINC000237329451 240243438 /nfs/dbraw/zinc/24/34/38/240243438.db2.gz WMRGHSGLPWFGDX-UHFFFAOYSA-N 0 0 339.395 2.585 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000249204923 240299574 /nfs/dbraw/zinc/29/95/74/240299574.db2.gz RPMZBNIAMVGZEC-UAGQMJEPSA-N 0 0 325.412 2.786 10 10 EFCERN C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000245809731 240262057 /nfs/dbraw/zinc/26/20/57/240262057.db2.gz ZELVSZBTMMVMHK-QWRGUYRKSA-N 0 0 333.259 2.586 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1O ZINC000246397551 240267702 /nfs/dbraw/zinc/26/77/02/240267702.db2.gz PTIOWSMZUPQSQP-CGTJXYLNSA-N 0 0 338.407 2.928 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCS[C@H]3COCC[C@H]32)c1O ZINC000247297044 240279164 /nfs/dbraw/zinc/27/91/64/240279164.db2.gz ULVFZZIFYFELGJ-CABCVRRESA-N 0 0 341.860 2.955 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1 ZINC000272546904 240667951 /nfs/dbraw/zinc/66/79/51/240667951.db2.gz AGUCSRSDOUISPJ-UHFFFAOYSA-N 0 0 340.423 2.531 10 10 EFCERN CCN(CC)c1ccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc1 ZINC000000201259 201446940 /nfs/dbraw/zinc/44/69/40/201446940.db2.gz YHPWNGYUOKNVGC-HNNXBMFYSA-N 0 0 334.445 2.534 10 10 EFCERN CN1CCCc2cc(CN3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)ccc21 ZINC000277911522 240794066 /nfs/dbraw/zinc/79/40/66/240794066.db2.gz PXXGFVKWYKQMLM-NUJGCVRESA-N 0 0 339.439 2.632 10 10 EFCERN COc1ccc(N2CCN(Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000281931992 240963187 /nfs/dbraw/zinc/96/31/87/240963187.db2.gz IAYZRXSMTTUEOS-UHFFFAOYSA-N 0 0 349.438 2.598 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCCCc2nccs2)cc1F ZINC000290855193 241021254 /nfs/dbraw/zinc/02/12/54/241021254.db2.gz AXQJWYNWTDPSLG-UHFFFAOYSA-N 0 0 336.436 2.780 10 10 EFCERN CCn1ccnc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296220556 241078197 /nfs/dbraw/zinc/07/81/97/241078197.db2.gz FSFPSFJAVMNODD-UHFFFAOYSA-N 0 0 327.432 2.503 10 10 EFCERN C[C@@]1(F)CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000296456256 241086872 /nfs/dbraw/zinc/08/68/72/241086872.db2.gz VEHDNNBYANDUFJ-GOSISDBHSA-N 0 0 335.423 2.557 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)cc1 ZINC000294297657 241040808 /nfs/dbraw/zinc/04/08/08/241040808.db2.gz CJPQCGROFSLCNY-WMZOPIPTSA-N 0 0 334.460 2.591 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000295778602 241062064 /nfs/dbraw/zinc/06/20/64/241062064.db2.gz QOCBUSIWRBTZOZ-SECBINFHSA-N 0 0 340.301 2.873 10 10 EFCERN CN(C)c1ccc(CN(C(=O)N[C@H]2CCOC2(C)C)C2CC2)cc1 ZINC000298050950 241139728 /nfs/dbraw/zinc/13/97/28/241139728.db2.gz ISMDRJJLVNKGAJ-KRWDZBQOSA-N 0 0 331.460 2.994 10 10 EFCERN CSCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298856877 241162522 /nfs/dbraw/zinc/16/25/22/241162522.db2.gz MNGOOYVLPQEYSE-BETUJISGSA-N 0 0 340.464 2.809 10 10 EFCERN CC(C)Oc1nccnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000302231976 241193271 /nfs/dbraw/zinc/19/32/71/241193271.db2.gz SGMWHMQRKIFBEI-UHFFFAOYSA-N 0 0 342.443 2.737 10 10 EFCERN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1ccc(Br)o1 ZINC000001508512 201510630 /nfs/dbraw/zinc/51/06/30/201510630.db2.gz ZTURGPIULKJFTD-UHFFFAOYSA-N 0 0 348.156 2.522 10 10 EFCERN CSCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363631866 242280362 /nfs/dbraw/zinc/28/03/62/242280362.db2.gz SXCAZAWYIXOVJC-UHFFFAOYSA-N 0 0 330.400 2.736 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(N)=O)c3ccccc32)c1O ZINC000366988466 242370493 /nfs/dbraw/zinc/37/04/93/242370493.db2.gz SLBUQBLDNJLHGD-OAHLLOKOSA-N 0 0 342.370 2.713 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366111591 242342709 /nfs/dbraw/zinc/34/27/09/242342709.db2.gz BYNREKTUAINDPZ-OAHLLOKOSA-N 0 0 342.443 2.985 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1OCC[C@@H]2O ZINC000364176867 242293257 /nfs/dbraw/zinc/29/32/57/242293257.db2.gz RNIYUCIWBCGPHN-DYLGSBMWSA-N 0 0 327.336 2.566 10 10 EFCERN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470687 242297720 /nfs/dbraw/zinc/29/77/20/242297720.db2.gz DDENKKYMFLAKKZ-MFKMUULPSA-N 0 0 326.799 2.675 10 10 EFCERN Cc1cccc(NC[C@H]2CCCN2C(=O)c2cccc(O)c2O)n1 ZINC000365559563 242328911 /nfs/dbraw/zinc/32/89/11/242328911.db2.gz SLRXHLCHEKKNIX-CYBMUJFWSA-N 0 0 327.384 2.518 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCCOC3)cc1F ZINC000367878994 242395273 /nfs/dbraw/zinc/39/52/73/242395273.db2.gz QFZSSPPSSRANFN-SFHVURJKSA-N 0 0 335.423 2.604 10 10 EFCERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000368054657 242402871 /nfs/dbraw/zinc/40/28/71/242402871.db2.gz BOOJIWGTODCQLK-DDUKQJAGSA-N 0 0 339.391 2.962 10 10 EFCERN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)on1 ZINC000065541411 202860264 /nfs/dbraw/zinc/86/02/64/202860264.db2.gz NSOUTUBEXXLKTC-AWEZNQCLSA-N 0 0 331.372 2.902 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000071834959 203124535 /nfs/dbraw/zinc/12/45/35/203124535.db2.gz KVABGWBKXJQSIB-SJORKVTESA-N 0 0 326.396 2.741 10 10 EFCERN O=C(Nc1ccc(O)c(CN2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000071916747 203150415 /nfs/dbraw/zinc/15/04/15/203150415.db2.gz AATNYFHQMKULJX-UHFFFAOYSA-N 0 0 348.349 2.755 10 10 EFCERN CC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000074585980 203292230 /nfs/dbraw/zinc/29/22/30/203292230.db2.gz OTHYKEPXMXEHFM-UHFFFAOYSA-N 0 0 339.395 2.734 10 10 EFCERN COc1cc(OC)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O ZINC000002019622 205602417 /nfs/dbraw/zinc/60/24/17/205602417.db2.gz FXGCMNIMMTVBFZ-UHFFFAOYSA-N 0 0 330.292 2.594 10 10 biogenic EFCERN CO[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444371562 250293944 /nfs/dbraw/zinc/29/39/44/250293944.db2.gz MKYOXIIRDUUMNX-HNNXBMFYSA-N 0 0 343.471 2.559 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(OC(F)F)c1 ZINC000450044400 251242000 /nfs/dbraw/zinc/24/20/00/251242000.db2.gz DDZGSVZTKXBCQJ-UHFFFAOYSA-N 0 0 349.337 2.788 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277305047 296426046 /nfs/dbraw/zinc/42/60/46/296426046.db2.gz LDRVVSHVGCNPKB-JQHSSLGASA-N 0 0 339.439 2.850 10 10 EFCERN Cc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1C ZINC000052642059 132185050 /nfs/dbraw/zinc/18/50/50/132185050.db2.gz VVOQQBUOHUWFDC-UHFFFAOYSA-N 0 0 326.322 2.975 10 10 EFCERN Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000096935899 292040169 /nfs/dbraw/zinc/04/01/69/292040169.db2.gz USGXBUQAVBCWPX-NTCAYCPXSA-N 0 0 348.493 2.528 10 10 EFCERN COc1ccc(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1 ZINC000286857420 277417777 /nfs/dbraw/zinc/41/77/77/277417777.db2.gz GXHKBTFUNUSOHV-UHFFFAOYSA-N 0 0 328.372 2.512 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000137994787 473214857 /nfs/dbraw/zinc/21/48/57/473214857.db2.gz FNUDXNDWHCDTMI-BEFAXECRSA-N 0 0 349.450 2.728 10 10 EFCERN COc1cc(C(=O)C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000138536143 473221225 /nfs/dbraw/zinc/22/12/25/473221225.db2.gz QSXSPHXEIYYLKI-UHFFFAOYSA-N 0 0 343.379 2.844 10 10 EFCERN CN1CCN(c2ccc(CN3CCOc4ccccc43)cc2F)CC1 ZINC000096003679 473252093 /nfs/dbraw/zinc/25/20/93/473252093.db2.gz LJASMCUXXQSROT-UHFFFAOYSA-N 0 0 341.430 2.977 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)[nH]n1 ZINC000124663291 473282763 /nfs/dbraw/zinc/28/27/63/473282763.db2.gz VDPKILORDXQGSU-ZDUSSCGKSA-N 0 0 341.459 2.531 10 10 EFCERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)CC(C)C)cc2)CC1 ZINC000190582741 473327493 /nfs/dbraw/zinc/32/74/93/473327493.db2.gz BTPHPKFPRZKBIX-MRXNPFEDSA-N 0 0 345.487 2.654 10 10 EFCERN COc1ccc2c(c1)CCCCN2C(=O)c1ccnc2c1CC(=O)N2 ZINC000613160057 479897305 /nfs/dbraw/zinc/89/73/05/479897305.db2.gz MVNKREMWRYHRSH-UHFFFAOYSA-N 0 0 337.379 2.568 10 10 EFCERN Cc1cc(C(=O)C(=O)Nc2nncs2)c(C)n1-c1ccc(F)cc1 ZINC000006780861 471570006 /nfs/dbraw/zinc/57/00/06/471570006.db2.gz JPSHMNDNHSKYRA-UHFFFAOYSA-N 0 0 344.371 2.906 10 10 EFCERN COC(=O)c1cnn2c1[nH]c(C)c(Cc1ccccc1Cl)c2=O ZINC000009490685 471716025 /nfs/dbraw/zinc/71/60/25/471716025.db2.gz CQUBSCXVWIWNJP-UHFFFAOYSA-N 0 0 331.759 2.774 10 10 EFCERN Cc1c(S(=O)(=O)c2ccc(C)c(C)c2)nnn1-c1ccc(N)cc1 ZINC000011730784 471759398 /nfs/dbraw/zinc/75/93/98/471759398.db2.gz WZCNJIKAAJVXAP-UHFFFAOYSA-N 0 0 342.424 2.608 10 10 EFCERN COC[C@@H](C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000012515208 471777543 /nfs/dbraw/zinc/77/75/43/471777543.db2.gz CQJQFCXQQQCFIP-ZECSTPGPSA-N 0 0 336.482 2.989 10 10 EFCERN Cc1cccc(C(=O)NC2=N[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c1 ZINC000020530769 471990890 /nfs/dbraw/zinc/99/08/90/471990890.db2.gz ZXSXFEHJTPOOEH-OAHLLOKOSA-N 0 0 341.798 2.995 10 10 EFCERN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(F)c3)=N2)cc1 ZINC000020924380 471993554 /nfs/dbraw/zinc/99/35/54/471993554.db2.gz LGSRNANYOLIQEQ-MRXNPFEDSA-N 0 0 339.370 2.735 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnn3ccc(C)nc23)cc1 ZINC000075672469 472179810 /nfs/dbraw/zinc/17/98/10/472179810.db2.gz VRRLYDIUGNXZPN-UHFFFAOYSA-N 0 0 337.427 2.814 10 10 EFCERN COCCN(Cc1ccc(OC)nc1)c1ccc(OC)c(OC)c1 ZINC000085822787 472267789 /nfs/dbraw/zinc/26/77/89/472267789.db2.gz PCZFEIQVASEKGG-UHFFFAOYSA-N 0 0 332.400 2.760 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccc(N3CCCC3)nc2)c1O ZINC000069216826 472308432 /nfs/dbraw/zinc/30/84/32/472308432.db2.gz CBHYOMYCCRFHNI-UHFFFAOYSA-N 0 0 342.399 2.718 10 10 EFCERN CCOC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000044711343 472333470 /nfs/dbraw/zinc/33/34/70/472333470.db2.gz IDZJDTQHADCCAU-UHFFFAOYSA-N 0 0 341.411 2.594 10 10 EFCERN CCOc1ccc(N(CC2CC2)C(=O)c2ccoc2CC(N)=O)cc1 ZINC000633756005 479982000 /nfs/dbraw/zinc/98/20/00/479982000.db2.gz COEVOPPNINMHHD-UHFFFAOYSA-N 0 0 342.395 2.763 10 10 EFCERN COc1ccc(F)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000088547032 472373253 /nfs/dbraw/zinc/37/32/53/472373253.db2.gz UTOZEJCTVMECJR-UHFFFAOYSA-N 0 0 339.373 2.640 10 10 EFCERN Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000057046972 472378833 /nfs/dbraw/zinc/37/88/33/472378833.db2.gz LBWIKISFXFQTNG-UHFFFAOYSA-N 0 0 348.443 2.891 10 10 EFCERN Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000128413772 472446871 /nfs/dbraw/zinc/44/68/71/472446871.db2.gz LWGQZQIFMOGFPN-JTQLQIEISA-N 0 0 336.779 2.677 10 10 EFCERN Cc1ccc([C@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)cc1 ZINC000097165879 472470518 /nfs/dbraw/zinc/47/05/18/472470518.db2.gz LETXHYWUCNNSOE-MRXNPFEDSA-N 0 0 330.409 2.811 10 10 EFCERN Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)cc1 ZINC000097165878 472470556 /nfs/dbraw/zinc/47/05/56/472470556.db2.gz LETXHYWUCNNSOE-INIZCTEOSA-N 0 0 330.409 2.811 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)C(=O)N(C)C)c(C)n1-c1cccc(C)c1 ZINC000046830434 472606299 /nfs/dbraw/zinc/60/62/99/472606299.db2.gz FDYQRUBEHRQDEO-AWEZNQCLSA-N 0 0 327.428 2.609 10 10 EFCERN COc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1F ZINC000090630404 472644665 /nfs/dbraw/zinc/64/46/65/472644665.db2.gz VXKNQYPGRZZPDS-UHFFFAOYSA-N 0 0 330.359 2.940 10 10 EFCERN COC(=O)CCn1nc(C)c(CN2CCc3cc(OC)ccc32)c1C ZINC000156624411 472733449 /nfs/dbraw/zinc/73/34/49/472733449.db2.gz PDTRUZUNUPMWAZ-UHFFFAOYSA-N 0 0 343.427 2.634 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000156737025 472746123 /nfs/dbraw/zinc/74/61/23/472746123.db2.gz APQXTCMTYNJTGI-STQMWFEESA-N 0 0 333.334 2.838 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000133018798 472768674 /nfs/dbraw/zinc/76/86/74/472768674.db2.gz LGMSFQUGHMLNBZ-FNORWQNLSA-N 0 0 344.371 2.504 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccnn2[C@H](C)C2CC2)c1O ZINC000157033334 472778393 /nfs/dbraw/zinc/77/83/93/472778393.db2.gz MPPGAHQVAZOJTJ-LLVKDONJSA-N 0 0 330.388 2.890 10 10 EFCERN COc1cccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1O ZINC000092094837 472856653 /nfs/dbraw/zinc/85/66/53/472856653.db2.gz GXSJFVLJGLHHHU-CZUORRHYSA-N 0 0 335.350 2.987 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)cc1F ZINC000158088296 472892039 /nfs/dbraw/zinc/89/20/39/472892039.db2.gz DOBSWQYZTDRZPL-UHFFFAOYSA-N 0 0 345.422 2.704 10 10 EFCERN Cc1[nH]c2ccccc2c1C1=CCN(c2cncc(C(N)=O)n2)CC1 ZINC000092687569 472964015 /nfs/dbraw/zinc/96/40/15/472964015.db2.gz XOYAIFMYZYWYBP-UHFFFAOYSA-N 0 0 333.395 2.659 10 10 EFCERN c1cnn(C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167313 472983442 /nfs/dbraw/zinc/98/34/42/472983442.db2.gz LTZNXOKVQQAPOG-HXUWFJFHSA-N 0 0 340.471 2.774 10 10 EFCERN c1cnn(C[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167094 472983909 /nfs/dbraw/zinc/98/39/09/472983909.db2.gz LTZNXOKVQQAPOG-FQEVSTJZSA-N 0 0 340.471 2.774 10 10 EFCERN COc1ccc(N2CCC(N(C)C(=O)c3cc(C)no3)CC2)cc1 ZINC000065614828 472991528 /nfs/dbraw/zinc/99/15/28/472991528.db2.gz OUVAXTLGUHHJGW-UHFFFAOYSA-N 0 0 329.400 2.733 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000122397972 473010373 /nfs/dbraw/zinc/01/03/73/473010373.db2.gz CUBJXXOVCIFVHH-CHWSQXEVSA-N 0 0 333.334 2.838 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000122398641 473010935 /nfs/dbraw/zinc/01/09/35/473010935.db2.gz CUBJXXOVCIFVHH-STQMWFEESA-N 0 0 333.334 2.838 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000108395034 473024026 /nfs/dbraw/zinc/02/40/26/473024026.db2.gz SVCYASXJMBMBJR-MGNBDDOMSA-N 0 0 334.279 2.662 10 10 EFCERN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1 ZINC000066360718 473080181 /nfs/dbraw/zinc/08/01/81/473080181.db2.gz DHAMNAFNGFAQOK-UHFFFAOYSA-N 0 0 343.349 2.969 10 10 EFCERN Cc1ccc([C@H]2COCCN2Cc2ccc(N3CCOCC3)cc2)o1 ZINC000093459814 473109246 /nfs/dbraw/zinc/10/92/46/473109246.db2.gz WIPMETWMERPJSL-LJQANCHMSA-N 0 0 342.439 2.998 10 10 EFCERN C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000093644117 473127325 /nfs/dbraw/zinc/12/73/25/473127325.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 0 0 327.812 2.868 10 10 EFCERN CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093740081 473136540 /nfs/dbraw/zinc/13/65/40/473136540.db2.gz BERXCPOAWSYCRF-ZDUSSCGKSA-N 0 0 333.259 2.588 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cn2nc(C)cc2C)cc1F ZINC000066841591 473161554 /nfs/dbraw/zinc/16/15/54/473161554.db2.gz JDVHBCQDCNAZCR-UHFFFAOYSA-N 0 0 332.423 2.802 10 10 EFCERN CC(C)(C)n1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000191169992 473496809 /nfs/dbraw/zinc/49/68/09/473496809.db2.gz NEKLHUNJSTZTPR-QGZVFWFLSA-N 0 0 344.459 2.920 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151841712 473499198 /nfs/dbraw/zinc/49/91/98/473499198.db2.gz IUCJKWJTEAGKNB-VQIMIIECSA-N 0 0 331.460 2.589 10 10 EFCERN O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(O)c1O ZINC000185894828 473540777 /nfs/dbraw/zinc/54/07/77/473540777.db2.gz QDPCSOUXQYODOL-UHFFFAOYSA-N 0 0 349.333 2.812 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152439119 473562759 /nfs/dbraw/zinc/56/27/59/473562759.db2.gz NUIAPBXUSRRVAY-YCVPZWQRSA-N 0 0 346.383 2.786 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3nc(C)sc3C)CC2)cc1F ZINC000178896613 473587090 /nfs/dbraw/zinc/58/70/90/473587090.db2.gz UFKQQVFXFFZCDG-UHFFFAOYSA-N 0 0 349.431 2.870 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000186193787 473613102 /nfs/dbraw/zinc/61/31/02/473613102.db2.gz MUUUWRVNRUJFJM-WBAXXEDZSA-N 0 0 344.430 2.817 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179466401 473689648 /nfs/dbraw/zinc/68/96/48/473689648.db2.gz BREGTARULVIIMM-MJGOQNOKSA-N 0 0 339.439 2.979 10 10 EFCERN COC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024060 473728041 /nfs/dbraw/zinc/72/80/41/473728041.db2.gz ZWTKCHFORDPWHW-CHWSQXEVSA-N 0 0 342.386 2.656 10 10 EFCERN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186688579 473730369 /nfs/dbraw/zinc/73/03/69/473730369.db2.gz SYLMYOGWRMCHOL-RTBURBONSA-N 0 0 330.472 2.804 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000187178491 473832753 /nfs/dbraw/zinc/83/27/53/473832753.db2.gz CQXOEIMQZKWUNH-HXUWFJFHSA-N 0 0 340.423 2.726 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cnc4cnccc4c3)ccc21 ZINC000281771115 473832867 /nfs/dbraw/zinc/83/28/67/473832867.db2.gz GGQMFICYFWYSCJ-UHFFFAOYSA-N 0 0 332.407 2.942 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187404122 473867552 /nfs/dbraw/zinc/86/75/52/473867552.db2.gz FKQGXKCSECHQJM-KZNAEPCWSA-N 0 0 331.460 2.900 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187403705 473868443 /nfs/dbraw/zinc/86/84/43/473868443.db2.gz GSMWWOSEEODFGI-KZNAEPCWSA-N 0 0 329.444 2.654 10 10 EFCERN COc1cc(N(C)Cc2cc(C(N)=O)cs2)cc(OC)c1OC ZINC000180755203 473957719 /nfs/dbraw/zinc/95/77/19/473957719.db2.gz DIPGYSQGBRNGSY-UHFFFAOYSA-N 0 0 336.413 2.509 10 10 EFCERN COc1cc(N(C)Cc2cnn3ccccc23)cc(OC)c1OC ZINC000180758188 473959651 /nfs/dbraw/zinc/95/96/51/473959651.db2.gz YVHVAODWRPAQSJ-UHFFFAOYSA-N 0 0 327.384 2.997 10 10 EFCERN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@H]1C ZINC000188099809 473981296 /nfs/dbraw/zinc/98/12/96/473981296.db2.gz OTNZVOWAHXAPOE-CXAGYDPISA-N 0 0 327.428 2.986 10 10 EFCERN CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@H]1C ZINC000188099858 473981634 /nfs/dbraw/zinc/98/16/34/473981634.db2.gz OTNZVOWAHXAPOE-DYVFJYSZSA-N 0 0 327.428 2.986 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3cccn(C)c3=O)cc2)CC1 ZINC000264460110 473999156 /nfs/dbraw/zinc/99/91/56/473999156.db2.gz GPPCVIUBXPCNFF-UHFFFAOYSA-N 0 0 339.439 2.552 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CNC(=O)C1 ZINC000181584135 474050893 /nfs/dbraw/zinc/05/08/93/474050893.db2.gz JZRMJBAJPGNQIO-PBHICJAKSA-N 0 0 338.407 2.618 10 10 EFCERN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cn[nH]c1 ZINC000270351031 474083636 /nfs/dbraw/zinc/08/36/36/474083636.db2.gz PNJWLMMVCWQICT-CJNGLKHVSA-N 0 0 344.415 2.567 10 10 EFCERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188405916 474085064 /nfs/dbraw/zinc/08/50/64/474085064.db2.gz YKLBIBQAJCEBBT-GOSISDBHSA-N 0 0 333.476 2.835 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282613501 474130615 /nfs/dbraw/zinc/13/06/15/474130615.db2.gz CDSOTRUWXALVBA-KRWDZBQOSA-N 0 0 341.459 2.705 10 10 EFCERN Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c(O)c1O ZINC000182972846 474299183 /nfs/dbraw/zinc/29/91/83/474299183.db2.gz OQWCZFGJEPHZAF-NHYWBVRUSA-N 0 0 349.333 2.633 10 10 EFCERN Cc1ccc(OC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)nc1 ZINC000182986733 474302021 /nfs/dbraw/zinc/30/20/21/474302021.db2.gz PTKKFNUUBOJJJD-UHFFFAOYSA-N 0 0 342.395 2.793 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000271041414 474380636 /nfs/dbraw/zinc/38/06/36/474380636.db2.gz NBDOAYNGORVTJC-UHFFFAOYSA-N 0 0 332.360 2.719 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1COC(=O)N1 ZINC000283442942 474404610 /nfs/dbraw/zinc/40/46/10/474404610.db2.gz NJRHLTWUWGQTOW-CZUORRHYSA-N 0 0 340.379 2.590 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000271277543 474471637 /nfs/dbraw/zinc/47/16/37/474471637.db2.gz ASRGXCYPOQXQQS-UHFFFAOYSA-N 0 0 349.438 2.996 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ncn(C2CCCCC2)n1 ZINC000184551825 474545420 /nfs/dbraw/zinc/54/54/20/474545420.db2.gz XOJLUIDFNHSQMJ-UHFFFAOYSA-N 0 0 345.403 2.559 10 10 EFCERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](c2ccccc2)O1 ZINC000276571144 474566346 /nfs/dbraw/zinc/56/63/46/474566346.db2.gz KKNYCQKUTZTKDQ-XHDPSFHLSA-N 0 0 331.343 2.839 10 10 EFCERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2ccccc2)O1 ZINC000276571140 474566640 /nfs/dbraw/zinc/56/66/40/474566640.db2.gz KKNYCQKUTZTKDQ-ABAIWWIYSA-N 0 0 331.343 2.839 10 10 EFCERN COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000276759477 474570057 /nfs/dbraw/zinc/57/00/57/474570057.db2.gz MNPOMMXMCHFRHP-KRWDZBQOSA-N 0 0 332.375 2.601 10 10 EFCERN Cc1[nH]nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000267056140 474576983 /nfs/dbraw/zinc/57/69/83/474576983.db2.gz RWNGJYLZJRIXBA-HNNXBMFYSA-N 0 0 329.400 2.554 10 10 EFCERN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000284169701 474587705 /nfs/dbraw/zinc/58/77/05/474587705.db2.gz WWIZNRLJRZONTO-YPMHNXCESA-N 0 0 336.259 2.947 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000291005878 474590110 /nfs/dbraw/zinc/59/01/10/474590110.db2.gz UFZYPVUPOLEYGN-OAHLLOKOSA-N 0 0 343.393 2.738 10 10 EFCERN COC[C@@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000272501181 474614399 /nfs/dbraw/zinc/61/43/99/474614399.db2.gz PGULZKQTHSBEDK-LJQANCHMSA-N 0 0 330.428 2.611 10 10 EFCERN COc1cc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc(OC)c1 ZINC000272826153 474626159 /nfs/dbraw/zinc/62/61/59/474626159.db2.gz PGCVQZLEVBCVLV-UHFFFAOYSA-N 0 0 331.368 2.696 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cnc(OCC3CC3)cn2)cc1 ZINC000284417028 474636739 /nfs/dbraw/zinc/63/67/39/474636739.db2.gz XUGPNUCIVQTGQO-UHFFFAOYSA-N 0 0 340.427 2.604 10 10 EFCERN COc1ccc(N2CCN(Cc3ccc(F)nc3C)CC2)cc1F ZINC000278502437 474666568 /nfs/dbraw/zinc/66/65/68/474666568.db2.gz VSXXQPXRFHVZTK-UHFFFAOYSA-N 0 0 333.382 2.999 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700591 /nfs/dbraw/zinc/70/05/91/474700591.db2.gz AOHFAVDISHUWFG-IUODEOHRSA-N 0 0 346.387 2.589 10 10 EFCERN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)n(C)n1 ZINC000278584914 474720240 /nfs/dbraw/zinc/72/02/40/474720240.db2.gz YMFHATLRAAOXGI-ZFWWWQNUSA-N 0 0 332.423 2.893 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000273419081 474888903 /nfs/dbraw/zinc/88/89/03/474888903.db2.gz RTNBVAHKDCEQLO-LLVKDONJSA-N 0 0 333.359 2.661 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278914221 474912988 /nfs/dbraw/zinc/91/29/88/474912988.db2.gz WAQKJJAVYSORLF-ZDUSSCGKSA-N 0 0 333.428 2.772 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(c3ncc(F)cn3)CC2)c1O ZINC000273717193 475026006 /nfs/dbraw/zinc/02/60/06/475026006.db2.gz HNEHQMAYMRRAFC-UHFFFAOYSA-N 0 0 336.798 2.605 10 10 EFCERN COc1cc(NS(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1O ZINC000280493449 475029151 /nfs/dbraw/zinc/02/91/51/475029151.db2.gz BXNLNLUYNPUOGY-UHFFFAOYSA-N 0 0 337.397 2.827 10 10 EFCERN COc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(C)c1C ZINC000280580408 475034393 /nfs/dbraw/zinc/03/43/93/475034393.db2.gz MQCJYGAFLVXYGC-UHFFFAOYSA-N 0 0 337.397 2.827 10 10 EFCERN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293573885 475040311 /nfs/dbraw/zinc/04/03/11/475040311.db2.gz JEQLQVUWIAVJDX-PWSUYJOCSA-N 0 0 328.815 2.921 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1O ZINC000280677876 475043568 /nfs/dbraw/zinc/04/35/68/475043568.db2.gz ZCCZSBKQSHSTEN-SNVBAGLBSA-N 0 0 335.381 2.525 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000293744001 475050770 /nfs/dbraw/zinc/05/07/70/475050770.db2.gz XKVVRKIOSNTTMU-CJNGLKHVSA-N 0 0 339.794 2.759 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000293743997 475050968 /nfs/dbraw/zinc/05/09/68/475050968.db2.gz XKVVRKIOSNTTMU-BBRMVZONSA-N 0 0 339.794 2.759 10 10 EFCERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000280870447 475053644 /nfs/dbraw/zinc/05/36/44/475053644.db2.gz SUYGGWSIPXDNPP-GOSISDBHSA-N 0 0 327.380 2.808 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cnc4cnccc4c3)CC2)cc1 ZINC000280963890 475060042 /nfs/dbraw/zinc/06/00/42/475060042.db2.gz INWIJRWIIXHWSC-UHFFFAOYSA-N 0 0 348.406 2.601 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281027785 475064385 /nfs/dbraw/zinc/06/43/85/475064385.db2.gz ODWDPDMETUOING-GOSISDBHSA-N 0 0 341.459 2.923 10 10 EFCERN COc1cccc([C@@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913145 475067785 /nfs/dbraw/zinc/06/77/85/475067785.db2.gz ZMCQBWXJKHYIGZ-IBGZPJMESA-N 0 0 343.379 2.703 10 10 EFCERN Cc1cc(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)n[nH]1 ZINC000294518227 475069287 /nfs/dbraw/zinc/06/92/87/475069287.db2.gz CIWPHABEBPVVHB-UHFFFAOYSA-N 0 0 338.814 2.975 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC=C(c3ccnn3C)CC2)cc1OC ZINC000286612040 475072784 /nfs/dbraw/zinc/07/27/84/475072784.db2.gz QGQWXCHBTAHORR-UHFFFAOYSA-N 0 0 344.371 2.639 10 10 EFCERN CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000294604767 475074224 /nfs/dbraw/zinc/07/42/24/475074224.db2.gz WOLCFBRARUFHIP-PKOBYXMFSA-N 0 0 348.487 2.931 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1 ZINC000294948260 475094059 /nfs/dbraw/zinc/09/40/59/475094059.db2.gz ISZLTRRNMOKVMX-UHFFFAOYSA-N 0 0 335.429 2.850 10 10 EFCERN COC(=O)c1cnc(Sc2ncnc3c2ncn3C2CC2)s1 ZINC000294970092 475095153 /nfs/dbraw/zinc/09/51/53/475095153.db2.gz NZBXOWOUTRSJBD-UHFFFAOYSA-N 0 0 333.398 2.556 10 10 EFCERN COC[C@@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000294991606 475096466 /nfs/dbraw/zinc/09/64/66/475096466.db2.gz QLXJGTZMJPBNIP-UABRLCRWSA-N 0 0 334.372 2.644 10 10 EFCERN COC(=O)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 ZINC000295304795 475119247 /nfs/dbraw/zinc/11/92/47/475119247.db2.gz MPQSNRYIPCYCAA-UHFFFAOYSA-N 0 0 332.447 2.937 10 10 EFCERN CCCc1occc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281243572 475133834 /nfs/dbraw/zinc/13/38/34/475133834.db2.gz NIWLYPSNXPDLTN-UHFFFAOYSA-N 0 0 328.412 2.999 10 10 EFCERN COc1ccc(N2CCCN(c3nc([C@H](C)OC)ns3)CC2)cc1 ZINC000369211900 476399762 /nfs/dbraw/zinc/39/97/62/476399762.db2.gz BPMAZPQBAMEYOH-ZDUSSCGKSA-N 0 0 348.472 2.971 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000369376968 476412998 /nfs/dbraw/zinc/41/29/98/476412998.db2.gz CGBVDAOENOBLQY-UHFFFAOYSA-N 0 0 348.786 2.573 10 10 EFCERN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373587213 476416553 /nfs/dbraw/zinc/41/65/53/476416553.db2.gz WFLMQHTULHOZPY-KGLIPLIRSA-N 0 0 327.808 2.588 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000374122445 476454605 /nfs/dbraw/zinc/45/46/05/476454605.db2.gz QKWVDHSNNIRJKV-HWKANZROSA-N 0 0 346.383 2.788 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC(Oc3cnccn3)CC2)c1O ZINC000369721394 476493781 /nfs/dbraw/zinc/49/37/81/476493781.db2.gz DRSZVKBQKLLWMG-UHFFFAOYSA-N 0 0 345.374 2.567 10 10 EFCERN Cc1cc(Br)cc(CN2CC(F)(F)C[C@H]2CO)c1O ZINC000364664236 476539507 /nfs/dbraw/zinc/53/95/07/476539507.db2.gz VMIKDLOQJAKPOX-NSHDSACASA-N 0 0 336.176 2.665 10 10 EFCERN COc1cc(O)c(CNc2cccc3c2OCC[C@@H]3O)cc1OC ZINC000375096322 476675315 /nfs/dbraw/zinc/67/53/15/476675315.db2.gz FVFYYNROMLFOKP-AWEZNQCLSA-N 0 0 331.368 2.837 10 10 EFCERN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000378449753 476710359 /nfs/dbraw/zinc/71/03/59/476710359.db2.gz BBTVXMANWVVQJZ-HNNXBMFYSA-N 0 0 335.835 2.710 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000378537828 476719457 /nfs/dbraw/zinc/71/94/57/476719457.db2.gz KSNGCPKRQNKVAU-MNDMWVCDSA-N 0 0 325.364 2.791 10 10 EFCERN CCOc1ccc(O)c(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375266538 476747195 /nfs/dbraw/zinc/74/71/95/476747195.db2.gz MAZJQNKCZZVRLB-KRWDZBQOSA-N 0 0 345.443 2.715 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](c4ccco4)C3)cc2N1 ZINC000370537284 476860639 /nfs/dbraw/zinc/86/06/39/476860639.db2.gz CPJNGCNGLJTLIO-JTQLQIEISA-N 0 0 329.312 2.513 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000376472629 477351292 /nfs/dbraw/zinc/35/12/92/477351292.db2.gz PMSCKVFIOZBULK-SMDDNHRTSA-N 0 0 344.367 2.963 10 10 EFCERN C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC12CCC2 ZINC000376608213 477428081 /nfs/dbraw/zinc/42/80/81/477428081.db2.gz CRKWOSNUWBWYDX-NSHDSACASA-N 0 0 331.372 2.942 10 10 EFCERN C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC12CCC2 ZINC000376608212 477428423 /nfs/dbraw/zinc/42/84/23/477428423.db2.gz CRKWOSNUWBWYDX-LLVKDONJSA-N 0 0 331.372 2.942 10 10 EFCERN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376673131 477454622 /nfs/dbraw/zinc/45/46/22/477454622.db2.gz PTKQJCWAWXDHBX-WMLDXEAASA-N 0 0 341.835 2.824 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000371854864 477528642 /nfs/dbraw/zinc/52/86/42/477528642.db2.gz ZODDRPCLYLIVEZ-SMDDNHRTSA-N 0 0 338.835 2.545 10 10 EFCERN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(OC)ccc32)cn1 ZINC000494842658 478073116 /nfs/dbraw/zinc/07/31/16/478073116.db2.gz RPJQJUBFABESHD-UHFFFAOYSA-N 0 0 337.383 2.505 10 10 EFCERN Cc1ccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)c(O)c1O ZINC000527628076 478453668 /nfs/dbraw/zinc/45/36/68/478453668.db2.gz KXTORVNJZYJFOG-UHFFFAOYSA-N 0 0 327.384 2.518 10 10 EFCERN CCn1ncc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000527925598 478573311 /nfs/dbraw/zinc/57/33/11/478573311.db2.gz VKEQEVKXBDSQCN-MRVPVSSYSA-N 0 0 343.200 2.756 10 10 EFCERN CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000528213448 478684125 /nfs/dbraw/zinc/68/41/25/478684125.db2.gz OUZLUBIFGHOJTA-RISCZKNCSA-N 0 0 343.221 2.521 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528856684 478963497 /nfs/dbraw/zinc/96/34/97/478963497.db2.gz DMPUTLBNJYNFII-JEBQAFNWSA-N 0 0 343.810 2.996 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@]2(C)Br)c1 ZINC000528862403 478964044 /nfs/dbraw/zinc/96/40/44/478964044.db2.gz QIMBWINTNDUJDN-PSEJXSGSSA-N 0 0 328.206 2.752 10 10 EFCERN CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000529662550 479237338 /nfs/dbraw/zinc/23/73/38/479237338.db2.gz HKQJGVJJXWOCJL-UHFFFAOYSA-N 0 0 342.842 2.871 10 10 EFCERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@H]2CCCCN2c2ccccc21 ZINC000615384483 479667065 /nfs/dbraw/zinc/66/70/65/479667065.db2.gz PAUXLRMBMGUDDZ-CYBMUJFWSA-N 0 0 348.406 2.596 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCC34COC4)ccc21 ZINC000615927083 479787222 /nfs/dbraw/zinc/78/72/22/479787222.db2.gz IGOVEQHWSAVGAM-UHFFFAOYSA-N 0 0 328.412 2.519 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C(C)(C)O)CCCC1 ZINC000651423260 481770151 /nfs/dbraw/zinc/77/01/51/481770151.db2.gz GIWFJXHOOAYSKI-ZDUSSCGKSA-N 0 0 344.455 2.804 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)[C@H](C)O)CCCC1 ZINC000651625651 481878637 /nfs/dbraw/zinc/87/86/37/481878637.db2.gz MFGJXPCFMREDNX-ZDUSSCGKSA-N 0 0 344.455 2.804 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177535497 533721802 /nfs/dbraw/zinc/72/18/02/533721802.db2.gz VYFPXIYOGCKGGL-KRWDZBQOSA-N 0 0 335.411 2.951 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3cccnc3)CC2)cc1F ZINC000177275406 534011196 /nfs/dbraw/zinc/01/11/96/534011196.db2.gz UNJWAGKWQXTWQP-CQSZACIVSA-N 0 0 343.402 2.682 10 10 EFCERN C[C@H](O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000172549132 534049611 /nfs/dbraw/zinc/04/96/11/534049611.db2.gz BVOBKESIFVPFBN-HNNXBMFYSA-N 0 0 331.460 2.589 10 10 EFCERN Cc1ccn2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2n1 ZINC000068727554 534371118 /nfs/dbraw/zinc/37/11/18/534371118.db2.gz BGQOUACPFASFNI-UHFFFAOYSA-N 0 0 335.411 2.568 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cn(C)c(=O)cc2C)cc1 ZINC000177921408 528305588 /nfs/dbraw/zinc/30/55/88/528305588.db2.gz CVVKENRUKXOONY-UHFFFAOYSA-N 0 0 342.443 2.862 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000158440670 528786841 /nfs/dbraw/zinc/78/68/41/528786841.db2.gz XFXDVGOCIYGIFK-CQSZACIVSA-N 0 0 343.475 2.947 10 10 EFCERN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484059 535648313 /nfs/dbraw/zinc/64/83/13/535648313.db2.gz XFVQEDWOYFSYNW-CVEARBPZSA-N 0 0 343.826 2.937 10 10 EFCERN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566491 536153286 /nfs/dbraw/zinc/15/32/86/536153286.db2.gz AGYFSIOVQDEFKB-MAUKXSAKSA-N 0 0 337.391 2.504 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000366012242 536671659 /nfs/dbraw/zinc/67/16/59/536671659.db2.gz SXNHGQHMSLIZRQ-QGZVFWFLSA-N 0 0 348.487 2.921 10 10 EFCERN CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294200204 536748728 /nfs/dbraw/zinc/74/87/28/536748728.db2.gz BQWFQIBRDYSSQV-QFBILLFUSA-N 0 0 346.471 2.685 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C)nc3)CC2)cc1 ZINC000754009072 575375046 /nfs/dbraw/zinc/37/50/46/575375046.db2.gz HTFRHQKQAGCEDZ-BJMVGYQFSA-N 0 0 337.423 2.761 10 10 EFCERN Cc1cc(C(=O)NC2(CC(N)=O)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000754412306 575433147 /nfs/dbraw/zinc/43/31/47/575433147.db2.gz GYDHFEQOHLIETQ-UHFFFAOYSA-N 0 0 343.402 2.761 10 10 EFCERN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000755125308 575546882 /nfs/dbraw/zinc/54/68/82/575546882.db2.gz BPYVRGFVRWNJJY-INIZCTEOSA-N 0 0 349.450 2.850 10 10 EFCERN C[C@@H](NC(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccc(N(C)C)cc1 ZINC000755273586 575568998 /nfs/dbraw/zinc/56/89/98/575568998.db2.gz FBEYVGFEZPABPG-CYBMUJFWSA-N 0 0 340.427 2.682 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2cnn(C(C)C)c2)c2ccccc21 ZINC000755410187 575584235 /nfs/dbraw/zinc/58/42/35/575584235.db2.gz KXELWYOFGXJKTK-SXGWCWSVSA-N 0 0 339.395 2.914 10 10 EFCERN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392023 575729562 /nfs/dbraw/zinc/72/95/62/575729562.db2.gz GRLKSNMFCOEWJB-LBPRGKRZSA-N 0 0 339.355 2.732 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1[O-] ZINC000756431713 575738248 /nfs/dbraw/zinc/73/82/48/575738248.db2.gz PATAVVNGVGRJCE-AAEUAGOBSA-N 0 0 334.370 2.780 10 10 EFCERN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449136 575741440 /nfs/dbraw/zinc/74/14/40/575741440.db2.gz ITGKMFPDVFCISG-CDUCUWFYSA-N 0 0 346.118 2.868 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756608280 575767443 /nfs/dbraw/zinc/76/74/43/575767443.db2.gz AAZOAHQEYUMNHW-QWRGUYRKSA-N 0 0 332.404 2.933 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000756770278 575785468 /nfs/dbraw/zinc/78/54/68/575785468.db2.gz VVFWZZXINSJCKY-LBPRGKRZSA-N 0 0 341.411 2.740 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000756785174 575786624 /nfs/dbraw/zinc/78/66/24/575786624.db2.gz BJDJCPWGONUGHD-GFCCVEGCSA-N 0 0 345.443 2.813 10 10 EFCERN C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(F)cc1O ZINC000756866246 575794681 /nfs/dbraw/zinc/79/46/81/575794681.db2.gz YFENYECWSVSAJT-GFCCVEGCSA-N 0 0 346.406 2.960 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4c(F)cccc4C3)cc2N1 ZINC000756959636 575805728 /nfs/dbraw/zinc/80/57/28/575805728.db2.gz MPJBEZMBQNXKFU-UHFFFAOYSA-N 0 0 343.314 2.628 10 10 EFCERN CCOC(=O)c1sc([C@H](C)NC(=O)C2=CC(=O)CS2)nc1C ZINC000757422691 575839140 /nfs/dbraw/zinc/83/91/40/575839140.db2.gz RIFACAQNROCZMR-QMMMGPOBSA-N 0 0 340.426 2.886 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000757665666 575848677 /nfs/dbraw/zinc/84/86/77/575848677.db2.gz MYXJKZUZDZJGBF-CYBMUJFWSA-N 0 0 346.818 2.519 10 10 EFCERN O=C(Cn1cnc2c1CCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000757856210 575854671 /nfs/dbraw/zinc/85/46/71/575854671.db2.gz SGFPUVGGCDFLJV-UHFFFAOYSA-N 0 0 338.455 2.679 10 10 EFCERN CCC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000758287241 575865659 /nfs/dbraw/zinc/86/56/59/575865659.db2.gz ZVTJMJKQMJIEFD-IQCBXXCUSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CCC12CCOCC2 ZINC000758313344 575866362 /nfs/dbraw/zinc/86/63/62/575866362.db2.gz BUYXLGQIRJJFIQ-OAHLLOKOSA-N 0 0 331.460 2.853 10 10 EFCERN COC(=O)C[C@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000758388158 575868322 /nfs/dbraw/zinc/86/83/22/575868322.db2.gz WVJQWCHKPXJVQP-AWEZNQCLSA-N 0 0 342.439 2.952 10 10 EFCERN CCn1c(COC(=O)c2cccc(O)c2O)nc2cc(F)ccc21 ZINC000758571545 575873088 /nfs/dbraw/zinc/87/30/88/575873088.db2.gz GSCGAAKZGZIZAI-UHFFFAOYSA-N 0 0 330.315 2.964 10 10 EFCERN COc1cc2c(cc1C(=O)N(C)Cc1ccc(N(C)C)cc1)OCO2 ZINC000758972137 575881543 /nfs/dbraw/zinc/88/15/43/575881543.db2.gz BZDSANCPBVKNLI-UHFFFAOYSA-N 0 0 342.395 2.762 10 10 EFCERN CCC(CC)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000759171079 575886250 /nfs/dbraw/zinc/88/62/50/575886250.db2.gz DWFCVYFFOCFJIZ-UHFFFAOYSA-N 0 0 347.503 2.760 10 10 EFCERN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000759174538 575886307 /nfs/dbraw/zinc/88/63/07/575886307.db2.gz VPKDFGHTORODDD-KBPBESRZSA-N 0 0 344.249 2.747 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000759434626 575891624 /nfs/dbraw/zinc/89/16/24/575891624.db2.gz FPKCSCCIVQVCOE-KRWDZBQOSA-N 0 0 327.384 2.746 10 10 EFCERN O=C(NCc1ccccc1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000759608582 575908357 /nfs/dbraw/zinc/90/83/57/575908357.db2.gz NIOMINHMPREPHR-LJQANCHMSA-N 0 0 341.407 2.945 10 10 EFCERN Cc1cc(C(=O)Cn2cnccc2=O)c(C)n1-c1ccc(F)cc1 ZINC000760406214 576019544 /nfs/dbraw/zinc/01/95/44/576019544.db2.gz GRQKJNWVRVVGMC-UHFFFAOYSA-N 0 0 325.343 2.673 10 10 EFCERN CC=CC[C@@H]1NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761224134 576132351 /nfs/dbraw/zinc/13/23/51/576132351.db2.gz UEOLKWQZSTYSHI-IDOMTICXSA-N 0 0 343.427 2.551 10 10 EFCERN CC=CC[C@H]1NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761224136 576132384 /nfs/dbraw/zinc/13/23/84/576132384.db2.gz UEOLKWQZSTYSHI-REMYHPOOSA-N 0 0 343.427 2.551 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1CCCSc1nccs1 ZINC000761303392 576143542 /nfs/dbraw/zinc/14/35/42/576143542.db2.gz ZZSOITBVNQRECE-UTUOFQBUSA-N 0 0 337.470 2.688 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761361294 576151214 /nfs/dbraw/zinc/15/12/14/576151214.db2.gz LUTKRCXAWQRRRE-NXHRZFHOSA-N 0 0 337.423 2.626 10 10 EFCERN CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)N1C ZINC000761362397 576151527 /nfs/dbraw/zinc/15/15/27/576151527.db2.gz PHMOSRGCYXAHRV-KRWDZBQOSA-N 0 0 327.428 2.872 10 10 EFCERN CN1C(=O)C(=Cc2ccc(F)c(Cl)c2Cl)C(=O)N(C)C1=O ZINC000761374480 576152583 /nfs/dbraw/zinc/15/25/83/576152583.db2.gz APKZUXWFTJHCJT-UHFFFAOYSA-N 0 0 331.130 2.566 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000761581160 576183766 /nfs/dbraw/zinc/18/37/66/576183766.db2.gz WVAPCBLFQDAVDS-WNOSKKOXSA-N 0 0 327.428 2.876 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000761581159 576183826 /nfs/dbraw/zinc/18/38/26/576183826.db2.gz WVAPCBLFQDAVDS-UOJCXKCYSA-N 0 0 327.428 2.876 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000761927831 576230239 /nfs/dbraw/zinc/23/02/39/576230239.db2.gz MOEYVDBXBXULLN-UHFFFAOYSA-N 0 0 326.356 2.520 10 10 EFCERN C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000763198164 576366560 /nfs/dbraw/zinc/36/65/60/576366560.db2.gz QNDMGRYLNSSZTG-MRXNPFEDSA-N 0 0 343.471 2.997 10 10 EFCERN Cc1cnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(O)c1 ZINC000763257170 576369843 /nfs/dbraw/zinc/36/98/43/576369843.db2.gz CQWNMRMBMMKODP-OAHLLOKOSA-N 0 0 342.395 2.623 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000763374265 576374801 /nfs/dbraw/zinc/37/48/01/576374801.db2.gz AWNMAZQEHJXOIW-WMADIVHISA-N 0 0 334.372 2.785 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(CO)c2)c1 ZINC000764157004 576437313 /nfs/dbraw/zinc/43/73/13/576437313.db2.gz IYBOCZDGLDCHTH-CHWSQXEVSA-N 0 0 345.395 2.538 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2sc3nccn3c2C)c1 ZINC000764156934 576437342 /nfs/dbraw/zinc/43/73/42/576437342.db2.gz HVKKFRSDACRWKA-SECBINFHSA-N 0 0 331.397 2.909 10 10 EFCERN Cc1cc(CCNC(=O)C[C@H]2COC(=O)C2)c(C)n1-c1ccccc1 ZINC000764634740 576482797 /nfs/dbraw/zinc/48/27/97/576482797.db2.gz KHNAOSFBTVCRSR-MRXNPFEDSA-N 0 0 340.423 2.706 10 10 EFCERN CNC(=O)c1cccnc1NCc1cccc(Br)c1O ZINC000764935593 576526254 /nfs/dbraw/zinc/52/62/54/576526254.db2.gz ZBADJOSDOLPVES-UHFFFAOYSA-N 0 0 336.189 2.521 10 10 EFCERN O=C(NCCOCC1CCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000765270479 577025183 /nfs/dbraw/zinc/02/51/83/577025183.db2.gz KOZRBFWMZMBMDK-UHFFFAOYSA-N 0 0 329.444 2.679 10 10 EFCERN CCCN(CCC)c1ccc([C@H]2NC(=O)[C@H]3CSCCN32)cc1 ZINC000765511876 577049245 /nfs/dbraw/zinc/04/92/45/577049245.db2.gz CUMMZUNFFDJFOV-SJORKVTESA-N 0 0 333.501 2.859 10 10 EFCERN CCc1onc(C)c1C(=O)NCc1cccc(Br)c1O ZINC000765727861 577070978 /nfs/dbraw/zinc/07/09/78/577070978.db2.gz QAPZNCXDPRVUDQ-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN COC(=O)CCCCC(=O)NCc1cccc(Br)c1O ZINC000765730575 577071124 /nfs/dbraw/zinc/07/11/24/577071124.db2.gz DEVNMUVUXZHAMG-UHFFFAOYSA-N 0 0 344.205 2.504 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccn(C)n2)cc1 ZINC000765763283 577073653 /nfs/dbraw/zinc/07/36/53/577073653.db2.gz MULUUCBCYFKKDE-UHFFFAOYSA-N 0 0 329.448 2.608 10 10 EFCERN CNc1ncc(C(=O)NCc2cccc(Br)c2O)s1 ZINC000765943912 577090868 /nfs/dbraw/zinc/09/08/68/577090868.db2.gz MTBVGNIPBROFTB-UHFFFAOYSA-N 0 0 342.218 2.583 10 10 EFCERN CNC(=O)Cc1nc(CN2CCCCc3cc(OC)ccc32)cs1 ZINC000766270784 577129665 /nfs/dbraw/zinc/12/96/65/577129665.db2.gz TYDVJRXFAPANMO-UHFFFAOYSA-N 0 0 345.468 2.783 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000768251912 577263130 /nfs/dbraw/zinc/26/31/30/577263130.db2.gz BPJKHGQFCZAKIP-UHFFFAOYSA-N 0 0 334.460 2.871 10 10 EFCERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439115 577273529 /nfs/dbraw/zinc/27/35/29/577273529.db2.gz HSJJEEFBRHYUKZ-BTDLBPIBSA-N 0 0 342.351 2.677 10 10 EFCERN Oc1cc2c(cc1CN1CCc3ccc(F)c(F)c3C1)[C@@H](O)CO2 ZINC000768462497 577275643 /nfs/dbraw/zinc/27/56/43/577275643.db2.gz MAMUZWRMDNHKMM-INIZCTEOSA-N 0 0 333.334 2.655 10 10 EFCERN Cc1nc(N(C)C)nc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000768517806 577279862 /nfs/dbraw/zinc/27/98/62/577279862.db2.gz VCXHYQLNRSJFKF-UHFFFAOYSA-N 0 0 340.475 2.873 10 10 EFCERN COc1cc(N(C)Cc2ccc3c(c2)nnn3C)cc(OC)c1OC ZINC000768529932 577280938 /nfs/dbraw/zinc/28/09/38/577280938.db2.gz GPDGWNPCOISRQY-UHFFFAOYSA-N 0 0 342.399 2.631 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000768571859 577284646 /nfs/dbraw/zinc/28/46/46/577284646.db2.gz WKSZQHOZTSBWIE-UHFFFAOYSA-N 0 0 330.359 2.608 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737955850 577328336 /nfs/dbraw/zinc/32/83/36/577328336.db2.gz XTAGDGWTHGAJCZ-MRXNPFEDSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737955842 577328344 /nfs/dbraw/zinc/32/83/44/577328344.db2.gz XTAGDGWTHGAJCZ-INIZCTEOSA-N 0 0 339.439 2.753 10 10 EFCERN C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000726238333 577357277 /nfs/dbraw/zinc/35/72/77/577357277.db2.gz VPQWRNJNUIAXDN-MRXNPFEDSA-N 0 0 343.427 2.791 10 10 EFCERN CCOc1ccc(O)c(CN(C)CC(=O)NCc2ccccc2)c1 ZINC000769465795 577364164 /nfs/dbraw/zinc/36/41/64/577364164.db2.gz CWXIDRXUWLYEHQ-UHFFFAOYSA-N 0 0 328.412 2.539 10 10 EFCERN CCOc1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770350478 577412262 /nfs/dbraw/zinc/41/22/62/577412262.db2.gz HLCUBSRXFRMXPS-MAUKXSAKSA-N 0 0 347.411 2.708 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nc[nH]n2)cc1 ZINC000771232533 581190732 /nfs/dbraw/zinc/19/07/32/581190732.db2.gz FELVYXBDCVVXCU-UHFFFAOYSA-N 0 0 349.394 2.561 10 10 EFCERN Cc1cc(NC(=O)N(C)Cc2ccccc2O)n(C2CCOCC2)n1 ZINC000771513169 581219821 /nfs/dbraw/zinc/21/98/21/581219821.db2.gz YQDKKSCIXGRVNG-UHFFFAOYSA-N 0 0 344.415 2.913 10 10 EFCERN CC(C)[C@H]1C[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000772503392 581331252 /nfs/dbraw/zinc/33/12/52/581331252.db2.gz VYLLYRYJSNMJJA-IAGOWNOFSA-N 0 0 332.444 2.546 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000772599071 581345493 /nfs/dbraw/zinc/34/54/93/581345493.db2.gz MOBWQSCSUCPPAZ-UHFFFAOYSA-N 0 0 342.351 2.937 10 10 EFCERN CCN(C[C@@H]1CCOC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000772897639 581379328 /nfs/dbraw/zinc/37/93/28/581379328.db2.gz KOZBXZLODBDLFJ-DYLGSBMWSA-N 0 0 334.372 2.644 10 10 EFCERN Cn1cnc2c1ncnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773254157 581410420 /nfs/dbraw/zinc/41/04/20/581410420.db2.gz JYVUXBWIAPELDL-UHFFFAOYSA-N 0 0 326.791 2.705 10 10 EFCERN C[C@H](NC(=O)NCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773613314 581450543 /nfs/dbraw/zinc/45/05/43/581450543.db2.gz PUZFROWSARUADO-AWEZNQCLSA-N 0 0 346.475 2.562 10 10 EFCERN C[C@@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773621442 581451407 /nfs/dbraw/zinc/45/14/07/581451407.db2.gz YXDCICXDXJOUCO-ABAIWWIYSA-N 0 0 345.365 2.522 10 10 EFCERN COc1ccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773740829 581460338 /nfs/dbraw/zinc/46/03/38/581460338.db2.gz UBJSJANMLCMGSE-CHWSQXEVSA-N 0 0 345.395 2.621 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)c1cccc(F)c1 ZINC000773761521 581462716 /nfs/dbraw/zinc/46/27/16/581462716.db2.gz IBCUJWQYTWGTJN-LBPRGKRZSA-N 0 0 345.370 2.947 10 10 EFCERN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1c(C)noc1C ZINC000773760839 581462719 /nfs/dbraw/zinc/46/27/19/581462719.db2.gz LZEORMNVGMDFEM-IINYFYTJSA-N 0 0 332.400 2.944 10 10 EFCERN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000733780235 1265415281 /nfs/dbraw/zinc/41/52/81/1265415281.db2.gz PUGUCHRUWHWZCY-GIDUJCDVSA-N 0 0 341.392 2.962 10 10 EFCERN CC(C)(C)OC(=O)CN1CC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850002208 1250217590 /nfs/dbraw/zinc/21/75/90/1250217590.db2.gz WIRSRYBQCSBSFN-QMMMGPOBSA-N 0 0 348.877 2.831 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850378739 1250456091 /nfs/dbraw/zinc/45/60/91/1250456091.db2.gz RCVMHVXKFJEMIY-YPMHNXCESA-N 0 0 348.733 2.858 10 10 EFCERN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000850383332 1250456901 /nfs/dbraw/zinc/45/69/01/1250456901.db2.gz BOSHMNZJIYUYRI-BBRMVZONSA-N 0 0 330.388 2.535 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388258 1250460106 /nfs/dbraw/zinc/46/01/06/1250460106.db2.gz KGVQTKKNLTZYKY-QWHCGFSZSA-N 0 0 326.234 2.856 10 10 EFCERN C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000850485481 1250502415 /nfs/dbraw/zinc/50/24/15/1250502415.db2.gz JUSKPKZXJXXJOD-NSHDSACASA-N 0 0 331.865 2.911 10 10 EFCERN C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000850500746 1250510581 /nfs/dbraw/zinc/51/05/81/1250510581.db2.gz IZUXSRXSLCMHCJ-BONVTDFDSA-N 0 0 332.350 2.909 10 10 EFCERN Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2F)CC2CC2)cc1 ZINC000850852531 1250648266 /nfs/dbraw/zinc/64/82/66/1250648266.db2.gz UZZYQZKESYOBLU-UHFFFAOYSA-N 0 0 341.386 2.785 10 10 EFCERN CCc1nnc([C@@H](C)N2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732817 1251230057 /nfs/dbraw/zinc/23/00/57/1251230057.db2.gz CVOOEYWQSTTXTG-CQSZACIVSA-N 0 0 329.448 2.649 10 10 EFCERN COc1ccc(CNC(=O)c2c(C(F)F)nc3ccccn32)c(O)c1 ZINC001626079919 1265907777 /nfs/dbraw/zinc/90/77/77/1265907777.db2.gz PGIMCYCAIIMEHI-UHFFFAOYSA-N 0 0 347.321 2.916 10 10 EFCERN COC(=O)C(C)(C)CN(CC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000921578665 1257483755 /nfs/dbraw/zinc/48/37/55/1257483755.db2.gz MFUWYDVTNRVEMJ-VQHVLOKHSA-N 0 0 349.427 2.795 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C3CC3)CCC2)cc1 ZINC000923331022 1261468245 /nfs/dbraw/zinc/46/82/45/1261468245.db2.gz AFPIQVRSLFEULS-UHFFFAOYSA-N 0 0 344.455 2.835 10 10 EFCERN O=C(NCCC1CC=CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000923336854 1261495679 /nfs/dbraw/zinc/49/56/79/1261495679.db2.gz MIXHNOPGBOCKMP-UHFFFAOYSA-N 0 0 343.471 2.803 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@]34C[C@H]3COC4)c2C)cc1 ZINC000923366583 1261560616 /nfs/dbraw/zinc/56/06/16/1261560616.db2.gz NFTFVXHOSDLOAE-LIRRHRJNSA-N 0 0 326.396 2.621 10 10 EFCERN C[C@]1(CNC(=O)NCc2c(O)cccc2F)COc2ccccc2O1 ZINC000923388270 1261596969 /nfs/dbraw/zinc/59/69/69/1261596969.db2.gz HNLXLAQGMOILHJ-SFHVURJKSA-N 0 0 346.358 2.561 10 10 EFCERN Cc1cccc2c1C[C@H](NC(=O)NCc1c(O)cccc1F)CO2 ZINC000923399098 1261608443 /nfs/dbraw/zinc/60/84/43/1261608443.db2.gz NZJQFBKHXNFKMR-LBPRGKRZSA-N 0 0 330.359 2.643 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C\c1scnc1C ZINC001128177259 1263220262 /nfs/dbraw/zinc/22/02/62/1263220262.db2.gz BCDLVVLCQBOSBX-HJWRWDBZSA-N 0 0 346.408 2.923 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)NCc3c(O)ccc4c3CCCC4)c2C1 ZINC000843830517 1263257110 /nfs/dbraw/zinc/25/71/10/1263257110.db2.gz HIZNCUNVTZDRNI-ZDUSSCGKSA-N 0 0 339.439 2.980 10 10 EFCERN C[NH+](C)C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000715738035 1263883151 /nfs/dbraw/zinc/88/31/51/1263883151.db2.gz PVDGJGZBLHIPPQ-LBPRGKRZSA-N 0 0 331.229 2.820 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824653611 1278217069 /nfs/dbraw/zinc/21/70/69/1278217069.db2.gz CNOJZKOGMVYUQJ-GYSYKLTISA-N 0 0 329.799 2.547 10 10 EFCERN C[C@H](NC(=O)N[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000922055230 1264229636 /nfs/dbraw/zinc/22/96/36/1264229636.db2.gz NUOILGYUOKCIDK-ZUEVXXBESA-N 0 0 329.444 2.824 10 10 EFCERN CCCN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000715771154 1264942014 /nfs/dbraw/zinc/94/20/14/1264942014.db2.gz SRLYVIISGOQPMZ-LBPRGKRZSA-N 0 0 331.229 2.868 10 10 EFCERN CO[C@@H](CNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000922668140 1266555588 /nfs/dbraw/zinc/55/55/88/1266555588.db2.gz CMAQDTHPYJPMOV-CQSZACIVSA-N 0 0 332.375 2.588 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922677929 1266583084 /nfs/dbraw/zinc/58/30/84/1266583084.db2.gz INHOJSUXGBJGEI-WCQYABFASA-N 0 0 334.294 2.890 10 10 EFCERN CCOC(=O)[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC001626085281 1266810710 /nfs/dbraw/zinc/81/07/10/1266810710.db2.gz FVFPNGHMACLWOP-QGZVFWFLSA-N 0 0 334.460 2.984 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799784 1278290321 /nfs/dbraw/zinc/29/03/21/1278290321.db2.gz QYPUQGQTUHJULA-SWLSCSKDSA-N 0 0 338.404 2.850 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000734426089 1266969366 /nfs/dbraw/zinc/96/93/66/1266969366.db2.gz JMDUIPYZQIGAGD-INIZCTEOSA-N 0 0 339.439 2.728 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000734468180 1266975841 /nfs/dbraw/zinc/97/58/41/1266975841.db2.gz PFOHALLRFBDWFJ-UHFFFAOYSA-N 0 0 335.407 2.833 10 10 EFCERN Cn1nnnc1CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734485191 1266989130 /nfs/dbraw/zinc/98/91/30/1266989130.db2.gz CNBCXZSXYGIVAX-UHFFFAOYSA-N 0 0 335.411 2.742 10 10 EFCERN Oc1cc(Br)ccc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000824855423 1278315923 /nfs/dbraw/zinc/31/59/23/1278315923.db2.gz KAWWCVMWHKRDPM-LLVKDONJSA-N 0 0 340.139 2.654 10 10 EFCERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824858261 1278317488 /nfs/dbraw/zinc/31/74/88/1278317488.db2.gz BLLDJQZQRCLBOV-YYIAUSFCSA-N 0 0 330.428 2.881 10 10 EFCERN COc1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825117596 1278418314 /nfs/dbraw/zinc/41/83/14/1278418314.db2.gz HXQAOXJTEYCHJN-GFCCVEGCSA-N 0 0 332.366 2.717 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000825124158 1278419943 /nfs/dbraw/zinc/41/99/43/1278419943.db2.gz IXOGEWJXWIGUSY-GFCCVEGCSA-N 0 0 332.366 2.717 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3nccn3c2)c1 ZINC000738949897 1268583655 /nfs/dbraw/zinc/58/36/55/1268583655.db2.gz DHMIKRYTMJQHBU-LLVKDONJSA-N 0 0 326.356 2.931 10 10 EFCERN CCn1ncc(C)c1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000825138539 1278426087 /nfs/dbraw/zinc/42/60/87/1278426087.db2.gz PBJRMZXGGUJSQH-CQSZACIVSA-N 0 0 343.431 2.620 10 10 EFCERN CCc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000740463102 1268957875 /nfs/dbraw/zinc/95/78/75/1268957875.db2.gz HTTGIEGXCJQZFX-UHFFFAOYSA-N 0 0 344.415 2.738 10 10 EFCERN O=S1(=O)CCN(Cc2ccc(N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000825200829 1278459910 /nfs/dbraw/zinc/45/99/10/1278459910.db2.gz GYPIDNYLROMWGJ-RBUKOAKNSA-N 0 0 348.512 2.828 10 10 EFCERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O ZINC000825200834 1278460115 /nfs/dbraw/zinc/46/01/15/1278460115.db2.gz GZHPQWMJTGORLI-ZIAGYGMSSA-N 0 0 329.849 2.506 10 10 EFCERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O ZINC000825200833 1278461564 /nfs/dbraw/zinc/46/15/64/1278461564.db2.gz GZHPQWMJTGORLI-UONOGXRCSA-N 0 0 329.849 2.506 10 10 EFCERN CCN1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1=O ZINC000791984848 1278476266 /nfs/dbraw/zinc/47/62/66/1278476266.db2.gz BJJBBGHWJDWHBS-UHFFFAOYSA-N 0 0 325.412 2.664 10 10 EFCERN COC(=O)c1coc(/C=C/C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001128704329 1269639738 /nfs/dbraw/zinc/63/97/38/1269639738.db2.gz GVXVHYYQNNXMTL-GORDUTHDSA-N 0 0 347.714 2.908 10 10 EFCERN Cc1cc(CCNC(=O)c2nnn(C)c2C)c(C)n1-c1ccccc1 ZINC000741665929 1269646076 /nfs/dbraw/zinc/64/60/76/1269646076.db2.gz ROXOIPYMOMJNGU-UHFFFAOYSA-N 0 0 337.427 2.504 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000825327478 1278507549 /nfs/dbraw/zinc/50/75/49/1278507549.db2.gz XZFJUIDPMRWTSV-UHFFFAOYSA-N 0 0 339.395 2.684 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C)[C@H](C)C3)c2C)cc1 ZINC000742195676 1269929317 /nfs/dbraw/zinc/92/93/17/1269929317.db2.gz HNFOLPVZYAYHSO-OAHLLOKOSA-N 0 0 341.455 2.879 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000825425921 1278547427 /nfs/dbraw/zinc/54/74/27/1278547427.db2.gz OWPPLQMQJXBASL-BEFAXECRSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000825425922 1278547883 /nfs/dbraw/zinc/54/78/83/1278547883.db2.gz OWPPLQMQJXBASL-DNVCBOLYSA-N 0 0 346.471 2.985 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cn(C2CCC2)nn1 ZINC000843833229 1278600022 /nfs/dbraw/zinc/60/00/22/1278600022.db2.gz ZPNBSOYJNAHFQE-UHFFFAOYSA-N 0 0 326.400 2.518 10 10 EFCERN CCOC(=O)C1CCC(CC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000843875248 1278626678 /nfs/dbraw/zinc/62/66/78/1278626678.db2.gz YGCGPKUEDWJWAS-UHFFFAOYSA-N 0 0 349.427 2.777 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C3CCC(=O)CC3)CC2)cc1 ZINC000746017554 1271724431 /nfs/dbraw/zinc/72/44/31/1271724431.db2.gz UJHFIKHUBUHSEW-UHFFFAOYSA-N 0 0 330.428 2.540 10 10 EFCERN Cc1cc(CCNC(=O)[C@@H]2CSC(=O)N2)c(C)n1-c1ccccc1 ZINC000746106721 1271786829 /nfs/dbraw/zinc/78/68/29/1271786829.db2.gz XIIVVAJMLBQAFJ-INIZCTEOSA-N 0 0 343.452 2.578 10 10 EFCERN CN(C)c1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)ns1 ZINC000746448838 1272282594 /nfs/dbraw/zinc/28/25/94/1272282594.db2.gz FGTBTPMOQXUFCT-UHFFFAOYSA-N 0 0 331.489 2.835 10 10 EFCERN Cc1c[nH]c(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1 ZINC001168844040 1272425958 /nfs/dbraw/zinc/42/59/58/1272425958.db2.gz WIKBJZYYQLQXJC-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000798073749 1272987060 /nfs/dbraw/zinc/98/70/60/1272987060.db2.gz NRCGNXWIBMZPDQ-IMJJTQAJSA-N 0 0 347.459 2.845 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000798073748 1272987473 /nfs/dbraw/zinc/98/74/73/1272987473.db2.gz NRCGNXWIBMZPDQ-BMFZPTHFSA-N 0 0 347.459 2.845 10 10 EFCERN C[N@@H+]1CCCC12CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000844214850 1278816315 /nfs/dbraw/zinc/81/63/15/1278816315.db2.gz WHORLHQDZPFNBK-GQCTYLIASA-N 0 0 345.399 2.757 10 10 EFCERN COc1ccc(N(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000844353191 1278922741 /nfs/dbraw/zinc/92/27/41/1278922741.db2.gz QLOTUCVJVLIUBL-GFCCVEGCSA-N 0 0 330.350 2.932 10 10 EFCERN COCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CCOC1 ZINC000786445377 1275401772 /nfs/dbraw/zinc/40/17/72/1275401772.db2.gz DDKWBQJDJHMNHO-LJQANCHMSA-N 0 0 342.439 2.972 10 10 EFCERN CSc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000786576619 1275433715 /nfs/dbraw/zinc/43/37/15/1275433715.db2.gz WGYGOTAOJQOMPB-UHFFFAOYSA-N 0 0 334.420 2.786 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000786710350 1275482204 /nfs/dbraw/zinc/48/22/04/1275482204.db2.gz ZSHXNQKQXNDLPV-UHFFFAOYSA-N 0 0 340.349 2.784 10 10 EFCERN Cc1sccc1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000786816026 1275552079 /nfs/dbraw/zinc/55/20/79/1275552079.db2.gz AGMBJNMQACGJGF-UHFFFAOYSA-N 0 0 330.453 2.752 10 10 EFCERN Cc1cc(CCNC(=O)NCCCCO)c(C)n1-c1ccccc1 ZINC000786879730 1275561096 /nfs/dbraw/zinc/56/10/96/1275561096.db2.gz PADOXOWPBQEMPR-UHFFFAOYSA-N 0 0 329.444 2.708 10 10 EFCERN C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000786944531 1275601292 /nfs/dbraw/zinc/60/12/92/1275601292.db2.gz GFALXHUXTGBCFM-QMMMGPOBSA-N 0 0 338.256 2.784 10 10 EFCERN COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])[C@H]1C ZINC000787420952 1275770711 /nfs/dbraw/zinc/77/07/11/1275770711.db2.gz NJASYTGQRPQJRX-CMPLNLGQSA-N 0 0 342.233 2.847 10 10 EFCERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000787405112 1275777181 /nfs/dbraw/zinc/77/71/81/1275777181.db2.gz DLTBMMUODHIEEC-CUSZFKRNSA-N 0 0 330.428 2.881 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](OC)c2ccc(O)cc2)c1 ZINC000787445279 1275780840 /nfs/dbraw/zinc/78/08/40/1275780840.db2.gz KQWFVRHZKLYUKY-DIFFPNOSSA-N 0 0 331.368 2.671 10 10 EFCERN Cc1cc(CCNC(=O)N2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC000788314118 1276143609 /nfs/dbraw/zinc/14/36/09/1276143609.db2.gz ZBVQHXHKYMWWGX-KUHUBIRLSA-N 0 0 341.455 2.801 10 10 EFCERN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCCO1 ZINC000788533002 1276223085 /nfs/dbraw/zinc/22/30/85/1276223085.db2.gz BWCNQCFOGKBERL-KBPBESRZSA-N 0 0 344.249 2.747 10 10 EFCERN CC[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCO1 ZINC000817776481 1276297140 /nfs/dbraw/zinc/29/71/40/1276297140.db2.gz KDFYUAWVGNAZPU-RYUDHWBXSA-N 0 0 329.491 2.882 10 10 EFCERN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969702 1276411260 /nfs/dbraw/zinc/41/12/60/1276411260.db2.gz YFOFFGCUZGKGNC-MWODSPESSA-N 0 0 331.229 2.942 10 10 EFCERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788931889 1276421127 /nfs/dbraw/zinc/42/11/27/1276421127.db2.gz IQHTYFIWNRJUDT-HOTGVXAUSA-N 0 0 343.471 2.550 10 10 EFCERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788931891 1276421165 /nfs/dbraw/zinc/42/11/65/1276421165.db2.gz IQHTYFIWNRJUDT-JKSUJKDBSA-N 0 0 343.471 2.550 10 10 EFCERN COc1nn(C)cc1NCc1cc(C)cc(Br)c1O ZINC000788972169 1276421699 /nfs/dbraw/zinc/42/16/99/1276421699.db2.gz WMKPLXHYMITGJA-UHFFFAOYSA-N 0 0 326.194 2.817 10 10 EFCERN Nc1ccc(Cc2nc(C(=O)N3CCCSCC3)cs2)cc1 ZINC000817984763 1276422267 /nfs/dbraw/zinc/42/22/67/1276422267.db2.gz ZIENMNOFMNJKCT-UHFFFAOYSA-N 0 0 333.482 2.895 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1O ZINC000818330153 1276507234 /nfs/dbraw/zinc/50/72/34/1276507234.db2.gz OMTYACCXJBAAMC-OTYXRUKQSA-N 0 0 325.792 2.933 10 10 EFCERN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818361535 1276519446 /nfs/dbraw/zinc/51/94/46/1276519446.db2.gz KWIUPWUIIRQTLK-RYUDHWBXSA-N 0 0 345.226 2.887 10 10 EFCERN Oc1cccc(Br)c1CNCc1noc2c1COCC2 ZINC000923014520 1276525112 /nfs/dbraw/zinc/52/51/12/1276525112.db2.gz HXSJQRFMHOGWHS-UHFFFAOYSA-N 0 0 339.189 2.505 10 10 EFCERN C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631677 1276541744 /nfs/dbraw/zinc/54/17/44/1276541744.db2.gz MPEVWRJUQVYKSP-ZANVPECISA-N 0 0 328.206 2.840 10 10 EFCERN COc1cc(C)c(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1C ZINC000819007610 1276569917 /nfs/dbraw/zinc/56/99/17/1276569917.db2.gz ATMYEWNFMFXMSH-UHFFFAOYSA-N 0 0 340.379 2.986 10 10 EFCERN O=c1[nH]ccc2cc(NNC(=S)Nc3ccc(F)cc3)ccc21 ZINC000789318535 1276653026 /nfs/dbraw/zinc/65/30/26/1276653026.db2.gz DGERVEKPLDCFTM-UHFFFAOYSA-N 0 0 328.372 2.981 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC12CCSCC2 ZINC000819172521 1276655663 /nfs/dbraw/zinc/65/56/63/1276655663.db2.gz YZJTYEXHXZCPRZ-AWEZNQCLSA-N 0 0 346.452 2.690 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(F)=C1CCC1 ZINC000819302319 1276710445 /nfs/dbraw/zinc/71/04/45/1276710445.db2.gz PGZLDHQHRCARNA-UHFFFAOYSA-N 0 0 332.419 2.919 10 10 EFCERN CCOc1ccccc1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000819392675 1276746764 /nfs/dbraw/zinc/74/67/64/1276746764.db2.gz QIKPUWQFXFKLQF-CYBMUJFWSA-N 0 0 331.368 2.666 10 10 EFCERN O=C(/C=C/[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000819419542 1276780243 /nfs/dbraw/zinc/78/02/43/1276780243.db2.gz HAPJDGUPFDMCMA-YXWZHEERSA-N 0 0 331.412 2.635 10 10 EFCERN Cc1cc(C(=O)N2CC3(C2)CCOCC3)c(C)n1-c1ccccn1 ZINC000819462767 1276799875 /nfs/dbraw/zinc/79/98/75/1276799875.db2.gz AMKUXTSMZBOTRO-UHFFFAOYSA-N 0 0 325.412 2.742 10 10 EFCERN COC(=O)[C@@H](NCc1cc(C)cc(Br)c1O)C1CC1 ZINC000789573257 1276819803 /nfs/dbraw/zinc/81/98/03/1276819803.db2.gz IKJHCKVFVIRDCW-LBPRGKRZSA-N 0 0 328.206 2.504 10 10 EFCERN CCc1onc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819588478 1276832427 /nfs/dbraw/zinc/83/24/27/1276832427.db2.gz MTWWDVVTPTXKKZ-AWEZNQCLSA-N 0 0 343.427 2.810 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000819591490 1276833860 /nfs/dbraw/zinc/83/38/60/1276833860.db2.gz SLEJMDLKHKKDQM-MNEFBYGVSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000819591489 1276834127 /nfs/dbraw/zinc/83/41/27/1276834127.db2.gz SLEJMDLKHKKDQM-LZQZEXGQSA-N 0 0 346.471 2.843 10 10 EFCERN O=C(NCc1cc(NC(=O)C2CC=CC2)ccc1O)C1CC=CC1 ZINC000923118400 1276848454 /nfs/dbraw/zinc/84/84/54/1276848454.db2.gz CUSMFYLERAAVAG-UHFFFAOYSA-N 0 0 326.396 2.879 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000819680703 1276875190 /nfs/dbraw/zinc/87/51/90/1276875190.db2.gz GNQULUOZHCZOPC-SMDDNHRTSA-N 0 0 349.427 2.989 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000819680702 1276875206 /nfs/dbraw/zinc/87/52/06/1276875206.db2.gz GNQULUOZHCZOPC-RISCZKNCSA-N 0 0 349.427 2.989 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000819699630 1276878125 /nfs/dbraw/zinc/87/81/25/1276878125.db2.gz HXIBUTTWAUUTIE-IIAWOOMASA-N 0 0 331.412 2.720 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1n[nH]c2c1CCCCC2 ZINC000819760561 1276913223 /nfs/dbraw/zinc/91/32/23/1276913223.db2.gz FVNJTJQESMYBRO-UHFFFAOYSA-N 0 0 334.416 2.800 10 10 EFCERN CC(=O)N1CC[C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000819887430 1276936289 /nfs/dbraw/zinc/93/62/89/1276936289.db2.gz OBSGGUPUZRXCGQ-HNNXBMFYSA-N 0 0 345.468 2.754 10 10 EFCERN CC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(C)c1 ZINC001136278633 1276939904 /nfs/dbraw/zinc/93/99/04/1276939904.db2.gz AYZHORXHGAAFAK-OAHLLOKOSA-N 0 0 329.396 2.923 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000820005303 1276967419 /nfs/dbraw/zinc/96/74/19/1276967419.db2.gz ORCPEWYEQFVCIH-XJKSGUPXSA-N 0 0 342.447 2.582 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000819995411 1276986753 /nfs/dbraw/zinc/98/67/53/1276986753.db2.gz ATPGGOAZUVLVJG-JSGCOSHPSA-N 0 0 329.404 2.611 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000789819881 1277036962 /nfs/dbraw/zinc/03/69/62/1277036962.db2.gz XVWBBXDZEMKNOW-UHFFFAOYSA-N 0 0 337.383 2.696 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N(C)C)nc2)c1 ZINC000103572231 1279088322 /nfs/dbraw/zinc/08/83/22/1279088322.db2.gz CHGOPGXKSXJFDN-NSHDSACASA-N 0 0 330.388 2.745 10 10 EFCERN Cc1cc([C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)CCO2)ccc1F ZINC000789995655 1277154175 /nfs/dbraw/zinc/15/41/75/1277154175.db2.gz QRJYYTYYRFCCLF-HNNXBMFYSA-N 0 0 349.333 2.898 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3c(C)noc3C)C2)cc1 ZINC000820698789 1277282961 /nfs/dbraw/zinc/28/29/61/1277282961.db2.gz GNLBRQKRORPUKQ-CYBMUJFWSA-N 0 0 330.388 2.700 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c(O)c1O ZINC000790161339 1277303659 /nfs/dbraw/zinc/30/36/59/1277303659.db2.gz JLHBKYZXMIIHGP-UHFFFAOYSA-N 0 0 344.367 2.545 10 10 EFCERN CSc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1C ZINC000790291887 1277399741 /nfs/dbraw/zinc/39/97/41/1277399741.db2.gz YOEYZDOISWLOEQ-UHFFFAOYSA-N 0 0 330.457 2.672 10 10 EFCERN CCCn1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000821420482 1277545407 /nfs/dbraw/zinc/54/54/07/1277545407.db2.gz BWDCONBHJVIEOG-CQSZACIVSA-N 0 0 343.431 2.702 10 10 EFCERN COc1cc(CN2CCO[C@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462581 1277547565 /nfs/dbraw/zinc/54/75/65/1277547565.db2.gz WMOIZCUZYCKSJC-SFHVURJKSA-N 0 0 343.423 2.989 10 10 EFCERN COc1cc(C)cc(CN2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000790467291 1277610314 /nfs/dbraw/zinc/61/03/14/1277610314.db2.gz NYLIYPBBTZCIII-GOSISDBHSA-N 0 0 343.423 2.989 10 10 EFCERN O=C(OCc1ncccn1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000791266221 1278010577 /nfs/dbraw/zinc/01/05/77/1278010577.db2.gz LZCZXSLPVXKVBA-UHFFFAOYSA-N 0 0 344.326 2.609 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(C)(C)c2c[nH]cn2)cc1F ZINC000791361977 1278068592 /nfs/dbraw/zinc/06/85/92/1278068592.db2.gz YMVLFWYJRFKZPZ-UHFFFAOYSA-N 0 0 332.423 2.989 10 10 EFCERN CC(C)c1noc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001144065222 1279079241 /nfs/dbraw/zinc/07/92/41/1279079241.db2.gz GAMQUULCHZMMPX-UHFFFAOYSA-N 0 0 347.396 2.791 10 10 EFCERN O=C(c1cccc(O)c1O)N1CC(O)(c2cccc3ccccc32)C1 ZINC001144145597 1279159393 /nfs/dbraw/zinc/15/93/93/1279159393.db2.gz CHRPNDBHWGKXOB-UHFFFAOYSA-N 0 0 335.359 2.595 10 10 EFCERN COCc1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000844707092 1279188943 /nfs/dbraw/zinc/18/89/43/1279188943.db2.gz IBMJQYDNFJPMBV-UHFFFAOYSA-N 0 0 331.391 2.816 10 10 EFCERN COCc1ccnc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000844836200 1279263936 /nfs/dbraw/zinc/26/39/36/1279263936.db2.gz VJOHAEYUPWCJBE-UHFFFAOYSA-N 0 0 340.427 2.932 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CCOCC2)cc1 ZINC000844854848 1279286907 /nfs/dbraw/zinc/28/69/07/1279286907.db2.gz PASWBEOSRMSQGR-HNNXBMFYSA-N 0 0 334.460 2.653 10 10 EFCERN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844887478 1279316755 /nfs/dbraw/zinc/31/67/55/1279316755.db2.gz GZOCORWJHDFZBG-QAPCUYQASA-N 0 0 333.476 2.883 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCCCO1 ZINC000844890041 1279319242 /nfs/dbraw/zinc/31/92/42/1279319242.db2.gz SSPVJSHFSLKWFM-UHFFFAOYSA-N 0 0 335.473 2.867 10 10 EFCERN C[C@H]1[C@H](C(F)(F)F)CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000795192533 1287340679 /nfs/dbraw/zinc/34/06/79/1287340679.db2.gz LLKDLNYSFSWUAQ-JGVFFNPUSA-N 0 0 345.277 2.703 10 10 EFCERN COc1ccc(CNC(=O)NCc2cc(F)ccc2OC)c(O)c1 ZINC000793063402 1279350916 /nfs/dbraw/zinc/35/09/16/1279350916.db2.gz OQPZYAFLXSQIFV-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000845352356 1279583043 /nfs/dbraw/zinc/58/30/43/1279583043.db2.gz JVONRRABTKQSDT-UHFFFAOYSA-N 0 0 343.173 2.551 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H]1n1cccn1 ZINC000815166307 1287361219 /nfs/dbraw/zinc/36/12/19/1287361219.db2.gz AHUPWXMXGQWKIX-XNRPHZJLSA-N 0 0 339.798 2.890 10 10 EFCERN CC(C)(C)OC(=O)C1(C(=O)NCCCSc2nccs2)CC1 ZINC000845507400 1279690158 /nfs/dbraw/zinc/69/01/58/1279690158.db2.gz XDDMNWWMNYMLQU-UHFFFAOYSA-N 0 0 342.486 2.863 10 10 EFCERN CCOC(=O)c1csc(N(C)CCN(C)c2ccc(OC)cc2)n1 ZINC000845669416 1279779134 /nfs/dbraw/zinc/77/91/34/1279779134.db2.gz IKWZEXHQXMBHQL-UHFFFAOYSA-N 0 0 349.456 2.901 10 10 EFCERN C[C@H](NC(=O)Cc1cn2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000845955681 1279932925 /nfs/dbraw/zinc/93/29/25/1279932925.db2.gz CANTYBAGCKDTDU-AWEZNQCLSA-N 0 0 326.444 2.705 10 10 EFCERN CC(=O)Nc1c(C)ccc(NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001144650469 1279952498 /nfs/dbraw/zinc/95/24/98/1279952498.db2.gz IHJXBJDYEWUGCG-UHFFFAOYSA-N 0 0 328.368 2.854 10 10 EFCERN COc1ccc(N(C)CCN(C)Cc2nn(C)c(C)c2Cl)cc1 ZINC000846051664 1280001647 /nfs/dbraw/zinc/00/16/47/1280001647.db2.gz KLUQENAMQSUQID-UHFFFAOYSA-N 0 0 336.867 2.959 10 10 EFCERN CN(C)c1ccc(/C=C/CN2CCOC[C@H]2c2ccnn2C)cc1 ZINC000846114572 1280022869 /nfs/dbraw/zinc/02/28/69/1280022869.db2.gz DUGVHEAEAZATGP-PXPVJAHISA-N 0 0 326.444 2.573 10 10 EFCERN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168787 1280045447 /nfs/dbraw/zinc/04/54/47/1280045447.db2.gz VSXIFAYXHNYGJZ-CZUORRHYSA-N 0 0 328.412 2.929 10 10 EFCERN COc1ccccc1-c1ncc(/C=C2\SC(=S)N(C)C2=O)cn1 ZINC000794185680 1280061292 /nfs/dbraw/zinc/06/12/92/1280061292.db2.gz PCMVKCAMTWOVFA-QPEQYQDCSA-N 0 0 343.433 2.983 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@H+](CC1CCCCC1)C1CC1)cc2=O ZINC000846238100 1280081067 /nfs/dbraw/zinc/08/10/67/1280081067.db2.gz AVIOOPCTIBPQOY-UHFFFAOYSA-N 0 0 344.415 2.678 10 10 EFCERN Cc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846237615 1280082044 /nfs/dbraw/zinc/08/20/44/1280082044.db2.gz FXJQTEDKMHBGGX-LBPRGKRZSA-N 0 0 340.383 2.635 10 10 EFCERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCc2ccc(F)cc21 ZINC000846327098 1280116064 /nfs/dbraw/zinc/11/60/64/1280116064.db2.gz HKMPRSOAAKLYNR-LBPRGKRZSA-N 0 0 341.386 2.535 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2cnc(CC3CC3)nc2)cc1 ZINC000794368448 1280124830 /nfs/dbraw/zinc/12/48/30/1280124830.db2.gz AVXLZLANKGEHOL-UHFFFAOYSA-N 0 0 325.416 2.817 10 10 EFCERN COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000846434196 1280150038 /nfs/dbraw/zinc/15/00/38/1280150038.db2.gz VVXWAWBLJMOOLX-DLBZAZTESA-N 0 0 342.439 2.624 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)CCC(C)(C)C(C)=O)cc1 ZINC000846442287 1280150454 /nfs/dbraw/zinc/15/04/54/1280150454.db2.gz MNAAQEZPZLHUIX-UHFFFAOYSA-N 0 0 334.460 2.985 10 10 EFCERN CCOCCOc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000794374499 1280160199 /nfs/dbraw/zinc/16/01/99/1280160199.db2.gz VIHBXFMPZHMBBX-UHFFFAOYSA-N 0 0 345.395 2.746 10 10 EFCERN COc1ccc(CNC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)c(O)c1 ZINC000794380654 1280161978 /nfs/dbraw/zinc/16/19/78/1280161978.db2.gz GKUGUTXNTROSGI-CYBMUJFWSA-N 0 0 341.411 2.572 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(-n3cc(C)cn3)cc2)c(O)c1 ZINC000794382644 1280164724 /nfs/dbraw/zinc/16/47/24/1280164724.db2.gz DZJMHXWKLZBJCL-UHFFFAOYSA-N 0 0 337.379 2.825 10 10 EFCERN Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000804516736 1280261684 /nfs/dbraw/zinc/26/16/84/1280261684.db2.gz WEROHBSCLWRTFT-GOSISDBHSA-N 0 0 341.407 2.992 10 10 EFCERN Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000804516850 1280261927 /nfs/dbraw/zinc/26/19/27/1280261927.db2.gz WEROHBSCLWRTFT-SFHVURJKSA-N 0 0 341.407 2.992 10 10 EFCERN CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCCOC1 ZINC000846697377 1280426812 /nfs/dbraw/zinc/42/68/12/1280426812.db2.gz PBYJBWVXPPXRHY-OAHLLOKOSA-N 0 0 345.468 2.957 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000846742403 1280470572 /nfs/dbraw/zinc/47/05/72/1280470572.db2.gz YDGYVPLFBUTJBS-LSDHHAIUSA-N 0 0 347.503 2.659 10 10 EFCERN CSC1(CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805389002 1280531671 /nfs/dbraw/zinc/53/16/71/1280531671.db2.gz YOOBIDQUXKMARN-UHFFFAOYSA-N 0 0 345.262 2.850 10 10 EFCERN CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000872120102 1287435101 /nfs/dbraw/zinc/43/51/01/1287435101.db2.gz YWUHQZMISLEOTM-ZBVLDHOZSA-N 0 0 341.448 2.928 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCS[C@H](c2ccccc2)C1 ZINC001145103741 1280723850 /nfs/dbraw/zinc/72/38/50/1280723850.db2.gz WLKLKJJORKNSMS-KRWDZBQOSA-N 0 0 329.421 2.957 10 10 EFCERN Cc1cn(C2CCOCC2)nc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000872171059 1287460068 /nfs/dbraw/zinc/46/00/68/1287460068.db2.gz OAEYQCBVHMCXFQ-UHFFFAOYSA-N 0 0 339.399 2.766 10 10 EFCERN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)nn1C ZINC000806360405 1281050547 /nfs/dbraw/zinc/05/05/47/1281050547.db2.gz GKRZYYQEXSPTAH-UHFFFAOYSA-N 0 0 339.193 2.518 10 10 EFCERN C[C@H](COc1c(F)cccc1F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001146910934 1281067474 /nfs/dbraw/zinc/06/74/74/1281067474.db2.gz QWRHDJSHXAFUAT-LXSSAFMLSA-N 0 0 349.333 2.973 10 10 EFCERN COc1ncc(/C=C\C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC001130663700 1281080607 /nfs/dbraw/zinc/08/06/07/1281080607.db2.gz PSHVDBJMLJMFGQ-DAXSKMNVSA-N 0 0 327.359 2.962 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCC1(F)F ZINC000806673240 1281123683 /nfs/dbraw/zinc/12/36/83/1281123683.db2.gz BUWJYFAQONROTQ-LBPRGKRZSA-N 0 0 344.745 2.998 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000806821136 1281158449 /nfs/dbraw/zinc/15/84/49/1281158449.db2.gz PWBVJPPBPAMTOK-IBGZPJMESA-N 0 0 331.460 2.773 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCCCC[C@H]1CCO ZINC000806958750 1281181612 /nfs/dbraw/zinc/18/16/12/1281181612.db2.gz LUGDGZKOUMGSQN-ZDUSSCGKSA-N 0 0 343.518 2.962 10 10 EFCERN C[C@H](NC(=O)C(=O)NC1CCC2(CC2)CC1)c1ccc(N(C)C)cc1 ZINC000807552392 1281348430 /nfs/dbraw/zinc/34/84/30/1281348430.db2.gz XZCFRZVSQONFPR-AWEZNQCLSA-N 0 0 343.471 2.769 10 10 EFCERN Cc1cc(C)n(-c2ccc(C(=O)NCc3cc(C)ccc3O)cn2)n1 ZINC001147957305 1281377646 /nfs/dbraw/zinc/37/76/46/1281377646.db2.gz PXNPVZUGSUEQSH-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2c(C(F)F)nc3cnccn32)c1 ZINC001147962201 1281378923 /nfs/dbraw/zinc/37/89/23/1281378923.db2.gz PDHLVATZRAMXMT-UHFFFAOYSA-N 0 0 332.310 2.611 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cncc(Cl)n1 ZINC000807739647 1281401255 /nfs/dbraw/zinc/40/12/55/1281401255.db2.gz NSSLSKGZNQFOGX-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc2[nH]cnc2c1 ZINC000807738600 1281401466 /nfs/dbraw/zinc/40/14/66/1281401466.db2.gz GKMVGJQYBGZSAB-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN Cn1cc(-c2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)nn1 ZINC001148201759 1281467139 /nfs/dbraw/zinc/46/71/39/1281467139.db2.gz JWTVVIOYXRMYFI-SOFGYWHQSA-N 0 0 336.351 2.545 10 10 EFCERN Fc1cc(CN2CCO[C@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254829 1287504317 /nfs/dbraw/zinc/50/43/17/1287504317.db2.gz DHKGPKYLHWIOEK-INIZCTEOSA-N 0 0 344.377 2.518 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2ncon2)cc1 ZINC000808094450 1281534552 /nfs/dbraw/zinc/53/45/52/1281534552.db2.gz PJKJWABKKPKADV-UHFFFAOYSA-N 0 0 344.367 2.858 10 10 EFCERN CCc1cnc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001148475368 1281568082 /nfs/dbraw/zinc/56/80/82/1281568082.db2.gz KIQCOQPHFNWCFX-UHFFFAOYSA-N 0 0 331.401 2.840 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCCN(C)C2=O)c1O ZINC000872264128 1287508196 /nfs/dbraw/zinc/50/81/96/1287508196.db2.gz ZGNMIDWFXNEHHF-HNNXBMFYSA-N 0 0 338.835 2.691 10 10 EFCERN Cn1ncc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000808417217 1281707772 /nfs/dbraw/zinc/70/77/72/1281707772.db2.gz DSTNEQMIEASBBN-UHFFFAOYSA-N 0 0 333.439 2.668 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000808504824 1281744885 /nfs/dbraw/zinc/74/48/85/1281744885.db2.gz MCLOMUAUOROWMQ-UHFFFAOYSA-N 0 0 339.185 2.572 10 10 EFCERN O=C(COC(=O)C1=CC(=O)CS1)c1ccnc(C(F)(F)F)c1 ZINC000808516790 1281749472 /nfs/dbraw/zinc/74/94/72/1281749472.db2.gz PUIKPYQPSUWCTE-UHFFFAOYSA-N 0 0 331.271 2.907 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000808500231 1281755565 /nfs/dbraw/zinc/75/55/65/1281755565.db2.gz VVKUEEIEBYPQKR-UHFFFAOYSA-N 0 0 326.348 2.889 10 10 EFCERN CC(=O)C(=O)COC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000808529085 1281755589 /nfs/dbraw/zinc/75/55/89/1281755589.db2.gz DGROLXVIZCHCDR-SECBINFHSA-N 0 0 327.174 2.644 10 10 EFCERN COc1cccc(CC2(C(=O)OCC(=O)C(C)=O)CCCCC2)c1 ZINC000808551384 1281756489 /nfs/dbraw/zinc/75/64/89/1281756489.db2.gz WBARYWIOMCAART-UHFFFAOYSA-N 0 0 332.396 2.890 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC000808541169 1281768884 /nfs/dbraw/zinc/76/88/84/1281768884.db2.gz QFZBHDXSGLIQOJ-UHFFFAOYSA-N 0 0 328.368 2.619 10 10 EFCERN CC(=O)C(=O)COC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000808540003 1281769414 /nfs/dbraw/zinc/76/94/14/1281769414.db2.gz NODPOXZZULZLBP-UHFFFAOYSA-N 0 0 330.302 2.975 10 10 EFCERN Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000809663061 1282391754 /nfs/dbraw/zinc/39/17/54/1282391754.db2.gz JTFJNSMFQDVYMJ-JTQLQIEISA-N 0 0 336.798 2.937 10 10 EFCERN CC(C)(C)n1cc(CNCc2cc(Br)ccc2O)nn1 ZINC000809713171 1282422891 /nfs/dbraw/zinc/42/28/91/1282422891.db2.gz KPDQLALSNZDXPR-UHFFFAOYSA-N 0 0 339.237 2.791 10 10 EFCERN CN(Cc1ccccc1O)c1nnc([C@H]2Cc3ccccc3O2)n1C ZINC000809819985 1282515600 /nfs/dbraw/zinc/51/56/00/1282515600.db2.gz JMLWGPCEKREXIP-QGZVFWFLSA-N 0 0 336.395 2.833 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000810170756 1282963626 /nfs/dbraw/zinc/96/36/26/1282963626.db2.gz ATIGTGBHVNZKNS-LLVKDONJSA-N 0 0 336.233 2.833 10 10 EFCERN CCOC(=O)CN(CCOCc1ccccc1)Cc1ccccc1O ZINC001171390447 1283150328 /nfs/dbraw/zinc/15/03/28/1283150328.db2.gz MXDQCOLYTBXKDU-UHFFFAOYSA-N 0 0 343.423 2.974 10 10 EFCERN COCCCOC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000748013035 1287632852 /nfs/dbraw/zinc/63/28/52/1287632852.db2.gz WFKCYFTZBBPHFI-UHFFFAOYSA-N 0 0 342.439 2.972 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1n1cccn1 ZINC000815660941 1287657754 /nfs/dbraw/zinc/65/77/54/1287657754.db2.gz OLULRCBOMIYAIN-HWHUXHBOSA-N 0 0 346.387 2.566 10 10 EFCERN Cc1cc(C(=O)OC2CN(CC(F)F)C2)c(C)n1-c1ccccn1 ZINC000811000406 1283935778 /nfs/dbraw/zinc/93/57/78/1283935778.db2.gz JLEZLXGNUHNWSQ-UHFFFAOYSA-N 0 0 335.354 2.595 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ocnc1C1CC1 ZINC000811522865 1284371158 /nfs/dbraw/zinc/37/11/58/1284371158.db2.gz GYJKXYHTYKRAEM-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN COCC[C@@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000811942132 1284763509 /nfs/dbraw/zinc/76/35/09/1284763509.db2.gz SSLFLPBFVGKBAA-AWEZNQCLSA-N 0 0 336.457 2.937 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2CC(F)(F)F)cc1F ZINC000812488148 1285200595 /nfs/dbraw/zinc/20/05/95/1285200595.db2.gz ROJSVWBHQITDQO-CQSZACIVSA-N 0 0 347.356 2.535 10 10 EFCERN COC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000812574088 1285232628 /nfs/dbraw/zinc/23/26/28/1285232628.db2.gz CJNIBSGOJORRSS-NXEZZACHSA-N 0 0 330.222 2.690 10 10 EFCERN COC[C@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000812574089 1285233105 /nfs/dbraw/zinc/23/31/05/1285233105.db2.gz CJNIBSGOJORRSS-UWVGGRQHSA-N 0 0 330.222 2.690 10 10 EFCERN C[C@H](NC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000812551579 1285240559 /nfs/dbraw/zinc/24/05/59/1285240559.db2.gz YFFZVQLZYROZFE-SWLSCSKDSA-N 0 0 343.393 2.957 10 10 EFCERN CCOC(=O)CN(Cc1ccc(F)nc1C)Cc1ccccc1O ZINC000822512212 1289020116 /nfs/dbraw/zinc/02/01/16/1289020116.db2.gz XYKJOGJNLMUIDY-UHFFFAOYSA-N 0 0 332.375 2.800 10 10 EFCERN C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)c1ccccc1O ZINC001171722721 1285740693 /nfs/dbraw/zinc/74/06/93/1285740693.db2.gz BRHMQRLCEWIMGT-GHMZBOCLSA-N 0 0 326.352 2.603 10 10 EFCERN C[C@H](NC(=O)c1csc(-c2cnccn2)n1)c1ccccc1O ZINC001171730529 1285746980 /nfs/dbraw/zinc/74/69/80/1285746980.db2.gz NIWUSXFSJBEUKT-JTQLQIEISA-N 0 0 326.381 2.797 10 10 EFCERN CC(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033199 1289029513 /nfs/dbraw/zinc/02/95/13/1289029513.db2.gz UWDHBRKFHXARJJ-KRWDZBQOSA-N 0 0 328.412 2.712 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C[C@@H](O)Cc2ccccc2)cc1 ZINC000813386087 1285850402 /nfs/dbraw/zinc/85/04/02/1285850402.db2.gz FYOSSEQZYQPMFH-IBGZPJMESA-N 0 0 326.440 2.705 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](O)Cc2ccccc2)c1 ZINC000813489171 1285946007 /nfs/dbraw/zinc/94/60/07/1285946007.db2.gz RAURHVRKZBZQAF-UKRRQHHQSA-N 0 0 329.396 2.572 10 10 EFCERN O=C(C[C@H](O)Cc1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000813489951 1285948329 /nfs/dbraw/zinc/94/83/29/1285948329.db2.gz FVVSDPQTZISGSA-QGZVFWFLSA-N 0 0 339.435 2.881 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000822603383 1289041542 /nfs/dbraw/zinc/04/15/42/1289041542.db2.gz TWPDONDVKKMPTI-OAHLLOKOSA-N 0 0 326.444 2.677 10 10 EFCERN CC(F)(F)C(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822613583 1289045016 /nfs/dbraw/zinc/04/50/16/1289045016.db2.gz MNAPGIVJQHFFMS-UHFFFAOYSA-N 0 0 344.377 2.960 10 10 EFCERN CC(C)(C)C[C@H](O)CC(=O)NCc1cc(Br)ccc1O ZINC000813609029 1286021892 /nfs/dbraw/zinc/02/18/92/1286021892.db2.gz ICPFBXMIMIGRSA-GFCCVEGCSA-N 0 0 344.249 2.958 10 10 EFCERN COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2O)cc2[nH]ccc21 ZINC000813867074 1286149960 /nfs/dbraw/zinc/14/99/60/1286149960.db2.gz BCEXVOOFGQHUPL-UHFFFAOYSA-N 0 0 340.335 2.926 10 10 EFCERN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000822667345 1289070191 /nfs/dbraw/zinc/07/01/91/1289070191.db2.gz SZCYDPJRDJHTQO-GFCCVEGCSA-N 0 0 345.424 2.648 10 10 EFCERN C/C(=C/C(=O)N1C[C@H](C)Oc2cc(F)c(F)cc21)c1cnccn1 ZINC001134155044 1286385567 /nfs/dbraw/zinc/38/55/67/1286385567.db2.gz RUYOEYCXVYCJLG-VQNWOSHQSA-N 0 0 331.322 2.972 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)s1 ZINC000822688581 1289081198 /nfs/dbraw/zinc/08/11/98/1289081198.db2.gz RSRCLJHVZLRDHU-UHFFFAOYSA-N 0 0 338.379 2.793 10 10 EFCERN CCc1ncnc(CC)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000814818766 1287051509 /nfs/dbraw/zinc/05/15/09/1287051509.db2.gz IDPPBNLNKCUDEI-UHFFFAOYSA-N 0 0 326.444 2.940 10 10 EFCERN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)C1=CC(=O)CS1 ZINC000871430459 1287059346 /nfs/dbraw/zinc/05/93/46/1287059346.db2.gz IPUPUJYFSUPIRA-OAHLLOKOSA-N 0 0 325.817 2.831 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC000814825714 1287059916 /nfs/dbraw/zinc/05/99/16/1287059916.db2.gz KNWCBCQSMWVONC-KRWDZBQOSA-N 0 0 343.471 2.552 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000888578829 1287116952 /nfs/dbraw/zinc/11/69/52/1287116952.db2.gz YQJJWYBKNYZHRM-UHFFFAOYSA-N 0 0 342.395 2.687 10 10 EFCERN CN(Cc1c(F)cccc1F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000814929487 1287161311 /nfs/dbraw/zinc/16/13/11/1287161311.db2.gz NJIBFEQKUSAELJ-UHFFFAOYSA-N 0 0 349.293 2.840 10 10 EFCERN C/C=C\COc1cccc(CC(=O)NCc2cccc(O)c2O)c1 ZINC001176566276 1288042552 /nfs/dbraw/zinc/04/25/52/1288042552.db2.gz TVPHAFWQUSEDNU-IHWYPQMZSA-N 0 0 327.380 2.912 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000822919346 1289153986 /nfs/dbraw/zinc/15/39/86/1289153986.db2.gz JCMKOWAWHABXKX-VQIMIIECSA-N 0 0 346.471 2.939 10 10 EFCERN Cc1nc2cc(F)cc(C(=O)NCc3cc(O)ccc3O)c2nc1C ZINC001176747843 1288093785 /nfs/dbraw/zinc/09/37/85/1288093785.db2.gz CNMHCIYNHFCGGW-UHFFFAOYSA-N 0 0 341.342 2.727 10 10 EFCERN CCOC(=O)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001176755641 1288119986 /nfs/dbraw/zinc/11/99/86/1288119986.db2.gz RMLJQWCZWMHQQM-UHFFFAOYSA-N 0 0 331.324 2.563 10 10 EFCERN COc1ccc2c(c1)[C@@H](C(=O)NCc1cc(O)ccc1O)CCC2 ZINC001176756117 1288121890 /nfs/dbraw/zinc/12/18/90/1288121890.db2.gz XMRUPZABTVXDBY-INIZCTEOSA-N 0 0 327.380 2.843 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2CCc3cccc(OC)c32)c(O)c1 ZINC000816550824 1288200118 /nfs/dbraw/zinc/20/01/18/1288200118.db2.gz DOPLJXRSMGWSNV-OAHLLOKOSA-N 0 0 327.380 2.756 10 10 EFCERN Cc1cc(O)c(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1C ZINC000816625345 1288214084 /nfs/dbraw/zinc/21/40/84/1288214084.db2.gz BAGTVNWHNIJFAJ-KXBFYZLASA-N 0 0 343.423 2.591 10 10 EFCERN CCc1nc(C)c(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000816653608 1288229390 /nfs/dbraw/zinc/22/93/90/1288229390.db2.gz ANBYYYVBCZNUBA-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN CO[C@@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000816654231 1288230004 /nfs/dbraw/zinc/23/00/04/1288230004.db2.gz YRPRVNQSHRMTBY-GXFFZTMASA-N 0 0 342.233 2.976 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CN1C(=O)Cc2ccccc21 ZINC000816914428 1288330095 /nfs/dbraw/zinc/33/00/95/1288330095.db2.gz QEFJAHWLYIHWNS-UHFFFAOYSA-N 0 0 338.407 2.720 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(F)(c2ccccc2F)C1 ZINC000816943387 1288350276 /nfs/dbraw/zinc/35/02/76/1288350276.db2.gz XEKNHDXVVDSYDM-VURMDHGXSA-N 0 0 331.318 2.957 10 10 EFCERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCSCC1 ZINC001135800890 1288393028 /nfs/dbraw/zinc/39/30/28/1288393028.db2.gz ULALERMJHHVPMK-INIZCTEOSA-N 0 0 347.528 2.683 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000817129324 1288429638 /nfs/dbraw/zinc/42/96/38/1288429638.db2.gz GLBKSWYZQQTRIB-HZRUHFOJSA-N 0 0 348.399 2.770 10 10 EFCERN COCCN(Cc1nn(C)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000817275710 1288520179 /nfs/dbraw/zinc/52/01/79/1288520179.db2.gz MCCIFMVTGCUYCE-UHFFFAOYSA-N 0 0 339.823 2.744 10 10 EFCERN Cn1cc(Cl)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000817274403 1288520409 /nfs/dbraw/zinc/52/04/09/1288520409.db2.gz CTYYTOYTMNMCCC-CQSZACIVSA-N 0 0 335.835 2.960 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001177745784 1288531594 /nfs/dbraw/zinc/53/15/94/1288531594.db2.gz XULXHAYBBAENSZ-SAUJUNCPSA-N 0 0 329.327 2.699 10 10 EFCERN O=C1NCC2(CN(Cc3ccc4c(c3)CCN4Cc3ccccc3)C2)O1 ZINC000817418200 1288593206 /nfs/dbraw/zinc/59/32/06/1288593206.db2.gz GAPYBTWSTSYWTB-UHFFFAOYSA-N 0 0 349.434 2.544 10 10 EFCERN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccnn1C ZINC000817427963 1288604733 /nfs/dbraw/zinc/60/47/33/1288604733.db2.gz VOQZCXXIPQTXRK-CQSZACIVSA-N 0 0 326.444 2.781 10 10 EFCERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000817640524 1288678001 /nfs/dbraw/zinc/67/80/01/1288678001.db2.gz QLIOSCIXOMFPTQ-MRXNPFEDSA-N 0 0 339.439 2.611 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(CO)c1 ZINC001135968317 1288692838 /nfs/dbraw/zinc/69/28/38/1288692838.db2.gz QYNIXIUUVPJDOT-UHFFFAOYSA-N 0 0 339.439 2.836 10 10 EFCERN CN(c1ccc(CNC(=O)c2ns[nH]c2=O)cc1)C1CCCCC1 ZINC001136446616 1288719369 /nfs/dbraw/zinc/71/93/69/1288719369.db2.gz OPOHCIZLGRTTLF-UHFFFAOYSA-N 0 0 346.456 2.943 10 10 EFCERN Cc1cc(CC(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000821476474 1288734095 /nfs/dbraw/zinc/73/40/95/1288734095.db2.gz XFUDDDGUTGEVCO-GOSISDBHSA-N 0 0 339.439 2.503 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1F ZINC001136454417 1288739778 /nfs/dbraw/zinc/73/97/78/1288739778.db2.gz XNNSEZSTDHMVTF-UHFFFAOYSA-N 0 0 349.337 2.798 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413352 1288781216 /nfs/dbraw/zinc/78/12/16/1288781216.db2.gz QXDOJLMVCLDRLS-STQMWFEESA-N 0 0 330.315 2.859 10 10 EFCERN COC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001178585914 1288817541 /nfs/dbraw/zinc/81/75/41/1288817541.db2.gz LEEJTEATLGGMNV-QGZVFWFLSA-N 0 0 342.439 2.890 10 10 EFCERN COC[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001178586791 1288817647 /nfs/dbraw/zinc/81/76/47/1288817647.db2.gz YHOZYDRZVVXLNC-KRWDZBQOSA-N 0 0 346.402 2.721 10 10 EFCERN CCc1noc(C)c1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822145746 1288892004 /nfs/dbraw/zinc/89/20/04/1288892004.db2.gz MPQGGLLJFJBMSE-ZDUSSCGKSA-N 0 0 344.415 2.954 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3CC34CCSCC4)CC2)cc1 ZINC000822196959 1288904767 /nfs/dbraw/zinc/90/47/67/1288904767.db2.gz DVNHLCITKXIDOJ-QGZVFWFLSA-N 0 0 346.496 2.877 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(OCC(F)F)c1 ZINC001136562219 1288916131 /nfs/dbraw/zinc/91/61/31/1288916131.db2.gz KZARGFAOESSOOY-UHFFFAOYSA-N 0 0 337.322 2.601 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCOC[C@H]2OC)cc1 ZINC000822269148 1288922821 /nfs/dbraw/zinc/92/28/21/1288922821.db2.gz LTGXMJDEKMZMTE-IEBWSBKVSA-N 0 0 348.487 2.933 10 10 EFCERN O=C(CCCOc1ccc(F)cc1F)NCc1c(O)cccc1O ZINC001178912911 1288980512 /nfs/dbraw/zinc/98/05/12/1288980512.db2.gz YZGPFFMFYWVETI-UHFFFAOYSA-N 0 0 337.322 2.851 10 10 EFCERN C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000823292727 1289273073 /nfs/dbraw/zinc/27/30/73/1289273073.db2.gz RAWRESGUTYGLSR-HNNXBMFYSA-N 0 0 328.412 2.611 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cncc3[nH]cnc32)cc1F ZINC001136730208 1289323021 /nfs/dbraw/zinc/32/30/21/1289323021.db2.gz GRDJQBCEROCPJJ-UHFFFAOYSA-N 0 0 341.390 2.873 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C2=C[S@](=O)CCC2)cc1F ZINC001136730450 1289323433 /nfs/dbraw/zinc/32/34/33/1289323433.db2.gz PLYIJNRYUODUFZ-HSZRJFAPSA-N 0 0 338.448 2.715 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001136743454 1289336158 /nfs/dbraw/zinc/33/61/58/1289336158.db2.gz RTPOHZOZGJDTLD-UHFFFAOYSA-N 0 0 349.438 2.700 10 10 EFCERN CCN(C)c1ccc(CNC(C)(C)c2nocc2C(=O)OC)cc1 ZINC000823680232 1289419495 /nfs/dbraw/zinc/41/94/95/1289419495.db2.gz IHBGCGRYJHIUOR-UHFFFAOYSA-N 0 0 331.416 2.942 10 10 EFCERN COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)CC1CCCC1 ZINC001180206599 1289443777 /nfs/dbraw/zinc/44/37/77/1289443777.db2.gz MFQKLENVHVEUFT-CYBMUJFWSA-N 0 0 335.400 2.506 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(O)c1 ZINC000823768263 1289445365 /nfs/dbraw/zinc/44/53/65/1289445365.db2.gz RNKFAXBWQKDLMP-CGTJXYLNSA-N 0 0 342.370 2.677 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1O ZINC000823775694 1289447115 /nfs/dbraw/zinc/44/71/15/1289447115.db2.gz YHAOWJZEJKTENV-USXIJHARSA-N 0 0 342.370 2.677 10 10 EFCERN CO[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000823834980 1289463982 /nfs/dbraw/zinc/46/39/82/1289463982.db2.gz SBKXDSCHACROAM-QILLFSRXSA-N 0 0 332.444 2.516 10 10 EFCERN CO[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823834992 1289464237 /nfs/dbraw/zinc/46/42/37/1289464237.db2.gz SISASRYVEQGNBQ-BEFAXECRSA-N 0 0 346.471 2.906 10 10 EFCERN COc1cc(CN2C[C@H](O)CC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000825658481 1289588692 /nfs/dbraw/zinc/58/86/92/1289588692.db2.gz PFTIYEMUNCNYKX-GFCCVEGCSA-N 0 0 329.387 2.900 10 10 EFCERN COc1ccc(N2CCC(NCc3noc(C4CC4)n3)CC2)cc1 ZINC000824321734 1289606064 /nfs/dbraw/zinc/60/60/64/1289606064.db2.gz VWIBXERYPNTDFS-UHFFFAOYSA-N 0 0 328.416 2.714 10 10 EFCERN Cc1cnn(C)c1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000824380212 1289634036 /nfs/dbraw/zinc/63/40/36/1289634036.db2.gz NTBSRJMXWFEHDT-UHFFFAOYSA-N 0 0 327.432 2.991 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000824524155 1289681761 /nfs/dbraw/zinc/68/17/61/1289681761.db2.gz RFOKRBAMVMZFSI-VIBAHUMZSA-N 0 0 329.444 2.619 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501086 1289690248 /nfs/dbraw/zinc/69/02/48/1289690248.db2.gz CWZZVQSBLZFGIG-KGLIPLIRSA-N 0 0 331.243 2.604 10 10 EFCERN C[C@H](COc1c(F)cccc1F)NC(=O)Cc1ccc(O)c(O)c1 ZINC001166179606 1312741448 /nfs/dbraw/zinc/74/14/48/1312741448.db2.gz HFTYIISZEQFODE-SNVBAGLBSA-N 0 0 337.322 2.502 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817542414 1289953291 /nfs/dbraw/zinc/95/32/91/1289953291.db2.gz NZXRGAMPTPXEFP-BZUAXINKSA-N 0 0 346.446 2.839 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1F ZINC000817544986 1289955395 /nfs/dbraw/zinc/95/53/95/1289955395.db2.gz RQXWRMSDSYNRRX-RBSFLKMASA-N 0 0 332.419 2.919 10 10 EFCERN C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1ccc(N(C)C)cc1 ZINC000875507622 1290551620 /nfs/dbraw/zinc/55/16/20/1290551620.db2.gz GCZLZDSJAHZRGV-URLQWDBASA-N 0 0 331.460 2.618 10 10 EFCERN CC(=O)N(C)c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875821050 1290668661 /nfs/dbraw/zinc/66/86/61/1290668661.db2.gz IDPIRFCBOPAGOE-UHFFFAOYSA-N 0 0 339.395 2.600 10 10 EFCERN Cc1ccc(O)c(CNc2ncc(I)cn2)c1 ZINC001187081509 1291101406 /nfs/dbraw/zinc/10/14/06/1291101406.db2.gz MJKDHMZIZPIDLJ-UHFFFAOYSA-N 0 0 341.152 2.707 10 10 EFCERN CC(=O)N(c1nc(CN2Cc3cccc(O)c3C2)cs1)C1CC1 ZINC000877702910 1291335623 /nfs/dbraw/zinc/33/56/23/1291335623.db2.gz JMECRDBLNUTVSC-UHFFFAOYSA-N 0 0 329.425 2.880 10 10 EFCERN O=c1c2ccccc2sn1Cc1ccc(N2CCOCC2)cc1 ZINC000877889166 1291406599 /nfs/dbraw/zinc/40/65/99/1291406599.db2.gz GHQRSYFJMHLOGF-UHFFFAOYSA-N 0 0 326.421 2.948 10 10 EFCERN Cc1cn(C)nc1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000826029510 1291550692 /nfs/dbraw/zinc/55/06/92/1291550692.db2.gz GUQNKINTINKMCI-AWEZNQCLSA-N 0 0 329.448 2.856 10 10 EFCERN COc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1C ZINC000775325566 1291879314 /nfs/dbraw/zinc/87/93/14/1291879314.db2.gz BYYUNBASXMUYTP-UHFFFAOYSA-N 0 0 345.403 2.939 10 10 EFCERN C[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccccc1O ZINC001151892198 1292331217 /nfs/dbraw/zinc/33/12/17/1292331217.db2.gz KZMSGPKFNYPWDO-JTQLQIEISA-N 0 0 326.381 2.797 10 10 EFCERN O=S(=O)(CC1CCCC1)NCc1cc(Br)ccc1O ZINC000796190220 1292384011 /nfs/dbraw/zinc/38/40/11/1292384011.db2.gz CKOHGPVCJYEFEA-UHFFFAOYSA-N 0 0 348.262 2.764 10 10 EFCERN Cc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)o1 ZINC000796191442 1292385412 /nfs/dbraw/zinc/38/54/12/1292385412.db2.gz UNJIILRYLDSMJG-UHFFFAOYSA-N 0 0 346.202 2.535 10 10 EFCERN CCN(CC)C(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775652614 1293917964 /nfs/dbraw/zinc/91/79/64/1293917964.db2.gz OAHATYLJWPXGEP-UHFFFAOYSA-N 0 0 339.867 2.933 10 10 EFCERN COc1ccc(N2CCC(NC(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000102484378 1294279899 /nfs/dbraw/zinc/27/98/99/1294279899.db2.gz OZGXJNNEJJJMBQ-UHFFFAOYSA-N 0 0 340.423 2.729 10 10 EFCERN CC(C)C1(S(=O)(=O)NCc2cccc(Br)c2O)CC1 ZINC000867194997 1294339853 /nfs/dbraw/zinc/33/98/53/1294339853.db2.gz MUYPPNSBODPGJG-UHFFFAOYSA-N 0 0 348.262 2.763 10 10 EFCERN O=C(COC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccc(O)c(O)c1 ZINC000803736420 1313074850 /nfs/dbraw/zinc/07/48/50/1313074850.db2.gz KGXGOBRLLSYKOQ-UWVGGRQHSA-N 0 0 332.274 2.802 10 10 EFCERN C[C@@H](NC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000826532807 1295263494 /nfs/dbraw/zinc/26/34/94/1295263494.db2.gz YGJOQEROTOJRKD-KDOFPFPSSA-N 0 0 349.500 2.731 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000867302044 1295421620 /nfs/dbraw/zinc/42/16/20/1295421620.db2.gz JBGCGMIYWDZTIN-QMMMGPOBSA-N 0 0 335.791 2.713 10 10 EFCERN CC(=O)NN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000005753104 1295455378 /nfs/dbraw/zinc/45/53/78/1295455378.db2.gz SJVMGIPHWXYRSA-UXBLZVDNSA-N 0 0 344.364 2.540 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012389 1295680633 /nfs/dbraw/zinc/68/06/33/1295680633.db2.gz GGVFVARSZYFOAQ-STQMWFEESA-N 0 0 345.798 2.727 10 10 EFCERN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012382 1295680933 /nfs/dbraw/zinc/68/09/33/1295680933.db2.gz GGVFVARSZYFOAQ-CHWSQXEVSA-N 0 0 345.798 2.727 10 10 EFCERN Cc1ccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)c(O)c1O ZINC000924170698 1296741883 /nfs/dbraw/zinc/74/18/83/1296741883.db2.gz USJDUIKNSWWJSQ-CQSZACIVSA-N 0 0 349.427 2.502 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925164212 1296805222 /nfs/dbraw/zinc/80/52/22/1296805222.db2.gz CRERBAWAQMIBKQ-LQDVMPOASA-N 0 0 346.452 2.831 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H](c2ncccn2)C2CC2)cc1 ZINC000925436231 1296838434 /nfs/dbraw/zinc/83/84/34/1296838434.db2.gz WASFXAYDTRKBLC-QGZVFWFLSA-N 0 0 339.443 2.835 10 10 EFCERN S=C(NCc1ccc(Cl)cn1)Nc1ccc2c(c1)OCCO2 ZINC000776195381 1296949625 /nfs/dbraw/zinc/94/96/25/1296949625.db2.gz QACRHCOJHHIZOP-UHFFFAOYSA-N 0 0 335.816 2.993 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)c(O)c1O ZINC000927276939 1297007141 /nfs/dbraw/zinc/00/71/41/1297007141.db2.gz DOQQQLRYIDLOSF-ZDUSSCGKSA-N 0 0 333.281 2.913 10 10 EFCERN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417490 1297166636 /nfs/dbraw/zinc/16/66/36/1297166636.db2.gz XCYFPWBGGBKDTD-UHFFFAOYSA-N 0 0 337.388 2.589 10 10 EFCERN CC[S@](C)(=O)=NS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000867423004 1297208866 /nfs/dbraw/zinc/20/88/66/1297208866.db2.gz YYYVCHNOXWXCSN-NRFANRHFSA-N 0 0 344.458 2.536 10 10 EFCERN COc1ccc(N2CCN([C@@H](C)c3snnc3C)CC2)c(OC)c1 ZINC000931530711 1297351401 /nfs/dbraw/zinc/35/14/01/1297351401.db2.gz NWLAOHJHGLWWJB-ZDUSSCGKSA-N 0 0 348.472 2.747 10 10 EFCERN COc1ccc(N2CCN(Cc3c(F)cncc3F)CC2)c(OC)c1 ZINC000931530404 1297351792 /nfs/dbraw/zinc/35/17/92/1297351792.db2.gz DOYBTCAVQTWZBM-UHFFFAOYSA-N 0 0 349.381 2.699 10 10 EFCERN Cn1nccc1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000776326273 1297674583 /nfs/dbraw/zinc/67/45/83/1297674583.db2.gz DUOXDFHQCAVMNX-UHFFFAOYSA-N 0 0 346.394 2.701 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000778919937 1297730825 /nfs/dbraw/zinc/73/08/25/1297730825.db2.gz QIIGFXKTUIJZJT-INIZCTEOSA-N 0 0 327.380 2.922 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000778919938 1297731554 /nfs/dbraw/zinc/73/15/54/1297731554.db2.gz QIIGFXKTUIJZJT-MRXNPFEDSA-N 0 0 327.380 2.922 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2CCOc3c(F)cccc32)c1O ZINC001545684277 1298185343 /nfs/dbraw/zinc/18/53/43/1298185343.db2.gz QNYPKXHFWHEDKC-CYBMUJFWSA-N 0 0 331.343 2.722 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 ZINC000081812023 1298586749 /nfs/dbraw/zinc/58/67/49/1298586749.db2.gz CNHJBHNVOBPFRE-UHFFFAOYSA-N 0 0 342.443 2.515 10 10 EFCERN [NH3+][C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C(F)(F)F ZINC000903983873 1313535931 /nfs/dbraw/zinc/53/59/31/1313535931.db2.gz MYFPWYMJYPGLHO-ONGXEEELSA-N 0 0 326.721 2.896 10 10 EFCERN CCCN(CC1=NS(=O)(=O)c2ccccc21)Cc1ccccc1O ZINC000851792898 1299399302 /nfs/dbraw/zinc/39/93/02/1299399302.db2.gz TZDISQQSINUZAX-UHFFFAOYSA-N 0 0 344.436 2.796 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NOCc3ccccc3)C2)cc1 ZINC000851930116 1299469937 /nfs/dbraw/zinc/46/99/37/1299469937.db2.gz YACYRQKSIATMOQ-INIZCTEOSA-N 0 0 341.411 2.705 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NOCc3ccccc3)C2)cc1 ZINC000851930117 1299470212 /nfs/dbraw/zinc/47/02/12/1299470212.db2.gz YACYRQKSIATMOQ-MRXNPFEDSA-N 0 0 341.411 2.705 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccsc3)C2)cc1 ZINC000851951622 1299482527 /nfs/dbraw/zinc/48/25/27/1299482527.db2.gz FAMYAKMEWQHGRM-OAHLLOKOSA-N 0 0 345.468 2.877 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000851987345 1299493159 /nfs/dbraw/zinc/49/31/59/1299493159.db2.gz MHCDJJTYWDNYOV-QFBILLFUSA-N 0 0 331.460 2.711 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCc3nccnc3C2)cc1 ZINC000851988497 1299493528 /nfs/dbraw/zinc/49/35/28/1299493528.db2.gz ZOMYCHPLBPEEJS-UHFFFAOYSA-N 0 0 339.443 2.591 10 10 EFCERN O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000851987788 1299493741 /nfs/dbraw/zinc/49/37/41/1299493741.db2.gz PZIDJMGTTWNOJY-OAHLLOKOSA-N 0 0 339.386 2.510 10 10 EFCERN CC(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000851990525 1299495111 /nfs/dbraw/zinc/49/51/11/1299495111.db2.gz SZEKDFWTIFPBMY-SFHVURJKSA-N 0 0 349.450 2.896 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nccn2C)cc1F ZINC000852085193 1299542990 /nfs/dbraw/zinc/54/29/90/1299542990.db2.gz SYMQUHMJCDFFGU-CYBMUJFWSA-N 0 0 347.438 2.966 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)SC)C2)cc1 ZINC000852162174 1299572618 /nfs/dbraw/zinc/57/26/18/1299572618.db2.gz WKKURDJXVREGEC-CYBMUJFWSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000852211447 1299599044 /nfs/dbraw/zinc/59/90/44/1299599044.db2.gz KZISGOVCLDENLQ-QWHCGFSZSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000852225661 1299605381 /nfs/dbraw/zinc/60/53/81/1299605381.db2.gz CBYMMQWAMAJNGY-LSDHHAIUSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCCO3)C2)cc1 ZINC000852248048 1299614180 /nfs/dbraw/zinc/61/41/80/1299614180.db2.gz BCQXDSPWOJKYII-MAUKXSAKSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)cc1 ZINC000852267563 1299623923 /nfs/dbraw/zinc/62/39/23/1299623923.db2.gz WGOTWDOGRSKJIT-WMLDXEAASA-N 0 0 347.459 2.531 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccco3)CC2)cc1 ZINC000852325051 1299659124 /nfs/dbraw/zinc/65/91/24/1299659124.db2.gz XIVTUZZKGGTQIH-UHFFFAOYSA-N 0 0 341.455 2.841 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCC3(F)CCC3)C2)cc1 ZINC000852339027 1299665698 /nfs/dbraw/zinc/66/56/98/1299665698.db2.gz CZZFBTCGLXDHEL-CQSZACIVSA-N 0 0 335.423 2.855 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(F)(F)F)C2)cc1 ZINC000852340372 1299668243 /nfs/dbraw/zinc/66/82/43/1299668243.db2.gz FGWVLFZDHZAHFF-QWRGUYRKSA-N 0 0 331.338 2.524 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)CC(F)F)C2)cc1 ZINC000852392195 1299687972 /nfs/dbraw/zinc/68/79/72/1299687972.db2.gz IUKNOIMNZNELEN-QWHCGFSZSA-N 0 0 341.402 2.864 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCS[C@H](C)CC3)C2)cc1 ZINC000852451874 1299709362 /nfs/dbraw/zinc/70/93/62/1299709362.db2.gz QJMJREDIDXNFRM-HUUCEWRRSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCS[C@@H](C)CC3)C2)cc1 ZINC000852451876 1299709840 /nfs/dbraw/zinc/70/98/40/1299709840.db2.gz QJMJREDIDXNFRM-LSDHHAIUSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)S[C@@H](C)C3)C2)cc1 ZINC000852455059 1299710807 /nfs/dbraw/zinc/71/08/07/1299710807.db2.gz RYDASGJEFCBRQR-KKUMJFAQSA-N 0 0 349.500 2.809 10 10 EFCERN Cc1ccncc1CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000852493127 1299725929 /nfs/dbraw/zinc/72/59/29/1299725929.db2.gz GJEVTLDQZFMQJL-UHFFFAOYSA-N 0 0 338.455 2.814 10 10 EFCERN CN1CCCc2cc(CNC(=O)NC[C@@H]3CCOC3(C)C)ccc21 ZINC000852686754 1299812766 /nfs/dbraw/zinc/81/27/66/1299812766.db2.gz KWVDPRQCBKMKJL-INIZCTEOSA-N 0 0 331.460 2.683 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C ZINC000852688824 1299813418 /nfs/dbraw/zinc/81/34/18/1299813418.db2.gz LDBQMPAFHGVXER-LBPRGKRZSA-N 0 0 328.416 2.565 10 10 EFCERN CC1(C)CC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852698807 1299818286 /nfs/dbraw/zinc/81/82/86/1299818286.db2.gz ZKQDTULJWSSRGR-UHFFFAOYSA-N 0 0 331.460 2.636 10 10 EFCERN C[C@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000852981397 1299958347 /nfs/dbraw/zinc/95/83/47/1299958347.db2.gz MQOMORUZOHWURY-ZDUSSCGKSA-N 0 0 327.432 2.695 10 10 EFCERN Cc1cc(CC(=O)OC[C@@H]2COCCO2)c(C)n1-c1ccccc1 ZINC000853104423 1300008561 /nfs/dbraw/zinc/00/85/61/1300008561.db2.gz SOBJPSSZDRAEDL-SFHVURJKSA-N 0 0 329.396 2.595 10 10 EFCERN Cc1cc(CC(=O)O[C@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000853129796 1300018902 /nfs/dbraw/zinc/01/89/02/1300018902.db2.gz PMOLTUOGOZVSEM-OAHLLOKOSA-N 0 0 328.412 2.657 10 10 EFCERN C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000853245227 1300065019 /nfs/dbraw/zinc/06/50/19/1300065019.db2.gz VWKBHCXPBGSCIM-HNNXBMFYSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@](O)(C2CC2)C1 ZINC000853412031 1300108041 /nfs/dbraw/zinc/10/80/41/1300108041.db2.gz SDPGQXFUWOCYDW-FQEVSTJZSA-N 0 0 343.471 2.733 10 10 EFCERN COc1cc(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853612829 1300194268 /nfs/dbraw/zinc/19/42/68/1300194268.db2.gz LHASUIHDZAKIQX-NSHDSACASA-N 0 0 335.322 2.563 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853632310 1300204338 /nfs/dbraw/zinc/20/43/38/1300204338.db2.gz UMLZVKKPRRLPHO-QLJPJBMISA-N 0 0 331.359 2.654 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1 ZINC000853736766 1300250987 /nfs/dbraw/zinc/25/09/87/1300250987.db2.gz NSQFWAUWSCJELA-YVEFUNNKSA-N 0 0 326.396 2.928 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000853749047 1300257285 /nfs/dbraw/zinc/25/72/85/1300257285.db2.gz LDGRIBTYGSGFFF-KDURUIRLSA-N 0 0 331.460 2.629 10 10 EFCERN CNc1c(Cl)ncnc1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853758578 1300260583 /nfs/dbraw/zinc/26/05/83/1300260583.db2.gz HSPRVAOZEBPZFO-LLVKDONJSA-N 0 0 333.823 2.871 10 10 EFCERN COC(=O)c1nc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)sc1C ZINC000853758609 1300260805 /nfs/dbraw/zinc/26/08/05/1300260805.db2.gz IHYGMZOEEVAHFG-GFCCVEGCSA-N 0 0 347.440 2.938 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc(Br)cn3)C2)cc1 ZINC000853758201 1300260925 /nfs/dbraw/zinc/26/09/25/1300260925.db2.gz BISZSHLGARMFQE-GFCCVEGCSA-N 0 0 349.232 2.939 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3cc(N)ccc3[N+](=O)[O-])C2)cc1 ZINC000853758346 1300261078 /nfs/dbraw/zinc/26/10/78/1300261078.db2.gz CNKVLSRVUBAHHB-CYBMUJFWSA-N 0 0 328.372 2.876 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000853759286 1300262019 /nfs/dbraw/zinc/26/20/19/1300262019.db2.gz RFMPCMQGURLMOU-OAHLLOKOSA-N 0 0 346.452 2.790 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000853758906 1300262181 /nfs/dbraw/zinc/26/21/81/1300262181.db2.gz MKUMGEZMWZHXAZ-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000853758905 1300262290 /nfs/dbraw/zinc/26/22/90/1300262290.db2.gz MKUMGEZMWZHXAZ-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000853759245 1300262303 /nfs/dbraw/zinc/26/23/03/1300262303.db2.gz QBKWHSXCRPXITP-OAHLLOKOSA-N 0 0 339.443 2.776 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@](O)(C2CC2)C1 ZINC000853776792 1300271555 /nfs/dbraw/zinc/27/15/55/1300271555.db2.gz WFBDOEZEJZASJQ-HXUWFJFHSA-N 0 0 341.455 2.509 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000853803299 1300284480 /nfs/dbraw/zinc/28/44/80/1300284480.db2.gz CQIJOWOUEHHCLC-VVDJSUPNSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nnc(C(C)C)s3)C2)cc1 ZINC000853817836 1300292621 /nfs/dbraw/zinc/29/26/21/1300292621.db2.gz OBYVXDZHWMXNRL-LBPRGKRZSA-N 0 0 346.456 2.679 10 10 EFCERN C[C@@]1(C2CC2)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000853855911 1300310947 /nfs/dbraw/zinc/31/09/47/1300310947.db2.gz KQJAUIVBDLAFJT-HNNXBMFYSA-N 0 0 341.502 2.836 10 10 EFCERN Cc1cc(CC(=O)O[C@H](C(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000853935489 1300349669 /nfs/dbraw/zinc/34/96/69/1300349669.db2.gz ZQPKPPHKSLGUHA-SFHVURJKSA-N 0 0 328.412 2.690 10 10 EFCERN Cc1cc(CC(=O)OCC(=O)NCC2CC2)c(C)n1-c1ccccc1 ZINC000853935274 1300350805 /nfs/dbraw/zinc/35/08/05/1300350805.db2.gz YDOYTXKRBUQIHY-UHFFFAOYSA-N 0 0 340.423 2.706 10 10 EFCERN Cc1cc(CC(=O)OC[C@H]2COC(=O)O2)c(C)n1-c1ccccc1 ZINC000853933925 1300350818 /nfs/dbraw/zinc/35/08/18/1300350818.db2.gz LSHMFGZTTXCJTB-INIZCTEOSA-N 0 0 329.352 2.715 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000854177507 1300462837 /nfs/dbraw/zinc/46/28/37/1300462837.db2.gz XZHFZNAWBMGZFN-QGTPRVQTSA-N 0 0 345.487 2.595 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3CC4(CC4(F)F)C3)CC2)cc1 ZINC000854198435 1300468390 /nfs/dbraw/zinc/46/83/90/1300468390.db2.gz JLJVUNNIEMRNDW-UHFFFAOYSA-N 0 0 336.382 2.779 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000854297153 1300504696 /nfs/dbraw/zinc/50/46/96/1300504696.db2.gz NQJVWAPGAUKWFP-MPGHIAIKSA-N 0 0 329.444 2.858 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C[C@@H](C)OC)C(C)C)C2)cc1 ZINC000854299936 1300504914 /nfs/dbraw/zinc/50/49/14/1300504914.db2.gz MKXHPUHGUGWJPH-HZPDHXFCSA-N 0 0 349.475 2.729 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C(C)(C)C)C3)C2)cc1 ZINC000854298130 1300505351 /nfs/dbraw/zinc/50/53/51/1300505351.db2.gz WIPFXRTWJSVOMY-HNNXBMFYSA-N 0 0 331.460 2.961 10 10 EFCERN COC(=O)C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC2(CCC2)C1 ZINC000854324837 1300520979 /nfs/dbraw/zinc/52/09/79/1300520979.db2.gz QNLCASNYIQFRPG-UHFFFAOYSA-N 0 0 344.455 2.835 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC000854385802 1300543751 /nfs/dbraw/zinc/54/37/51/1300543751.db2.gz LTYFDLCIOYTMGP-IBGZPJMESA-N 0 0 330.403 2.570 10 10 EFCERN Cc1cc(CC(=O)N[C@@H]2C(=O)OCC2(C)C)c(C)n1-c1ccccc1 ZINC000854429744 1300564855 /nfs/dbraw/zinc/56/48/55/1300564855.db2.gz KFSHONCOWJOVQN-GOSISDBHSA-N 0 0 340.423 2.704 10 10 EFCERN Cc1cc(CC(=O)N[C@H]2C(=O)OCC2(C)C)c(C)n1-c1ccccc1 ZINC000854429745 1300565322 /nfs/dbraw/zinc/56/53/22/1300565322.db2.gz KFSHONCOWJOVQN-SFHVURJKSA-N 0 0 340.423 2.704 10 10 EFCERN COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000776747886 1300614485 /nfs/dbraw/zinc/61/44/85/1300614485.db2.gz PWOIZYHXGBHGSD-YHYXMXQVSA-N 0 0 347.392 2.688 10 10 EFCERN COc1ccc(CNc2cnn(Cc3ccccc3)c(=O)c2)c(O)c1 ZINC000795285919 1300618766 /nfs/dbraw/zinc/61/87/66/1300618766.db2.gz VZWWVMVAFRWDFX-UHFFFAOYSA-N 0 0 337.379 2.618 10 10 EFCERN CCO[C@@H]1COC[C@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854888609 1300722028 /nfs/dbraw/zinc/72/20/28/1300722028.db2.gz PNWSUZSYVHKFOP-RTBURBONSA-N 0 0 342.439 2.557 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000854980458 1300755274 /nfs/dbraw/zinc/75/52/74/1300755274.db2.gz BMOLPESBZAUUDE-MDZRGWNJSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COCC3CCCC3)C2)cc1 ZINC000855223106 1300844791 /nfs/dbraw/zinc/84/47/91/1300844791.db2.gz DYXDCICLAHKNOH-MRXNPFEDSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000855223222 1300845595 /nfs/dbraw/zinc/84/55/95/1300845595.db2.gz CZACCWDONZTKHA-CQSZACIVSA-N 0 0 348.443 2.512 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCc4cccnc43)C2)cc1 ZINC000855223055 1300845644 /nfs/dbraw/zinc/84/56/44/1300845644.db2.gz BLWUNNHHFSMKKT-QAPCUYQASA-N 0 0 337.423 2.515 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc4c(s3)CCC4)C2)cc1 ZINC000855223163 1300846111 /nfs/dbraw/zinc/84/61/11/1300846111.db2.gz FQAZWXZGGOKHMY-GFCCVEGCSA-N 0 0 343.452 2.649 10 10 EFCERN COCc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224646 1300846654 /nfs/dbraw/zinc/84/66/54/1300846654.db2.gz GSPKCCQBLBAQBZ-CQSZACIVSA-N 0 0 346.452 2.912 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000795359386 1300846829 /nfs/dbraw/zinc/84/68/29/1300846829.db2.gz CAGUYAVCNSAEJS-UHFFFAOYSA-N 0 0 334.416 2.962 10 10 EFCERN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224112 1300847098 /nfs/dbraw/zinc/84/70/98/1300847098.db2.gz DHOZJTWFWUIOGC-TXPKVOOTSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3csc(C(C)=O)c3)C2)cc1 ZINC000855224390 1300847141 /nfs/dbraw/zinc/84/71/41/1300847141.db2.gz FWVGTKUDJAJIHR-CQSZACIVSA-N 0 0 344.436 2.968 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C=C/c3ccncc3C)C2)cc1 ZINC000855224301 1300847173 /nfs/dbraw/zinc/84/71/73/1300847173.db2.gz FDBSERQIGONHTL-HJYWZVSTSA-N 0 0 337.423 2.807 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3occ4c3CCC4)C2)cc1 ZINC000855226685 1300848716 /nfs/dbraw/zinc/84/87/16/1300848716.db2.gz PUGSBNDMECWJRM-CQSZACIVSA-N 0 0 326.396 2.786 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ncccc3Cl)C2)cc1 ZINC000855226975 1300849297 /nfs/dbraw/zinc/84/92/97/1300849297.db2.gz RSGMSPQUMQXBLU-LBPRGKRZSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3Cc4ccccc4C3)C2)cc1 ZINC000855226920 1300849311 /nfs/dbraw/zinc/84/93/11/1300849311.db2.gz UQVRFTRRSRSMLB-SFHVURJKSA-N 0 0 336.435 2.805 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)cc1 ZINC000855227425 1300849712 /nfs/dbraw/zinc/84/97/12/1300849712.db2.gz YOXFOIGPAVFUIE-BEFAXECRSA-N 0 0 340.398 2.869 10 10 EFCERN COCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855230338 1300850013 /nfs/dbraw/zinc/85/00/13/1300850013.db2.gz VKBVYTDXZQZKSD-KRWDZBQOSA-N 0 0 340.423 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)cc1 ZINC000855229786 1300850397 /nfs/dbraw/zinc/85/03/97/1300850397.db2.gz QIZGAIKOWWJSOZ-HNNXBMFYSA-N 0 0 344.386 2.608 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)C)nn3C)C2)cc1 ZINC000855231445 1300852340 /nfs/dbraw/zinc/85/23/40/1300852340.db2.gz MTSPEXHCTCGTSX-AWEZNQCLSA-N 0 0 342.443 2.561 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(F)cccc3OC)C2)cc1 ZINC000855232559 1300852364 /nfs/dbraw/zinc/85/23/64/1300852364.db2.gz UZHVZIVIAGLCOW-CYBMUJFWSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3COc4ccccc43)C2)cc1 ZINC000855231968 1300852456 /nfs/dbraw/zinc/85/24/56/1300852456.db2.gz PELCMZLDLUHILY-KDOFPFPSSA-N 0 0 338.407 2.566 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000855232702 1300852759 /nfs/dbraw/zinc/85/27/59/1300852759.db2.gz SRUXKXQAJNGWEL-OAHLLOKOSA-N 0 0 342.443 2.655 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3C(C)C)C2)cc1 ZINC000855231165 1300852872 /nfs/dbraw/zinc/85/28/72/1300852872.db2.gz HSOJQUMRPAPWBN-AWEZNQCLSA-N 0 0 342.443 2.561 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(F)c3F)C2)cc1 ZINC000855231645 1300852912 /nfs/dbraw/zinc/85/29/12/1300852912.db2.gz XNIDWPNRLXMUQU-GFCCVEGCSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000855232198 1300852937 /nfs/dbraw/zinc/85/29/37/1300852937.db2.gz QSRWWILWMVBKNA-IUODEOHRSA-N 0 0 342.443 2.534 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COC3CCCCC3)C2)cc1 ZINC000855231670 1300853161 /nfs/dbraw/zinc/85/31/61/1300853161.db2.gz KQVWOCZMXRMJGF-HNNXBMFYSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000855231419 1300853328 /nfs/dbraw/zinc/85/33/28/1300853328.db2.gz MCNBXUCEYVYISW-AWEZNQCLSA-N 0 0 344.436 2.968 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)(C)C)on3)C2)cc1 ZINC000855231133 1300853337 /nfs/dbraw/zinc/85/33/37/1300853337.db2.gz KPKPXNLQDMWRHB-CYBMUJFWSA-N 0 0 343.427 2.989 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000855232173 1300853501 /nfs/dbraw/zinc/85/35/01/1300853501.db2.gz OTKFLVSVIHVNNY-MFKMUULPSA-N 0 0 329.227 2.584 10 10 EFCERN Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c(O)c1O ZINC000855600484 1301029493 /nfs/dbraw/zinc/02/94/93/1301029493.db2.gz KDYZFBDXLMSCMJ-KRWDZBQOSA-N 0 0 343.379 2.993 10 10 EFCERN CCn1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000855613551 1301036287 /nfs/dbraw/zinc/03/62/87/1301036287.db2.gz GMRMAIGMENZRGW-UHFFFAOYSA-N 0 0 337.427 2.564 10 10 EFCERN Cc1ccc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)c(O)c1O ZINC000855849383 1301143529 /nfs/dbraw/zinc/14/35/29/1301143529.db2.gz XZJVRBPKDQFHKQ-HNNXBMFYSA-N 0 0 331.343 2.759 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@H](O)C23CCC3)c(C)n1-c1ccccn1 ZINC000855926890 1301176940 /nfs/dbraw/zinc/17/69/40/1301176940.db2.gz YEPJWUTZTSFKNE-HOTGVXAUSA-N 0 0 325.412 2.522 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCOC2)c1 ZINC000859253529 1301410397 /nfs/dbraw/zinc/41/03/97/1301410397.db2.gz YAIISOXHBVJYSJ-QGZVFWFLSA-N 0 0 326.396 2.815 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000859319063 1301430162 /nfs/dbraw/zinc/43/01/62/1301430162.db2.gz LKTITDPRAMJXLI-INIZCTEOSA-N 0 0 344.455 2.993 10 10 EFCERN COC(=O)c1oc(C(=O)NCCCSc2nccs2)cc1C ZINC000859352808 1301440153 /nfs/dbraw/zinc/44/01/53/1301440153.db2.gz YTJAYOWGTOVORZ-UHFFFAOYSA-N 0 0 340.426 2.743 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000859558711 1301489570 /nfs/dbraw/zinc/48/95/70/1301489570.db2.gz PYWHKABMLLJGTH-JXFKEZNVSA-N 0 0 343.471 2.502 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)C(C)C)cc1 ZINC000860089218 1301695603 /nfs/dbraw/zinc/69/56/03/1301695603.db2.gz BVYVDCPPGSIHHW-IBGZPJMESA-N 0 0 342.439 2.582 10 10 EFCERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189330 1301735301 /nfs/dbraw/zinc/73/53/01/1301735301.db2.gz SCQOQSMVRJMQSV-PTEHBNRSSA-N 0 0 337.391 2.896 10 10 EFCERN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860697438 1301889260 /nfs/dbraw/zinc/88/92/60/1301889260.db2.gz WLYMUVBBAKSHRZ-SJKOYZFVSA-N 0 0 341.407 2.884 10 10 EFCERN CC(C)CCO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000861517153 1302150138 /nfs/dbraw/zinc/15/01/38/1302150138.db2.gz DZTUGOICVRMJAX-QAQDUYKDSA-N 0 0 347.459 2.697 10 10 EFCERN CCC[C@@H](OCC)C(=O)NCc1cc(Br)ccc1O ZINC000861687555 1302190152 /nfs/dbraw/zinc/19/01/52/1302190152.db2.gz SVVPTYIMRPNNHA-CYBMUJFWSA-N 0 0 330.222 2.976 10 10 EFCERN Cc1cc(C(=O)N2CCN(CCCF)CC2)c(C)n1-c1ccccn1 ZINC000862112004 1302287211 /nfs/dbraw/zinc/28/72/11/1302287211.db2.gz WXNVINPZXCZLPP-UHFFFAOYSA-N 0 0 344.434 2.607 10 10 EFCERN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351760 1302343495 /nfs/dbraw/zinc/34/34/95/1302343495.db2.gz SZZKWRIFHFONLB-RDTXWAMCSA-N 0 0 340.414 2.801 10 10 EFCERN CC1(C)CN(Cc2c(O)cccc2Br)[C@@H]2COC[C@H]2O1 ZINC000862402233 1302370390 /nfs/dbraw/zinc/37/03/90/1302370390.db2.gz KDSDLMYQZKVSJV-TZMCWYRMSA-N 0 0 342.233 2.533 10 10 EFCERN CN(C)c1cc(F)c(CN[C@](C)(CO)c2cccc(O)c2)cc1F ZINC000862432632 1302382411 /nfs/dbraw/zinc/38/24/11/1302382411.db2.gz LLOYWEWKYAFPAC-GOSISDBHSA-N 0 0 336.382 2.734 10 10 EFCERN C[C@](CO)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432471 1302383524 /nfs/dbraw/zinc/38/35/24/1302383524.db2.gz FGOJUJHPXQOIDT-MRXNPFEDSA-N 0 0 325.767 2.888 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2COc3cccc(C)c3C2)ccc1[N+](=O)[O-] ZINC000862441608 1302385936 /nfs/dbraw/zinc/38/59/36/1302385936.db2.gz WQIIIWHSWUXHMW-ZDUSSCGKSA-N 0 0 344.367 2.711 10 10 EFCERN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000862486295 1302398406 /nfs/dbraw/zinc/39/84/06/1302398406.db2.gz CKXSXLWXLHHLBI-LBPRGKRZSA-N 0 0 340.217 2.896 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000862650036 1302432337 /nfs/dbraw/zinc/43/23/37/1302432337.db2.gz ASWCMNMZGKOCEL-OALUTQOASA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000862650038 1302432408 /nfs/dbraw/zinc/43/24/08/1302432408.db2.gz ASWCMNMZGKOCEL-RTBURBONSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000862649871 1302432707 /nfs/dbraw/zinc/43/27/07/1302432707.db2.gz JEJQKIKEXAEEJZ-MOPGFXCFSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000862753917 1302449176 /nfs/dbraw/zinc/44/91/76/1302449176.db2.gz LKTZEWPUGVUSGW-UHFFFAOYSA-N 0 0 348.443 2.962 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000862754486 1302450474 /nfs/dbraw/zinc/45/04/74/1302450474.db2.gz ZGNZSKMNFSOGCI-OAHLLOKOSA-N 0 0 346.427 2.930 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000862754485 1302450536 /nfs/dbraw/zinc/45/05/36/1302450536.db2.gz ZGNZSKMNFSOGCI-HNNXBMFYSA-N 0 0 346.427 2.930 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000862760064 1302451814 /nfs/dbraw/zinc/45/18/14/1302451814.db2.gz KQOOUYCBUFLSPK-HZPDHXFCSA-N 0 0 339.391 2.892 10 10 EFCERN Cc1cc(C(=O)Nc2cn(C)c(=O)cc2C)c(C)n1-c1ccccn1 ZINC000119321348 1302554526 /nfs/dbraw/zinc/55/45/26/1302554526.db2.gz CDWDYJOCFHGWOU-UHFFFAOYSA-N 0 0 336.395 2.749 10 10 EFCERN O=C1[C@@H]2c3ccoc3CCN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000863505372 1302636508 /nfs/dbraw/zinc/63/65/08/1302636508.db2.gz LLEBUYTXWKMAIY-SFHVURJKSA-N 0 0 349.390 2.717 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000863505405 1302636520 /nfs/dbraw/zinc/63/65/20/1302636520.db2.gz MZKRMCONCRJQMN-QGZVFWFLSA-N 0 0 339.395 2.716 10 10 EFCERN O=C([O-])[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000864524376 1302960693 /nfs/dbraw/zinc/96/06/93/1302960693.db2.gz FJQJCURJRRZUHT-IBGZPJMESA-N 0 0 332.444 2.648 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C3CC4(CSC4)C3)CC2)cc1 ZINC000864949461 1303096575 /nfs/dbraw/zinc/09/65/75/1303096575.db2.gz JWMBJZQSTJZBBI-UHFFFAOYSA-N 0 0 346.496 2.877 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCO1 ZINC000864984080 1303110360 /nfs/dbraw/zinc/11/03/60/1303110360.db2.gz FNRRZVLQIAFRLP-SFHVURJKSA-N 0 0 346.471 2.735 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000865018541 1303122752 /nfs/dbraw/zinc/12/27/52/1303122752.db2.gz MHVSRIQWVXKFON-HZPDHXFCSA-N 0 0 339.439 2.899 10 10 EFCERN C[C@@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000865018021 1303123097 /nfs/dbraw/zinc/12/30/97/1303123097.db2.gz GDGMUFRPHVEKOI-CQSZACIVSA-N 0 0 346.496 2.844 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(CC(C)C)CCNC1=O ZINC000865027462 1303126427 /nfs/dbraw/zinc/12/64/27/1303126427.db2.gz QNMRPTHHSJVMNY-HXUWFJFHSA-N 0 0 345.487 2.654 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnn2c1CCCC2 ZINC000865027187 1303126639 /nfs/dbraw/zinc/12/66/39/1303126639.db2.gz IWNWHYBAQSXIPD-UHFFFAOYSA-N 0 0 340.471 2.877 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ncn2)cc1F ZINC000865051618 1303139762 /nfs/dbraw/zinc/13/97/62/1303139762.db2.gz PYKLTLRXDJXWPI-UHFFFAOYSA-N 0 0 342.296 2.631 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001278288491 1313902437 /nfs/dbraw/zinc/90/24/37/1313902437.db2.gz LRTMRNXPASXOFP-RBUKOAKNSA-N 0 0 346.471 2.938 10 10 EFCERN CCc1nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000794852913 1303330025 /nfs/dbraw/zinc/33/00/25/1303330025.db2.gz HGKDZUJYHKFKIW-UHFFFAOYSA-N 0 0 343.427 2.654 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000865686837 1303366678 /nfs/dbraw/zinc/36/66/78/1303366678.db2.gz TVFUWGMJLAMQIY-ONEGZZNKSA-N 0 0 341.459 2.568 10 10 EFCERN CCO[C@@H]1COCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000865785009 1303400322 /nfs/dbraw/zinc/40/03/22/1303400322.db2.gz LNTJVIVNKLFKHI-QWHCGFSZSA-N 0 0 344.502 2.573 10 10 EFCERN COc1ccc(N2CC[C@H](CNc3nc4cnccc4n3C)C2)cc1 ZINC000865888208 1303441812 /nfs/dbraw/zinc/44/18/12/1303441812.db2.gz IXFJQOQDTCUPCG-CQSZACIVSA-N 0 0 337.427 2.915 10 10 EFCERN C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000865903381 1303447979 /nfs/dbraw/zinc/44/79/79/1303447979.db2.gz QFVYAQFWDXFTFH-DOMZBBRYSA-N 0 0 326.400 2.723 10 10 EFCERN Cn1c2ccncc2nc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000865952654 1303466703 /nfs/dbraw/zinc/46/67/03/1303466703.db2.gz OTILXZPPEALYES-UHFFFAOYSA-N 0 0 337.427 2.542 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953216 1303466922 /nfs/dbraw/zinc/46/69/22/1303466922.db2.gz DWCPLGAMUJJFCZ-ZVEHZALQSA-N 0 0 342.483 2.804 10 10 EFCERN C[C@H](O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000865953105 1303466994 /nfs/dbraw/zinc/46/69/94/1303466994.db2.gz WQKWQEGNUQQZKD-AWEZNQCLSA-N 0 0 327.428 2.708 10 10 EFCERN CN(C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000866028868 1303495170 /nfs/dbraw/zinc/49/51/70/1303495170.db2.gz JIQUJXRIJWPLKL-QIAWRQBBSA-N 0 0 348.447 2.586 10 10 EFCERN COCC1(C2CC2)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866055972 1303506254 /nfs/dbraw/zinc/50/62/54/1303506254.db2.gz CIYXYSARMUPQRU-YWEYNIOJSA-N 0 0 346.383 2.644 10 10 EFCERN CC[C@]1(O)CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866067259 1303510890 /nfs/dbraw/zinc/51/08/90/1303510890.db2.gz VHEOONTYZQZEGO-JKNJVXJCSA-N 0 0 334.372 2.522 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000866418646 1303632046 /nfs/dbraw/zinc/63/20/46/1303632046.db2.gz OXIIRELLRGHKPE-CYBMUJFWSA-N 0 0 332.416 2.560 10 10 EFCERN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866441972 1303640993 /nfs/dbraw/zinc/64/09/93/1303640993.db2.gz BFMPMFPZGJCXDW-LDWIPMOCSA-N 0 0 342.155 2.961 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)cc1F ZINC000866459315 1303647969 /nfs/dbraw/zinc/64/79/69/1303647969.db2.gz LCLHQAZVHPNZMB-DTZQCDIJSA-N 0 0 332.419 2.775 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1[O-] ZINC000866531343 1303674684 /nfs/dbraw/zinc/67/46/84/1303674684.db2.gz GWZYXRDDINGTED-AAEUAGOBSA-N 0 0 327.371 2.907 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000866538600 1303678395 /nfs/dbraw/zinc/67/83/95/1303678395.db2.gz TWPYTYYAPVQMJT-CQSZACIVSA-N 0 0 346.443 2.998 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)OCCC(F)(F)F ZINC000866583267 1303697383 /nfs/dbraw/zinc/69/73/83/1303697383.db2.gz PZAQSNIMEAENRV-UHFFFAOYSA-N 0 0 332.322 2.702 10 10 EFCERN COc1ccc(O)c(CNC(=O)Cc2c(C)cc(N(C)C)cc2C)c1 ZINC000866766944 1303784041 /nfs/dbraw/zinc/78/40/41/1303784041.db2.gz FTOAYYKTODLMMK-UHFFFAOYSA-N 0 0 342.439 2.943 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cn3cc(C)sc3n2)c1 ZINC000866765697 1303784075 /nfs/dbraw/zinc/78/40/75/1303784075.db2.gz ZASJJQREXQRTLQ-NSHDSACASA-N 0 0 345.424 2.838 10 10 EFCERN CN(Cc1ccccc1O)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000866834011 1303810447 /nfs/dbraw/zinc/81/04/47/1303810447.db2.gz HOUSYVRZFJLRJE-UHFFFAOYSA-N 0 0 342.804 2.732 10 10 EFCERN O=S(=O)(C[C@@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000867690234 1303911708 /nfs/dbraw/zinc/91/17/08/1303911708.db2.gz DTTOVSNHMISIRH-LBPRGKRZSA-N 0 0 331.384 2.863 10 10 EFCERN O=S(=O)(c1ccc(OC2CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000867691283 1303911954 /nfs/dbraw/zinc/91/19/54/1303911954.db2.gz UVTUWNXQCMRYEA-UHFFFAOYSA-N 0 0 331.393 2.638 10 10 EFCERN CCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000867690208 1303912140 /nfs/dbraw/zinc/91/21/40/1303912140.db2.gz CUPSRKYBAVRTFA-UHFFFAOYSA-N 0 0 333.409 2.804 10 10 EFCERN C[C@@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccccc1O ZINC000867835304 1303977965 /nfs/dbraw/zinc/97/79/65/1303977965.db2.gz WHFGPSWXAMOQOT-VXGBXAGGSA-N 0 0 335.429 2.526 10 10 EFCERN CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836162 1303979124 /nfs/dbraw/zinc/97/91/24/1303979124.db2.gz IAVZBRAWKQGLRM-GOEBONIOSA-N 0 0 349.452 2.630 10 10 EFCERN COc1ccccc1OCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000867955152 1304042248 /nfs/dbraw/zinc/04/22/48/1304042248.db2.gz XEOZWYJFNJAHEP-ZDUSSCGKSA-N 0 0 330.384 2.840 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c(O)c1 ZINC000867955518 1304043251 /nfs/dbraw/zinc/04/32/51/1304043251.db2.gz BUDIOEVMVDXNOW-MJGOQNOKSA-N 0 0 341.407 2.807 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000868020182 1304080244 /nfs/dbraw/zinc/08/02/44/1304080244.db2.gz IQMSRSKLLBBIEU-QWHCGFSZSA-N 0 0 343.431 2.832 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000868020181 1304080566 /nfs/dbraw/zinc/08/05/66/1304080566.db2.gz IQMSRSKLLBBIEU-OLZOCXBDSA-N 0 0 343.431 2.832 10 10 EFCERN COCCOc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868105338 1304127188 /nfs/dbraw/zinc/12/71/88/1304127188.db2.gz ZBZDZJFMXFTVPL-AWEZNQCLSA-N 0 0 344.411 2.978 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCOC)c1C ZINC000868108863 1304130622 /nfs/dbraw/zinc/13/06/22/1304130622.db2.gz AMMGHKIBNFWHKG-UHFFFAOYSA-N 0 0 345.443 2.986 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000868113208 1304133706 /nfs/dbraw/zinc/13/37/06/1304133706.db2.gz VRPXYAVJDJVSLC-JAQSECSASA-N 0 0 341.455 2.509 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC12CC2 ZINC000868115623 1304134935 /nfs/dbraw/zinc/13/49/35/1304134935.db2.gz AMUKSTSPQGNPIW-KRWDZBQOSA-N 0 0 347.434 2.794 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000868116465 1304135424 /nfs/dbraw/zinc/13/54/24/1304135424.db2.gz KWZZFVKVGHXNML-KEYYUXOJSA-N 0 0 349.500 2.605 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000868116464 1304135667 /nfs/dbraw/zinc/13/56/67/1304135667.db2.gz KWZZFVKVGHXNML-JKIFEVAISA-N 0 0 349.500 2.605 10 10 EFCERN C[C@H](NC(=O)NC1CCN(CC(F)(F)F)CC1)c1ccccc1O ZINC000868164243 1304164238 /nfs/dbraw/zinc/16/42/38/1304164238.db2.gz NEHDLCVEVRFFOX-NSHDSACASA-N 0 0 345.365 2.779 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1CC2(CSC2)C1 ZINC000868307086 1304234650 /nfs/dbraw/zinc/23/46/50/1304234650.db2.gz NRPKWRHXJQSOQT-UHFFFAOYSA-N 0 0 342.258 2.914 10 10 EFCERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868513582 1304333767 /nfs/dbraw/zinc/33/37/67/1304333767.db2.gz HGJKCPCUSIUZCB-RDBSUJKOSA-N 0 0 349.431 2.619 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)c3ccncc3)C2)cc1 ZINC000868955496 1304547403 /nfs/dbraw/zinc/54/74/03/1304547403.db2.gz LFCGJVVPVDFTBS-CVEARBPZSA-N 0 0 339.439 2.836 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)C3CC4(CSC4)C3)C2)cc1 ZINC000868955753 1304547424 /nfs/dbraw/zinc/54/74/24/1304547424.db2.gz FOMASOWTJSINTM-AWEZNQCLSA-N 0 0 346.496 2.781 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)C2)cc1 ZINC000868955734 1304547819 /nfs/dbraw/zinc/54/78/19/1304547819.db2.gz DXKYKFUNIKCKOW-RMIBSVFLSA-N 0 0 328.456 2.930 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000869004677 1304573008 /nfs/dbraw/zinc/57/30/08/1304573008.db2.gz YDTYDKQLZRTPQM-WRSAYESZSA-N 0 0 348.443 2.966 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCC23CCOCC3)c1 ZINC000869029065 1304582568 /nfs/dbraw/zinc/58/25/68/1304582568.db2.gz TYLIUHZTHDEIPF-ZIAGYGMSSA-N 0 0 348.443 2.968 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000869146672 1304631888 /nfs/dbraw/zinc/63/18/88/1304631888.db2.gz KJZWFHASEZQIGJ-WDEREUQCSA-N 0 0 325.792 2.641 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@H]3CCCn4nccc43)ccc21 ZINC000869219056 1304664796 /nfs/dbraw/zinc/66/47/96/1304664796.db2.gz SDONMYKFXALYND-INIZCTEOSA-N 0 0 339.443 2.600 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCn2nccc21 ZINC000869217582 1304664800 /nfs/dbraw/zinc/66/48/00/1304664800.db2.gz CBHDVCJJBGAWJK-MRXNPFEDSA-N 0 0 340.427 2.802 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C=O)s3)C2)cc1 ZINC000869229549 1304670549 /nfs/dbraw/zinc/67/05/49/1304670549.db2.gz YFTVGKSJACFRTC-GFCCVEGCSA-N 0 0 330.409 2.578 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3[nH]cnc3C(C)(C)C)C2)cc1 ZINC000869229532 1304670866 /nfs/dbraw/zinc/67/08/66/1304670866.db2.gz XWLUJQBQTUHHET-ZDUSSCGKSA-N 0 0 342.443 2.725 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c(OC)c1 ZINC000870166669 1305185910 /nfs/dbraw/zinc/18/59/10/1305185910.db2.gz SGLCZDLULRYQCC-XHSDSOJGSA-N 0 0 344.455 2.789 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C(F)F ZINC000870417422 1305312459 /nfs/dbraw/zinc/31/24/59/1305312459.db2.gz POIAFXVKXLPHLY-GFCCVEGCSA-N 0 0 328.384 2.902 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@@H](C(F)F)CC2)c(C)n1-c1ccccn1 ZINC000870644676 1305464546 /nfs/dbraw/zinc/46/45/46/1305464546.db2.gz PKKOJOYCHULMFH-OAHLLOKOSA-N 0 0 349.381 2.985 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCC1([C@H]2CCCCO2)CCC1 ZINC000871044065 1305764168 /nfs/dbraw/zinc/76/41/68/1305764168.db2.gz DLIYBQOZBIQHGK-BQLWYNFJSA-N 0 0 331.412 2.967 10 10 EFCERN O=C(CCCn1c(=O)oc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871198376 1305885169 /nfs/dbraw/zinc/88/51/69/1305885169.db2.gz IQLCIJZBCNNZBG-UHFFFAOYSA-N 0 0 338.363 2.623 10 10 EFCERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871199604 1305885883 /nfs/dbraw/zinc/88/58/83/1305885883.db2.gz ZKSRRBIEAFGJNZ-AWEZNQCLSA-N 0 0 332.400 2.634 10 10 EFCERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200983 1305888217 /nfs/dbraw/zinc/88/82/17/1305888217.db2.gz OMVRAWWAIRQWHS-CQSZACIVSA-N 0 0 348.468 2.572 10 10 EFCERN COCCOCc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC000871203377 1305888972 /nfs/dbraw/zinc/88/89/72/1305888972.db2.gz ZDEAKFSKBFTVFE-UHFFFAOYSA-N 0 0 345.370 2.850 10 10 EFCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000871203633 1305889389 /nfs/dbraw/zinc/88/93/89/1305889389.db2.gz DINXPNUXJQPZGI-GFCCVEGCSA-N 0 0 346.427 2.737 10 10 EFCERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205404 1305890625 /nfs/dbraw/zinc/89/06/25/1305890625.db2.gz ZRXQUNUPULUHNX-RYUDHWBXSA-N 0 0 334.416 2.784 10 10 EFCERN CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000871206313 1305891234 /nfs/dbraw/zinc/89/12/34/1305891234.db2.gz ZGUWOHBNNUBSDY-INIZCTEOSA-N 0 0 346.427 2.928 10 10 EFCERN CCn1cc(C(=O)N2Cc3cccc(O)c3C2)c(C(F)(F)F)n1 ZINC000871205485 1305891268 /nfs/dbraw/zinc/89/12/68/1305891268.db2.gz UFQJHXGNYLFAMV-UHFFFAOYSA-N 0 0 325.290 2.783 10 10 EFCERN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C(=O)OC(C)(C)C ZINC000871205576 1305891296 /nfs/dbraw/zinc/89/12/96/1305891296.db2.gz HNBYSADUYQJRDV-AWEZNQCLSA-N 0 0 334.416 2.880 10 10 EFCERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1-c1ccn(C)n1 ZINC000871207782 1305892109 /nfs/dbraw/zinc/89/21/09/1305892109.db2.gz TWBLCLVCSSHVKQ-UHFFFAOYSA-N 0 0 336.395 2.689 10 10 EFCERN COC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000900322133 1307967697 /nfs/dbraw/zinc/96/76/97/1307967697.db2.gz BRHBBVSOEDKBHB-UHFFFAOYSA-N 0 0 335.381 2.528 10 10 EFCERN CCC[C@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000900326288 1307977007 /nfs/dbraw/zinc/97/70/07/1307977007.db2.gz MOBTZJKEUCMYPB-INIZCTEOSA-N 0 0 337.397 2.774 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000800650940 1308203947 /nfs/dbraw/zinc/20/39/47/1308203947.db2.gz IZGKJNXCQLHQCJ-ZDUSSCGKSA-N 0 0 343.402 2.536 10 10 EFCERN Cc1cc(COCC(=O)NCc2ccc(N3CCCCC3)cc2)on1 ZINC000801141592 1309217294 /nfs/dbraw/zinc/21/72/94/1309217294.db2.gz NOSJLOPXXOZYOC-UHFFFAOYSA-N 0 0 343.427 2.806 10 10 EFCERN CC(C)C[C@H](NCC(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC000901056180 1309315521 /nfs/dbraw/zinc/31/55/21/1309315521.db2.gz VCRBNQWLDBQPMP-ZDUSSCGKSA-N 0 0 332.366 2.917 10 10 EFCERN O=C([C@H]1C[C@@H]1C(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000801177398 1309334173 /nfs/dbraw/zinc/33/41/73/1309334173.db2.gz RHNLLNFCZYHUAE-IHRRRGAJSA-N 0 0 325.355 2.801 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)c1 ZINC000901129827 1309552753 /nfs/dbraw/zinc/55/27/53/1309552753.db2.gz GNVZDYLEMOCBLK-ZDUSSCGKSA-N 0 0 348.365 2.584 10 10 EFCERN COc1cc(O)ccc1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000901704703 1310909564 /nfs/dbraw/zinc/90/95/64/1310909564.db2.gz ULHRXRLAGCRZRH-UHFFFAOYSA-N 0 0 333.409 2.558 10 10 EFCERN O=C(/C=C\c1cnccn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302263 1311116912 /nfs/dbraw/zinc/11/69/12/1311116912.db2.gz MPRPKJPVHBCVFU-FPLPWBNLSA-N 0 0 342.362 2.838 10 10 EFCERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751531056 1311122611 /nfs/dbraw/zinc/12/26/11/1311122611.db2.gz XKLXPHJWMILIFG-NSHDSACASA-N 0 0 331.368 2.914 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)Nc1nccs1 ZINC000796640502 1311320343 /nfs/dbraw/zinc/32/03/43/1311320343.db2.gz OHPHIIIREULZNG-UHFFFAOYSA-N 0 0 328.191 2.933 10 10 EFCERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O ZINC001159034389 1311438540 /nfs/dbraw/zinc/43/85/40/1311438540.db2.gz UHUOSENFUWNCFO-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC001224863712 1311444017 /nfs/dbraw/zinc/44/40/17/1311444017.db2.gz PYMSSKFXDOMYIQ-NSHDSACASA-N 0 0 345.355 2.869 10 10 EFCERN COC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000802223841 1311479888 /nfs/dbraw/zinc/47/98/88/1311479888.db2.gz BMXFJFWCJBCLEK-SFHVURJKSA-N 0 0 344.455 2.955 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001159565620 1311542478 /nfs/dbraw/zinc/54/24/78/1311542478.db2.gz KYADYRONNYNLDU-HNNXBMFYSA-N 0 0 347.798 2.974 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc(-c2cccs2)ns1 ZINC001160563775 1311738062 /nfs/dbraw/zinc/73/80/62/1311738062.db2.gz SXJAVIBFZLWPAR-UHFFFAOYSA-N 0 0 333.394 2.859 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2c[nH]cc(Cl)c2=O)cc1 ZINC001160593151 1311742974 /nfs/dbraw/zinc/74/29/74/1311742974.db2.gz OGEODJVYAJLZMZ-UHFFFAOYSA-N 0 0 333.819 2.805 10 10 EFCERN Cc1cc(Cl)cc(CNc2cccc(C(=O)NC(N)=O)c2)c1O ZINC000802660656 1311895295 /nfs/dbraw/zinc/89/52/95/1311895295.db2.gz SFXHGERZHPFTAX-UHFFFAOYSA-N 0 0 333.775 2.775 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000802840068 1312068238 /nfs/dbraw/zinc/06/82/38/1312068238.db2.gz RTUWTMQBFHKZJC-NUJGCVRESA-N 0 0 333.428 2.715 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001162278326 1312079208 /nfs/dbraw/zinc/07/92/08/1312079208.db2.gz HEZKGNQOHKSISN-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001162278785 1312079250 /nfs/dbraw/zinc/07/92/50/1312079250.db2.gz MPWGGSCGAQYRAC-RYUDHWBXSA-N 0 0 337.297 2.935 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)nn1-c1ccc(C)cc1 ZINC001162277676 1312079252 /nfs/dbraw/zinc/07/92/52/1312079252.db2.gz BGTHDWYZQBBVPM-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)cc1O ZINC001162279250 1312079265 /nfs/dbraw/zinc/07/92/65/1312079265.db2.gz XLWISGPPLZXOTC-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnccc1Nc1ccccc1 ZINC001162278439 1312079529 /nfs/dbraw/zinc/07/95/29/1312079529.db2.gz HYWHWZJICXMAAK-UHFFFAOYSA-N 0 0 335.363 2.588 10 10 EFCERN CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001229827432 1312146215 /nfs/dbraw/zinc/14/62/15/1312146215.db2.gz IIPIQHJVDHLPJB-MAEOIBBWSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(NCc1ccccc1-n1cccn1)N1Cc2cccc(O)c2C1 ZINC001230570523 1312268028 /nfs/dbraw/zinc/26/80/28/1312268028.db2.gz UGWXEFCMRIARIA-UHFFFAOYSA-N 0 0 334.379 2.803 10 10 EFCERN C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1c([O-])cccc1F ZINC000903149809 1312411469 /nfs/dbraw/zinc/41/14/69/1312411469.db2.gz JPEBGAUMHXYREA-HIFPTAJRSA-N 0 0 329.437 2.785 10 10 EFCERN C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1[O-] ZINC000903153553 1312414288 /nfs/dbraw/zinc/41/42/88/1312414288.db2.gz HHSZADZKSXVXQQ-ZBOXLXRLSA-N 0 0 347.427 2.924 10 10 EFCERN C[C@@H](O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1F ZINC001164553642 1312538233 /nfs/dbraw/zinc/53/82/33/1312538233.db2.gz DVAZOLFRHZRDPI-BMIGLBTASA-N 0 0 344.346 2.840 10 10 EFCERN COC(=O)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165499109 1312638438 /nfs/dbraw/zinc/63/84/38/1312638438.db2.gz WJTMKJANIGWZTQ-UHFFFAOYSA-N 0 0 333.771 2.691 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cn(Cc2cccs2)nn1 ZINC001165498430 1312638780 /nfs/dbraw/zinc/63/87/80/1312638780.db2.gz NLNOXXMMHQTKNZ-UHFFFAOYSA-N 0 0 348.815 2.677 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccccc1Cn1ccnn1 ZINC001165508915 1312640408 /nfs/dbraw/zinc/64/04/08/1312640408.db2.gz YPCCEBZSUFQFKX-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN Cc1nnc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001251660823 1315363325 /nfs/dbraw/zinc/36/33/25/1315363325.db2.gz UDKKSSFCNZCQAW-CYBMUJFWSA-N 0 0 343.431 2.881 10 10 EFCERN Cc1cc(CCNC(=O)N[C@@H]2COC[C@H]2C)c(C)n1-c1ccccc1 ZINC001253808776 1315640448 /nfs/dbraw/zinc/64/04/48/1315640448.db2.gz XSYBPBCTVZMDJS-AUUYWEPGSA-N 0 0 341.455 2.971 10 10 EFCERN Cc1cc(CCNC(=O)N[C@H]2COC[C@H]2C)c(C)n1-c1ccccc1 ZINC001253808778 1315640694 /nfs/dbraw/zinc/64/06/94/1315640694.db2.gz XSYBPBCTVZMDJS-KUHUBIRLSA-N 0 0 341.455 2.971 10 10 EFCERN CCN(CCO)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001254073029 1315671323 /nfs/dbraw/zinc/67/13/23/1315671323.db2.gz FVAASVQPAUVQNY-UHFFFAOYSA-N 0 0 329.444 2.926 10 10 EFCERN COc1ccc(CNC(=O)NCc2cccc3[nH]ccc32)c(O)c1 ZINC001254574746 1315726198 /nfs/dbraw/zinc/72/61/98/1315726198.db2.gz KNIKEFFDMDAOLH-UHFFFAOYSA-N 0 0 325.368 2.882 10 10 EFCERN Cc1noc([C@@H](NC(=O)NCc2cc(Cl)ccc2O)C(C)C)n1 ZINC001256565361 1315959699 /nfs/dbraw/zinc/95/96/99/1315959699.db2.gz UJEIIPLJIOXZMB-ZDUSSCGKSA-N 0 0 338.795 2.934 10 10 EFCERN CN(Cc1nnc(C2CC2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000827336173 1315978306 /nfs/dbraw/zinc/97/83/06/1315978306.db2.gz BKRUPTKUTZHCGJ-UHFFFAOYSA-N 0 0 344.484 2.884 10 10 EFCERN COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C)c1O ZINC000827487965 1315988598 /nfs/dbraw/zinc/98/85/98/1315988598.db2.gz AUPLOJSSFSCEKL-MRXNPFEDSA-N 0 0 327.808 2.508 10 10 EFCERN CN(c1ccc(CNC(=O)[C@@H](N)C(F)(F)F)cc1)C1CCCCC1 ZINC000827821424 1316019812 /nfs/dbraw/zinc/01/98/12/1316019812.db2.gz ZEPZJPNWODHESR-OAHLLOKOSA-N 0 0 343.393 2.961 10 10 EFCERN COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(O)cc3O)c2c1 ZINC001299572954 1316230121 /nfs/dbraw/zinc/23/01/21/1316230121.db2.gz HVHFLRRONAKZIX-UHFFFAOYSA-N 0 0 326.352 2.826 10 10 EFCERN COc1c(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955517 1316256407 /nfs/dbraw/zinc/25/64/07/1316256407.db2.gz JBYCFXVIHORKSO-BJOHPYRUSA-N 0 0 346.330 2.554 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1ccccc1 ZINC001299699613 1316362224 /nfs/dbraw/zinc/36/22/24/1316362224.db2.gz UAIMTKUAVUNRLS-OUKQBFOZSA-N 0 0 339.391 2.997 10 10 EFCERN CN(C)[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001299721630 1316378092 /nfs/dbraw/zinc/37/80/92/1316378092.db2.gz NNSRLUPESGMYCI-SFHVURJKSA-N 0 0 335.407 2.860 10 10 EFCERN O=C(CSCc1ccccn1)NCc1ccc2cccnc2c1O ZINC001299721635 1316378171 /nfs/dbraw/zinc/37/81/71/1316378171.db2.gz NWBZQJSPNKKBIV-UHFFFAOYSA-N 0 0 339.420 2.885 10 10 EFCERN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(OC)c1 ZINC001299721964 1316378286 /nfs/dbraw/zinc/37/82/86/1316378286.db2.gz XOEZNBQVZJPFBG-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2ccccc2O1 ZINC001299723944 1316378632 /nfs/dbraw/zinc/37/86/32/1316378632.db2.gz ACKQSQATBMJKLF-QGZVFWFLSA-N 0 0 334.375 2.950 10 10 EFCERN C[C@](O)(C(=O)NCc1ccc2cccnc2c1O)c1ccc(F)cc1 ZINC001299727026 1316385031 /nfs/dbraw/zinc/38/50/31/1316385031.db2.gz XEIDKSJRLJGJDC-LJQANCHMSA-N 0 0 340.354 2.603 10 10 EFCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001261787997 1316430486 /nfs/dbraw/zinc/43/04/86/1316430486.db2.gz INCFFDGNYKJCHH-BASYENTBSA-N 0 0 331.460 2.898 10 10 EFCERN CC(C)OC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC000586738046 1316550107 /nfs/dbraw/zinc/55/01/07/1316550107.db2.gz UFKBHAVLEYRVGZ-UHFFFAOYSA-N 0 0 331.324 2.621 10 10 EFCERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)CCO1 ZINC001263713298 1316557808 /nfs/dbraw/zinc/55/78/08/1316557808.db2.gz CSQCPGIVPSPCIW-VXGBXAGGSA-N 0 0 329.491 2.834 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@]2(C)OCCc3ccccc32)cc1F ZINC001264827073 1316671641 /nfs/dbraw/zinc/67/16/41/1316671641.db2.gz NMNREPCFVHZGSV-FQEVSTJZSA-N 0 0 342.414 2.996 10 10 EFCERN Cc1cc(CC(=O)Nc2cccc(C(N)=O)n2)c(C)n1-c1ccccc1 ZINC001265436924 1316805872 /nfs/dbraw/zinc/80/58/72/1316805872.db2.gz UFLGZJWKUDWUBY-UHFFFAOYSA-N 0 0 348.406 2.769 10 10 EFCERN CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280189001 1317473137 /nfs/dbraw/zinc/47/31/37/1317473137.db2.gz FPXVWMVDICDPMG-NEPJUHHUSA-N 0 0 347.419 2.662 10 10 EFCERN CCCC(=O)NCCN(CCC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284694047 1320478633 /nfs/dbraw/zinc/47/86/33/1320478633.db2.gz KFHSHXAEYVEOMX-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001306066912 1321609446 /nfs/dbraw/zinc/60/94/46/1321609446.db2.gz CJNPSOVNXICNCE-SECBINFHSA-N 0 0 339.413 2.830 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C\C(C)(C)C)cc1 ZINC000732403013 1321639020 /nfs/dbraw/zinc/63/90/20/1321639020.db2.gz SSMKHGKKZUBIBY-QXMHVHEDSA-N 0 0 332.444 2.857 10 10 EFCERN CCOC(=O)[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001290252753 1321891863 /nfs/dbraw/zinc/89/18/63/1321891863.db2.gz IVSUDUYQISYKCE-SFHVURJKSA-N 0 0 340.423 2.716 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)c[nH]c1=O ZINC001290374511 1321905932 /nfs/dbraw/zinc/90/59/32/1321905932.db2.gz MEAGRDNTEZKGEW-UHFFFAOYSA-N 0 0 329.375 2.799 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC001292064159 1322034322 /nfs/dbraw/zinc/03/43/22/1322034322.db2.gz HCIMJFUNNPHXFG-AWEZNQCLSA-N 0 0 331.343 2.810 10 10 EFCERN Cn1c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2oc1=O ZINC001292716201 1322108696 /nfs/dbraw/zinc/10/86/96/1322108696.db2.gz CJJLJYLKNAEBRM-UHFFFAOYSA-N 0 0 339.311 2.546 10 10 EFCERN CCC[C@H](CC)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001292895226 1322146011 /nfs/dbraw/zinc/14/60/11/1322146011.db2.gz YOTCRIBTLYDHOQ-LBPRGKRZSA-N 0 0 347.419 2.521 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001294681886 1322542707 /nfs/dbraw/zinc/54/27/07/1322542707.db2.gz XWFIIJDYJNAHPH-NTMALXAHSA-N 0 0 328.368 2.536 10 10 EFCERN COc1ccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)cc1F ZINC001294741962 1322552156 /nfs/dbraw/zinc/55/21/56/1322552156.db2.gz MWRQLYCGRMKEGR-UHFFFAOYSA-N 0 0 340.358 2.906 10 10 EFCERN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)c1ccccc1F ZINC001294808643 1322567515 /nfs/dbraw/zinc/56/75/15/1322567515.db2.gz XVEXBNAFGYPRBR-ZBFHGGJFSA-N 0 0 333.359 2.787 10 10 EFCERN COc1cccc(CNC(=O)c2ccn3c2nc(C)cc3C)c1O ZINC001294936577 1322603285 /nfs/dbraw/zinc/60/32/85/1322603285.db2.gz HJXHTKXZHSTKPE-UHFFFAOYSA-N 0 0 325.368 2.595 10 10 EFCERN O=Cc1c(Br)nc2n1CCO/C2=C/c1cn(C2CC2)cn1 ZINC000901576268 1322645721 /nfs/dbraw/zinc/64/57/21/1322645721.db2.gz YNXBGIWZULLVEN-LFYBBSHMSA-N 0 0 349.188 2.518 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)C[C@@H]3C)CC2)cc1 ZINC001295272764 1322669558 /nfs/dbraw/zinc/66/95/58/1322669558.db2.gz PJBXEISCNVWGMH-KXBFYZLASA-N 0 0 344.455 2.739 10 10 EFCERN CCC(CC)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295538560 1322720320 /nfs/dbraw/zinc/72/03/20/1322720320.db2.gz JCJUAQIKQSHWTL-NSHDSACASA-N 0 0 347.419 2.520 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001295793191 1322781307 /nfs/dbraw/zinc/78/13/07/1322781307.db2.gz KKIWNVIULULWGA-BFUOFWGJSA-N 0 0 340.423 2.750 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]nc2ccc(Cl)cc21 ZINC001296246499 1322873014 /nfs/dbraw/zinc/87/30/14/1322873014.db2.gz NADBZZGQRBOCSJ-VIFPVBQESA-N 0 0 345.786 2.989 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]nc2ccc(Cl)cc21 ZINC001296246497 1322873180 /nfs/dbraw/zinc/87/31/80/1322873180.db2.gz NADBZZGQRBOCSJ-SECBINFHSA-N 0 0 345.786 2.989 10 10 EFCERN CCc1ccc([C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001296376513 1322898874 /nfs/dbraw/zinc/89/88/74/1322898874.db2.gz JJTDGKIEIUOZDK-LJQANCHMSA-N 0 0 341.407 2.803 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CN(C(C)C)C2)c1 ZINC001296600261 1322952077 /nfs/dbraw/zinc/95/20/77/1322952077.db2.gz IEPJZJBOMYNJMX-UHFFFAOYSA-N 0 0 339.439 2.729 10 10 EFCERN C[C@H](NC(=O)c1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC001296648453 1322965925 /nfs/dbraw/zinc/96/59/25/1322965925.db2.gz KYECSHPEENVFPC-NSHDSACASA-N 0 0 326.356 2.887 10 10 EFCERN COc1ccc(CNC(=O)c2ncsc2Br)c(O)c1 ZINC001296968781 1323066663 /nfs/dbraw/zinc/06/66/63/1323066663.db2.gz QWGBAGVAOLBOCD-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](CC)OC ZINC001297061575 1323079749 /nfs/dbraw/zinc/07/97/49/1323079749.db2.gz PWIOZWBJGMZFKN-HNNXBMFYSA-N 0 0 348.447 2.582 10 10 EFCERN CCN(C)C(=O)[C@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001297283701 1323148526 /nfs/dbraw/zinc/14/85/26/1323148526.db2.gz QKYAGDISMMYBNL-INIZCTEOSA-N 0 0 341.455 2.999 10 10 EFCERN CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297388226 1323197815 /nfs/dbraw/zinc/19/78/15/1323197815.db2.gz HAJKYPOVQMDTAP-QGZVFWFLSA-N 0 0 332.404 2.862 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1ncc(Cl)cn1 ZINC001297441083 1323218118 /nfs/dbraw/zinc/21/81/18/1323218118.db2.gz SDOIGKIEXHPQOL-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN CN1c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2CC1=O ZINC001297451579 1323221381 /nfs/dbraw/zinc/22/13/81/1323221381.db2.gz OUSCTPXQMIWDMI-UHFFFAOYSA-N 0 0 337.339 2.620 10 10 EFCERN CON1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001297838174 1323355813 /nfs/dbraw/zinc/35/58/13/1323355813.db2.gz XXWYFXXNVDNUSD-UHFFFAOYSA-N 0 0 327.428 2.722 10 10 EFCERN C[C@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CCO1 ZINC001298825272 1323617220 /nfs/dbraw/zinc/61/72/20/1323617220.db2.gz URVLZQDZGODUKG-ZDUSSCGKSA-N 0 0 342.395 2.504 10 10 EFCERN CN(C)Cc1csc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001299040411 1323672492 /nfs/dbraw/zinc/67/24/92/1323672492.db2.gz HVOOQDRYLIMKDV-UHFFFAOYSA-N 0 0 332.389 2.619 10 10 EFCERN Cc1csc(NCCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001299091305 1323687987 /nfs/dbraw/zinc/68/79/87/1323687987.db2.gz ZJNFYPMWKYFINS-UHFFFAOYSA-N 0 0 349.437 2.919 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001299830544 1323708796 /nfs/dbraw/zinc/70/87/96/1323708796.db2.gz UOUVLSDQSBXDFI-UTCJRWHESA-N 0 0 349.289 2.749 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCc2nc(-c3ccoc3)no2)c1 ZINC001301047025 1324520001 /nfs/dbraw/zinc/52/00/01/1324520001.db2.gz QDOBFPGQQQMGBI-UHFFFAOYSA-N 0 0 327.340 2.593 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCn2nccc2C1 ZINC001301155442 1324526043 /nfs/dbraw/zinc/52/60/43/1324526043.db2.gz BWXQMXBKBQCJEZ-UHFFFAOYSA-N 0 0 348.406 2.759 10 10 EFCERN C[C@@H](NC(=O)c1ccc(Br)[nH]c1=O)c1ccccc1O ZINC001302532673 1324579888 /nfs/dbraw/zinc/57/98/88/1324579888.db2.gz OIWJZEJUQBTYCX-MRVPVSSYSA-N 0 0 337.173 2.746 10 10 EFCERN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001302532381 1324580028 /nfs/dbraw/zinc/58/00/28/1324580028.db2.gz ACAQRHLUOPEMHQ-AWEZNQCLSA-N 0 0 347.436 2.742 10 10 EFCERN C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1O ZINC001302532399 1324580192 /nfs/dbraw/zinc/58/01/92/1324580192.db2.gz AVOVDFUWEUEWGS-MRVPVSSYSA-N 0 0 337.173 2.746 10 10 EFCERN O=C(CCn1sc2ccccc2c1=O)N1Cc2cccc(O)c2C1 ZINC001302786855 1324587029 /nfs/dbraw/zinc/58/70/29/1324587029.db2.gz JVPOCHLJPHCCFM-UHFFFAOYSA-N 0 0 340.404 2.701 10 10 EFCERN Cc1sc(Br)nc1C(=O)NCc1cc(O)ccc1O ZINC001303226070 1324599175 /nfs/dbraw/zinc/59/91/75/1324599175.db2.gz VDRAFUCZJDOKAZ-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN COc1cccc(C(=O)CCCC(=O)NCc2cc(O)ccc2O)c1 ZINC001303225301 1324599342 /nfs/dbraw/zinc/59/93/42/1324599342.db2.gz FVMKZPUVECJKNH-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1c(O)cccc1F ZINC001303876411 1324624295 /nfs/dbraw/zinc/62/42/95/1324624295.db2.gz ZYTKPDZYSAPIGR-UHFFFAOYSA-N 0 0 328.265 2.804 10 10 EFCERN COC(=O)[C@H](CNC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001303946086 1324627464 /nfs/dbraw/zinc/62/74/64/1324627464.db2.gz RIFRUNXCMZTZGQ-CQSZACIVSA-N 0 0 335.400 2.587 10 10 EFCERN COc1ccc(COCCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001304053113 1324634673 /nfs/dbraw/zinc/63/46/73/1324634673.db2.gz CRPBODIRTBDCPQ-UHFFFAOYSA-N 0 0 345.395 2.720 10 10 EFCERN O=C(Cc1csc(-c2ccoc2)n1)NCc1c(O)cccc1O ZINC001304053367 1324635435 /nfs/dbraw/zinc/63/54/35/1324635435.db2.gz JCSBQXQKJGCKAU-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000748795182 1324636191 /nfs/dbraw/zinc/63/61/91/1324636191.db2.gz WNUVSZPDGAEDTQ-GQCTYLIASA-N 0 0 341.367 2.855 10 10 EFCERN O=C(NC1(c2ccccc2)COC1)c1cc2cc(O)c(O)cc2s1 ZINC001304175359 1324643504 /nfs/dbraw/zinc/64/35/04/1324643504.db2.gz FWMVDOPRMLDKLU-UHFFFAOYSA-N 0 0 341.388 2.968 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC12CCOCC2 ZINC001304794638 1324662369 /nfs/dbraw/zinc/66/23/69/1324662369.db2.gz MOWAUJJWYOVGRS-INIZCTEOSA-N 0 0 342.443 2.745 10 10 EFCERN Cc1nnc(Nc2cnn(C)c2)n1CCCSc1nccs1 ZINC001304872287 1324667435 /nfs/dbraw/zinc/66/74/35/1324667435.db2.gz JOVHHYQPBKMKMC-UHFFFAOYSA-N 0 0 335.462 2.703 10 10 EFCERN Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1ccccn1 ZINC001305069905 1324671502 /nfs/dbraw/zinc/67/15/02/1324671502.db2.gz UKFCROCHPOKSOI-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254848 1324676205 /nfs/dbraw/zinc/67/62/05/1324676205.db2.gz PKDVAPCEDKHQQG-UHFFFAOYSA-N 0 0 334.485 2.861 10 10 EFCERN CO[C@@H](C)c1nsc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001306841246 1324723992 /nfs/dbraw/zinc/72/39/92/1324723992.db2.gz SGWWVEKDGRZQDR-ZETCQYMHSA-N 0 0 334.361 2.660 10 10 EFCERN O=C([O-])[C@H]1CSCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000901890914 1324759150 /nfs/dbraw/zinc/75/91/50/1324759150.db2.gz LTBYSWGPZZQQDJ-MRXNPFEDSA-N 0 0 334.485 2.927 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000901911809 1324759484 /nfs/dbraw/zinc/75/94/84/1324759484.db2.gz NMQABJXLOJKYKF-CRAIPNDOSA-N 0 0 334.460 2.987 10 10 EFCERN COc1ccc(N2CCC([NH2+]Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000901956293 1324761999 /nfs/dbraw/zinc/76/19/99/1324761999.db2.gz BAHSJEUEHUJKAD-UHFFFAOYSA-N 0 0 330.384 2.745 10 10 EFCERN CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000901967479 1324762983 /nfs/dbraw/zinc/76/29/83/1324762983.db2.gz XOOFLOCZIUJMBJ-CGXNLCPXSA-N 0 0 342.361 2.961 10 10 EFCERN O=C1OC(C2=S=CC=C2)=N/C1=C\c1cnc(-c2ccncc2)s1 ZINC000753133035 1324775332 /nfs/dbraw/zinc/77/53/32/1324775332.db2.gz LCISDFYVRSRNRD-WQLSENKSSA-N 0 0 339.401 2.779 10 10 EFCERN Cc1cc(C[N@@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022496 1324790025 /nfs/dbraw/zinc/79/00/25/1324790025.db2.gz NIFRHRPJSJEFHE-INIZCTEOSA-N 0 0 343.393 2.704 10 10 EFCERN C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903223159 1324826292 /nfs/dbraw/zinc/82/62/92/1324826292.db2.gz VXNIIUPLYOJGOD-SNVBAGLBSA-N 0 0 336.417 2.669 10 10 EFCERN CCC[C@H](O)CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001312885516 1324998716 /nfs/dbraw/zinc/99/87/16/1324998716.db2.gz QGCORDNVHMNJQY-YJBOKZPZSA-N 0 0 335.492 2.842 10 10 EFCERN Cc1ncoc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001313388135 1325013275 /nfs/dbraw/zinc/01/32/75/1325013275.db2.gz IWBYZZUVAHIILU-UHFFFAOYSA-N 0 0 328.416 2.925 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@@H](OC)C2)cc1 ZINC001313674950 1325023952 /nfs/dbraw/zinc/02/39/52/1325023952.db2.gz WTPCDOIBTUTNBJ-GOSISDBHSA-N 0 0 343.475 2.706 10 10 EFCERN CN1CCN(c2ccc(CN[C@H]3CCCC3(F)F)cc2F)CC1 ZINC001323456856 1329544570 /nfs/dbraw/zinc/54/45/70/1329544570.db2.gz YGGGGPOFQFSVPU-INIZCTEOSA-N 0 0 327.394 2.855 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC001324753578 1329656110 /nfs/dbraw/zinc/65/61/10/1329656110.db2.gz ZZVCOSAOKUXFMY-KRWDZBQOSA-N 0 0 348.487 2.921 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCCC1(C)C ZINC001326019532 1329730221 /nfs/dbraw/zinc/73/02/21/1329730221.db2.gz LDKZSSQYNAIKQH-HNNXBMFYSA-N 0 0 345.487 2.509 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(C2CC2)nn1C ZINC001326692725 1330348880 /nfs/dbraw/zinc/34/88/80/1330348880.db2.gz CAOXPGKCWYGDBU-UHFFFAOYSA-N 0 0 341.415 2.794 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@](O)(C(F)F)C2)cc1 ZINC001326705619 1330350582 /nfs/dbraw/zinc/35/05/82/1330350582.db2.gz ADTHQJRMMCLSMM-GOSISDBHSA-N 0 0 334.366 2.936 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)Nc3c4nonc4ccc3Cl)c2C1 ZINC001327133288 1330426214 /nfs/dbraw/zinc/42/62/14/1330426214.db2.gz DQQCGQDRQNJWBD-MRVPVSSYSA-N 0 0 331.763 2.907 10 10 EFCERN Oc1cc(Br)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001327816479 1330518349 /nfs/dbraw/zinc/51/83/49/1330518349.db2.gz TZNVZBHHDSORIG-ODOQXGPZSA-N 0 0 326.234 2.748 10 10 EFCERN Cc1cc(C)cc(CN(C)C(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC001328336740 1330586234 /nfs/dbraw/zinc/58/62/34/1330586234.db2.gz JXBGIQYRYRSRIJ-UHFFFAOYSA-N 0 0 340.423 2.626 10 10 EFCERN Cn1nccc1[C@H]1COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001328669728 1330613747 /nfs/dbraw/zinc/61/37/47/1330613747.db2.gz FNSZQWBCIMRZKJ-LJQANCHMSA-N 0 0 326.444 2.594 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](OCC)C(C)C)CC2)cc1 ZINC001328993478 1330654117 /nfs/dbraw/zinc/65/41/17/1330654117.db2.gz XVTMJWUBOXWFDQ-GOSISDBHSA-N 0 0 334.460 2.795 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C1CCC1)C1CCC1 ZINC001329238482 1330684489 /nfs/dbraw/zinc/68/44/89/1330684489.db2.gz JMWCHMMKHISUBA-UHFFFAOYSA-N 0 0 344.455 2.683 10 10 EFCERN O=C(C(=O)N1CCC[C@@]2(CC=CCC2)C1)N1Cc2cccc(O)c2C1 ZINC001329422724 1330705696 /nfs/dbraw/zinc/70/56/96/1330705696.db2.gz QLNQHUGGAWDIJD-FQEVSTJZSA-N 0 0 340.423 2.583 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)CCC(F)(F)F)C2)cc1 ZINC001329877772 1330745595 /nfs/dbraw/zinc/74/55/95/1330745595.db2.gz IVEVUFIGVMAKRJ-GFCCVEGCSA-N 0 0 345.365 2.868 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](C(C)C)C1 ZINC001330922249 1330770866 /nfs/dbraw/zinc/77/08/66/1330770866.db2.gz IRJWXOYNBWHNCE-KRWDZBQOSA-N 0 0 345.487 2.606 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnoc3C3CC3)C2)cc1 ZINC001331228529 1330807752 /nfs/dbraw/zinc/80/77/52/1330807752.db2.gz FJOJDQVRJODRFA-CYBMUJFWSA-N 0 0 327.384 2.569 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cncc(F)c1Cl ZINC001331598183 1330858492 /nfs/dbraw/zinc/85/84/92/1330858492.db2.gz SKBARSCVUILSID-UHFFFAOYSA-N 0 0 349.793 2.641 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001331981683 1330900468 /nfs/dbraw/zinc/90/04/68/1330900468.db2.gz IHQLCFHJNKXNPU-QGZUEGPWSA-N 0 0 331.441 2.508 10 10 EFCERN Cc1cc(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(C)n1-c1ccccn1 ZINC001332185521 1330936678 /nfs/dbraw/zinc/93/66/78/1330936678.db2.gz AZZHXMDXOUIASF-WMRANVBESA-N 0 0 337.423 2.642 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)Nc1nc2c(s1)COCC2 ZINC001333360999 1331125189 /nfs/dbraw/zinc/12/51/89/1331125189.db2.gz QGQOROXFHDIJBJ-UHFFFAOYSA-N 0 0 339.804 2.897 10 10 EFCERN CO[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@](C)(CO)C1 ZINC001335783005 1331401789 /nfs/dbraw/zinc/40/17/89/1331401789.db2.gz IKOFXMYWTKGOID-UYAOXDASSA-N 0 0 342.439 2.706 10 10 EFCERN COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001336157684 1331441175 /nfs/dbraw/zinc/44/11/75/1331441175.db2.gz RHZDLGMYAKHZDN-RUGXIKGKSA-N 0 0 331.343 2.754 10 10 EFCERN CCOC(=O)C[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001338386214 1331701674 /nfs/dbraw/zinc/70/16/74/1331701674.db2.gz SJFRYIIYAMJQIC-LLVKDONJSA-N 0 0 349.408 2.870 10 10 EFCERN C[C@H]1CCc2nc(/C=C3\SC(N4CCOCC4)=NC3=O)sc2C1 ZINC001341419057 1332258776 /nfs/dbraw/zinc/25/87/76/1332258776.db2.gz DMCZUCAVLLKTDG-AVMBBCFPSA-N 0 0 349.481 2.570 10 10 EFCERN O=C1C=CSC1c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1CC1CC1 ZINC001346099786 1332599170 /nfs/dbraw/zinc/59/91/70/1332599170.db2.gz OXQMCRXYDUUPLH-TXEJJXNPSA-N 0 0 348.497 2.921 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc2nsnc21 ZINC001346973257 1332708588 /nfs/dbraw/zinc/70/85/88/1332708588.db2.gz SHJOPTITLCDPBK-UHFFFAOYSA-N 0 0 348.424 2.742 10 10 EFCERN Cc1nn(C2CCOCC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001347223771 1332725190 /nfs/dbraw/zinc/72/51/90/1332725190.db2.gz YMCMPXHWAPODMG-HWKANZROSA-N 0 0 343.383 2.606 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001347470660 1332748034 /nfs/dbraw/zinc/74/80/34/1332748034.db2.gz CSBZPFIRCUBWAJ-ICSRJNTNSA-N 0 0 346.471 2.796 10 10 EFCERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001347558255 1332755556 /nfs/dbraw/zinc/75/55/56/1332755556.db2.gz CCIXPRJFUMVQAR-ZIAGYGMSSA-N 0 0 333.476 2.871 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C(C)C)[nH]3)C2)cc1 ZINC001347819203 1332775277 /nfs/dbraw/zinc/77/52/77/1332775277.db2.gz UWWSFBXTIVSZOY-CYBMUJFWSA-N 0 0 328.416 2.550 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@H]2C)c1 ZINC001347852867 1332778193 /nfs/dbraw/zinc/77/81/93/1332778193.db2.gz XXPYTOAKEOHOBF-IJEWVQPXSA-N 0 0 342.443 2.985 10 10 EFCERN O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N1Cc2cccc(O)c2C1 ZINC001348044500 1332795199 /nfs/dbraw/zinc/79/51/99/1332795199.db2.gz DBYHWYBGDNJFMM-ZDUSSCGKSA-N 0 0 346.333 2.699 10 10 EFCERN Cc1nc(C2CCC2)sc1CC(=O)NCc1cccc(O)c1O ZINC001348045623 1332795351 /nfs/dbraw/zinc/79/53/51/1332795351.db2.gz FNNXYLQSPFKKEZ-UHFFFAOYSA-N 0 0 332.425 2.989 10 10 EFCERN COC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC001348044740 1332795580 /nfs/dbraw/zinc/79/55/80/1332795580.db2.gz JUSIBAJYEDZELC-MRXNPFEDSA-N 0 0 330.359 2.944 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1 ZINC001348563526 1332849330 /nfs/dbraw/zinc/84/93/30/1332849330.db2.gz RTYDSCSBYVYGHH-HDMKZQKVSA-N 0 0 332.444 2.547 10 10 EFCERN COCC[C@@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 ZINC001349715160 1332989197 /nfs/dbraw/zinc/98/91/97/1332989197.db2.gz XEOPAFWZULIGPX-KIUWMYQTSA-N 0 0 325.412 2.990 10 10 EFCERN COc1ccc(C[C@H](C)C(=O)NCc2cccc(O)c2O)cc1OC ZINC001350299638 1333060356 /nfs/dbraw/zinc/06/03/56/1333060356.db2.gz GURWPKLNFOVITO-LBPRGKRZSA-N 0 0 345.395 2.610 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)c1c[nH]cn1 ZINC001350417814 1333078906 /nfs/dbraw/zinc/07/89/06/1333078906.db2.gz DITWAVILTRXFRM-SFHVURJKSA-N 0 0 338.411 2.589 10 10 EFCERN CO[C@@H]1CC[C@@H]1N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350548214 1333095730 /nfs/dbraw/zinc/09/57/30/1333095730.db2.gz YEIYOQVVVKIANF-WCQYABFASA-N 0 0 334.445 2.736 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)nc(C)c3)C2)cc1 ZINC001350551950 1333095989 /nfs/dbraw/zinc/09/59/89/1333095989.db2.gz BOFAZHPQBYUPTM-OAHLLOKOSA-N 0 0 340.427 2.529 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C3CCC2(CO)CC3)cc1F ZINC001350876880 1333145425 /nfs/dbraw/zinc/14/54/25/1333145425.db2.gz SYDXCOSRSBNTLQ-UHFFFAOYSA-N 0 0 349.450 2.871 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2([C@H]3CCCO3)CCC2)cc1F ZINC001350881158 1333146635 /nfs/dbraw/zinc/14/66/35/1333146635.db2.gz JQGQGJNJLVRHKV-MRXNPFEDSA-N 0 0 335.423 2.793 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001350981043 1333162553 /nfs/dbraw/zinc/16/25/53/1333162553.db2.gz RXQAFNQSPWXLPA-CHWSQXEVSA-N 0 0 341.502 2.836 10 10 EFCERN CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2=CC(=O)CS2)C2(CC2)C1 ZINC001351058658 1333173787 /nfs/dbraw/zinc/17/37/87/1333173787.db2.gz ZNRFURROOICJLV-LBPRGKRZSA-N 0 0 338.429 2.583 10 10 EFCERN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2=CC(=O)CS2)C2(CC2)C1 ZINC001351058655 1333174036 /nfs/dbraw/zinc/17/40/36/1333174036.db2.gz ZNRFURROOICJLV-GFCCVEGCSA-N 0 0 338.429 2.583 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3cnn(C)c3)o2)cc1F ZINC001351738541 1333278261 /nfs/dbraw/zinc/27/82/61/1333278261.db2.gz OVUPQAGLYTYDEA-UHFFFAOYSA-N 0 0 342.374 2.815 10 10 EFCERN c1cc(N2CCCC2)ccc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC001351783397 1333286644 /nfs/dbraw/zinc/28/66/44/1333286644.db2.gz MBPKFGRPHGSDKG-UHFFFAOYSA-N 0 0 341.459 2.589 10 10 EFCERN C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351817824 1333291436 /nfs/dbraw/zinc/29/14/36/1333291436.db2.gz ZTCJKZYOOZJQHV-GFCCVEGCSA-N 0 0 342.370 2.593 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000847249425 1333442566 /nfs/dbraw/zinc/44/25/66/1333442566.db2.gz FWSSFUQXGJSRKC-YPMHNXCESA-N 0 0 332.322 2.691 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000847278047 1333471893 /nfs/dbraw/zinc/47/18/93/1333471893.db2.gz XIZJPQDPTKMEKO-QZTJIDSGSA-N 0 0 331.460 2.900 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847381649 1333634846 /nfs/dbraw/zinc/63/48/46/1333634846.db2.gz QVTKIOWNBXLKPC-SSZFMOIBSA-N 0 0 337.423 2.638 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1ncc2cccnc21 ZINC001352626787 1333638982 /nfs/dbraw/zinc/63/89/82/1333638982.db2.gz ORTZERUVFFLACI-UHFFFAOYSA-N 0 0 349.438 2.690 10 10 EFCERN COc1cnc(F)c(C(=O)NCCCSc2nccs2)c1 ZINC000847487680 1333792079 /nfs/dbraw/zinc/79/20/79/1333792079.db2.gz HUOGVSUIQNTJCG-UHFFFAOYSA-N 0 0 327.406 2.598 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@](C)(CC)CO ZINC000847572865 1333930839 /nfs/dbraw/zinc/93/08/39/1333930839.db2.gz WPFFQHRGIUVVAX-HNNXBMFYSA-N 0 0 344.249 2.912 10 10 EFCERN Cc1cc(CC(=O)NC2(c3ncon3)CC2)c(C)n1-c1ccccc1 ZINC001353133110 1333950812 /nfs/dbraw/zinc/95/08/12/1333950812.db2.gz PMZIVTIHOZWIDY-UHFFFAOYSA-N 0 0 336.395 2.825 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC000847590903 1333962309 /nfs/dbraw/zinc/96/23/09/1333962309.db2.gz KHQJKUSUICZRQE-UHFFFAOYSA-N 0 0 345.273 2.865 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848347405 1334680999 /nfs/dbraw/zinc/68/09/99/1334680999.db2.gz QELAAYJXJRSYRU-CAMLPZEUSA-N 0 0 345.317 2.727 10 10 EFCERN Cc1ccnn1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355288475 1334730661 /nfs/dbraw/zinc/73/06/61/1334730661.db2.gz SWEADWFNNYQMBQ-UHFFFAOYSA-N 0 0 332.367 2.540 10 10 EFCERN O=C(/C=C\[C@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355287675 1334730680 /nfs/dbraw/zinc/73/06/80/1334730680.db2.gz LFOBXOWBAXCTJD-DANTVBBOSA-N 0 0 334.379 2.928 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848562062 1334795945 /nfs/dbraw/zinc/79/59/45/1334795945.db2.gz GQSTZGACPBKDOZ-OICCZTGUSA-N 0 0 327.432 2.525 10 10 EFCERN O=C1O[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1C1CC1 ZINC000848578077 1334804514 /nfs/dbraw/zinc/80/45/14/1334804514.db2.gz NOPYTZSUAVRUTI-NSHDSACASA-N 0 0 331.199 2.772 10 10 EFCERN CCc1cccc(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1O ZINC000848914967 1334982958 /nfs/dbraw/zinc/98/29/58/1334982958.db2.gz PQVPGQGECXCEPX-ZDUSSCGKSA-N 0 0 345.468 2.758 10 10 EFCERN COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000848926751 1334991528 /nfs/dbraw/zinc/99/15/28/1334991528.db2.gz XXQLFEIGQLKAEM-LBPRGKRZSA-N 0 0 326.393 2.850 10 10 EFCERN COc1cc(O)c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1OC ZINC000848927598 1334992198 /nfs/dbraw/zinc/99/21/98/1334992198.db2.gz IQOYNIQCCUGNMP-IAQYHMDHSA-N 0 0 349.349 2.999 10 10 EFCERN CCOC(=O)CN(C(=O)/C=C(/C)c1cnccn1)c1ccc(F)cc1 ZINC001356461625 1335039339 /nfs/dbraw/zinc/03/93/39/1335039339.db2.gz SWYONHNLZGJIGE-RAXLEYEMSA-N 0 0 343.358 2.615 10 10 EFCERN C=CC(=O)Nc1cccc(C(=O)C(=O)CC(C)(C)CC(=O)OCC)c1 ZINC000935943594 1335463800 /nfs/dbraw/zinc/46/38/00/1335463800.db2.gz ALOIPSCUNQRVIM-UHFFFAOYSA-N 0 0 345.395 2.932 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C2CC2)[nH]c1=O ZINC000935943596 1335463811 /nfs/dbraw/zinc/46/38/11/1335463811.db2.gz APQCNHXCLYLHJZ-UHFFFAOYSA-N 0 0 333.384 2.786 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Br)c[nH]1 ZINC000935946459 1335464572 /nfs/dbraw/zinc/46/45/72/1335464572.db2.gz HVVSBVASJJTIEF-UHFFFAOYSA-N 0 0 344.205 2.899 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccccn2)no1 ZINC000935947744 1335465204 /nfs/dbraw/zinc/46/52/04/1335465204.db2.gz DWANXDZJCFAJKG-UHFFFAOYSA-N 0 0 344.367 2.858 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3)C2)cc1 ZINC000849225465 1335571791 /nfs/dbraw/zinc/57/17/91/1335571791.db2.gz VDIBETXAHRDDOY-INIZCTEOSA-N 0 0 325.412 2.773 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=S)NCc3ccccc3)C2)cc1 ZINC000849271962 1335585016 /nfs/dbraw/zinc/58/50/16/1335585016.db2.gz YEMOIOAISJGQGU-INIZCTEOSA-N 0 0 341.480 2.938 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H]2CCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000849351906 1335596858 /nfs/dbraw/zinc/59/68/58/1335596858.db2.gz FHZJQUTXGICWID-AWEZNQCLSA-N 0 0 329.356 2.668 10 10 EFCERN CCCN1C(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C(=O)[C@@H]1CC ZINC000849357885 1335598063 /nfs/dbraw/zinc/59/80/63/1335598063.db2.gz QKNBWVSKGDVLJY-RDJZCZTQSA-N 0 0 345.443 2.727 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ncnc2sccc21 ZINC001360273643 1335938267 /nfs/dbraw/zinc/93/82/67/1335938267.db2.gz PDCNXPHJBNKOBQ-UHFFFAOYSA-N 0 0 326.425 2.996 10 10 EFCERN CCOC(=O)CN(C(=O)/C(C)=C\c1cccnc1)c1ccc(F)cn1 ZINC001360891565 1335949337 /nfs/dbraw/zinc/94/93/37/1335949337.db2.gz NKCGIHGTPIGYJI-LCYFTJDESA-N 0 0 343.358 2.615 10 10 EFCERN Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCOCC1 ZINC001361094910 1335954756 /nfs/dbraw/zinc/95/47/56/1335954756.db2.gz APGIWERRSQVQFA-UHFFFAOYSA-N 0 0 343.475 2.661 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](OC)c2ccccc2)cc1 ZINC001437376846 1387593153 /nfs/dbraw/zinc/59/31/53/1387593153.db2.gz BPCQZPKAMASDRK-LJQANCHMSA-N 0 0 342.439 2.978 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](OC)C2CCCC2)cc1 ZINC001437382526 1387596994 /nfs/dbraw/zinc/59/69/94/1387596994.db2.gz QASYMVGNHVBZGD-SFHVURJKSA-N 0 0 334.460 2.795 10 10 EFCERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCc2c1cnn2C ZINC001545933476 1389746701 /nfs/dbraw/zinc/74/67/01/1389746701.db2.gz LRNHHSZIPFUTIK-CQSZACIVSA-N 0 0 340.387 2.732 10 10 EFCERN CCCOC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001440590883 1389763090 /nfs/dbraw/zinc/76/30/90/1389763090.db2.gz LLDOHJLYDMPHIB-UHFFFAOYSA-N 0 0 329.352 2.846 10 10 EFCERN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(N)c1F ZINC001440665699 1389807436 /nfs/dbraw/zinc/80/74/36/1389807436.db2.gz YXBDJIOSDQUFRS-UHFFFAOYSA-N 0 0 331.391 2.755 10 10 EFCERN COc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)nn1C ZINC001440716720 1389833030 /nfs/dbraw/zinc/83/30/30/1389833030.db2.gz ZETSBQHBWLUFNU-UHFFFAOYSA-N 0 0 342.443 2.610 10 10 EFCERN O=C(CCc1ncc[nH]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001450708136 1392708961 /nfs/dbraw/zinc/70/89/61/1392708961.db2.gz CQQDHXJDBWUUCE-UHFFFAOYSA-N 0 0 332.367 2.691 10 10 EFCERN CN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21 ZINC001454379856 1392994352 /nfs/dbraw/zinc/99/43/52/1392994352.db2.gz XHAMUWCJVWYJMI-HNNXBMFYSA-N 0 0 337.383 2.640 10 10 EFCERN C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)c1ccccc1O ZINC001454808051 1394251336 /nfs/dbraw/zinc/25/13/36/1394251336.db2.gz RZUOVCILHSKYOW-MFKMUULPSA-N 0 0 328.343 2.835 10 10 EFCERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(O)ccc1O ZINC001455349107 1394592078 /nfs/dbraw/zinc/59/20/78/1394592078.db2.gz ORWBWDJDZZIRMC-JTQLQIEISA-N 0 0 348.380 2.803 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3cc(O)ccc3O)C2)c1 ZINC001455351449 1394592882 /nfs/dbraw/zinc/59/28/82/1394592882.db2.gz GAITZEKZILSYPN-GOSISDBHSA-N 0 0 340.379 2.524 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001455356032 1394593561 /nfs/dbraw/zinc/59/35/61/1394593561.db2.gz GMNRSPZZIRVERO-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001455355168 1394593958 /nfs/dbraw/zinc/59/39/58/1394593958.db2.gz ALQRXQVRHWNDKB-CQSZACIVSA-N 0 0 342.178 2.754 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3c(O)cccc3O)C2)c1 ZINC001456310368 1394664019 /nfs/dbraw/zinc/66/40/19/1394664019.db2.gz AJXJFSMKKLTYTL-SFHVURJKSA-N 0 0 340.379 2.524 10 10 EFCERN Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1cccc(Cl)c1O ZINC001457035564 1394934061 /nfs/dbraw/zinc/93/40/61/1394934061.db2.gz CBNJGHUXARDJJD-UHFFFAOYSA-N 0 0 344.802 2.944 10 10 EFCERN Cn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001457036791 1394934645 /nfs/dbraw/zinc/93/46/45/1394934645.db2.gz NKZIJADEPFJVAQ-UHFFFAOYSA-N 0 0 331.759 2.568 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(n1)CCCN2 ZINC001457670341 1395277464 /nfs/dbraw/zinc/27/74/64/1395277464.db2.gz JORJIMVOUWEGAE-UHFFFAOYSA-N 0 0 337.423 2.954 10 10 EFCERN CN(C)c1ccc(CNc2nc(Cl)nc3[nH]c(=O)[nH]c32)cc1F ZINC001458148286 1395415708 /nfs/dbraw/zinc/41/57/08/1395415708.db2.gz YZTOOAUERNADEA-UHFFFAOYSA-N 0 0 336.758 2.529 10 10 EFCERN Cc1cc(CNc2ccc3nnnn3n2)c(C)n1-c1cccc(C)c1 ZINC001458531978 1395491132 /nfs/dbraw/zinc/49/11/32/1395491132.db2.gz UGMRMLFBWVSMCC-UHFFFAOYSA-N 0 0 333.399 2.847 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCCC[C@@H]1O ZINC001459689744 1395976394 /nfs/dbraw/zinc/97/63/94/1395976394.db2.gz XXSCMZBTPJLNKM-DOMZBBRYSA-N 0 0 341.835 2.572 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@H]1O ZINC001459689747 1395976443 /nfs/dbraw/zinc/97/64/43/1395976443.db2.gz XXSCMZBTPJLNKM-SWLSCSKDSA-N 0 0 341.835 2.572 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@]23CCO[C@H]2CCCC3)cc1 ZINC001461338695 1396371819 /nfs/dbraw/zinc/37/18/19/1396371819.db2.gz SHEHJAJCROFDSG-AZUAARDMSA-N 0 0 346.471 2.939 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001463613051 1396506474 /nfs/dbraw/zinc/50/64/74/1396506474.db2.gz KDPRRUVEWKSVQD-UHFFFAOYSA-N 0 0 349.390 2.833 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001463814825 1396523143 /nfs/dbraw/zinc/52/31/43/1396523143.db2.gz SWDCWFPGSOMNDO-UHFFFAOYSA-N 0 0 328.372 2.795 10 10 EFCERN COCCOc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001463877140 1396527890 /nfs/dbraw/zinc/52/78/90/1396527890.db2.gz OCNJHFFZEIPPDN-UHFFFAOYSA-N 0 0 343.343 2.522 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001464471903 1396579442 /nfs/dbraw/zinc/57/94/42/1396579442.db2.gz YCCKAQBYGYRWLD-JXFKEZNVSA-N 0 0 341.407 2.924 10 10 EFCERN CC(=O)Nc1ccc(Cl)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001464514524 1396583037 /nfs/dbraw/zinc/58/30/37/1396583037.db2.gz UXHMSWOIAABQBX-UHFFFAOYSA-N 0 0 334.759 2.891 10 10 EFCERN C[S@](=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001465103051 1396649936 /nfs/dbraw/zinc/64/99/36/1396649936.db2.gz ZECYXTWURWWUDA-QHCPKHFHSA-N 0 0 330.369 2.839 10 10 EFCERN CC1(C)Cc2cccc(OCC(=O)NCc3ccc(O)c(O)c3)c2O1 ZINC001465953403 1396726061 /nfs/dbraw/zinc/72/60/61/1396726061.db2.gz GIMIBHMLQMJWKC-UHFFFAOYSA-N 0 0 343.379 2.507 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3nc[nH]c(=O)c32)c1 ZINC001465993540 1396730391 /nfs/dbraw/zinc/73/03/91/1396730391.db2.gz SBGYNNYKVLSKED-SNVBAGLBSA-N 0 0 339.351 2.541 10 10 EFCERN Cc1csc(CCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001466791187 1396785288 /nfs/dbraw/zinc/78/52/88/1396785288.db2.gz QKFKUPLAWUIBCW-NSHDSACASA-N 0 0 334.441 2.933 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)CCc2ccccc2)cc1 ZINC001466824204 1396787363 /nfs/dbraw/zinc/78/73/63/1396787363.db2.gz AHGKQVSBAKIDFW-MRXNPFEDSA-N 0 0 340.383 2.573 10 10 EFCERN C[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1 ZINC001467259114 1396831234 /nfs/dbraw/zinc/83/12/34/1396831234.db2.gz DBFCKGQBHVTYDN-SECBINFHSA-N 0 0 326.322 2.986 10 10 EFCERN COc1ccc(CNC(=O)c2cnc3cc(OC)ccc3c2)c(O)c1 ZINC001467470229 1396860203 /nfs/dbraw/zinc/86/02/03/1396860203.db2.gz ICFSWWYCLPYXKJ-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cnc2cc[nH]c2c1 ZINC001467763049 1396894594 /nfs/dbraw/zinc/89/45/94/1396894594.db2.gz AQQNAXBEDQLNSY-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(OC2CCCCC2)CC1 ZINC001468735957 1396983779 /nfs/dbraw/zinc/98/37/79/1396983779.db2.gz BBOKKANPLRBFGI-UHFFFAOYSA-N 0 0 333.428 2.981 10 10 EFCERN COc1ccc(/C=C(\C)C(=O)NCc2ccc(O)cc2O)cc1F ZINC001469160848 1397006409 /nfs/dbraw/zinc/00/64/09/1397006409.db2.gz VBRASYIVJYBJKQ-YRNVUSSQSA-N 0 0 331.343 2.965 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nccc(C)n2)c1 ZINC001469162179 1397007746 /nfs/dbraw/zinc/00/77/46/1397007746.db2.gz HSVKERLBBIRVEC-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1 ZINC001469229481 1397013161 /nfs/dbraw/zinc/01/31/61/1397013161.db2.gz AFHCRWMHAHXAES-UHFFFAOYSA-N 0 0 348.786 2.646 10 10 EFCERN Cc1cc(F)cc(C(=O)NCc2ccc3cccnc3c2O)c1N ZINC001469251113 1397015551 /nfs/dbraw/zinc/01/55/51/1397015551.db2.gz WNQYYEBYYRAAEC-UHFFFAOYSA-N 0 0 325.343 2.900 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ncoc1C(F)(F)F ZINC001469249260 1397015862 /nfs/dbraw/zinc/01/58/62/1397015862.db2.gz MVCWVATTXBASRC-UHFFFAOYSA-N 0 0 337.257 2.877 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cc2n(n1)CCCC2 ZINC001469625441 1397045714 /nfs/dbraw/zinc/04/57/14/1397045714.db2.gz YIHOZZXFZYBOAS-LLVKDONJSA-N 0 0 340.387 2.873 10 10 EFCERN CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001470448046 1397090515 /nfs/dbraw/zinc/09/05/15/1397090515.db2.gz RUSQKJHXRJNROQ-GOSISDBHSA-N 0 0 348.487 2.595 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccc[n+]([O-])c1 ZINC001470547982 1397098229 /nfs/dbraw/zinc/09/82/29/1397098229.db2.gz NDYJHEMHDSCNHN-UHFFFAOYSA-N 0 0 335.363 2.792 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H](O)C(C)C ZINC001470556431 1397098456 /nfs/dbraw/zinc/09/84/56/1397098456.db2.gz VALFHLBIUBNQMN-MAUKXSAKSA-N 0 0 335.492 2.698 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1 ZINC001470772753 1397120201 /nfs/dbraw/zinc/12/02/01/1397120201.db2.gz MKZUKXWWDVEGNT-IIDMSEBBSA-N 0 0 329.444 2.928 10 10 EFCERN C[Si](C)(C)c1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC001470834213 1397125848 /nfs/dbraw/zinc/12/58/48/1397125848.db2.gz SCOPSSBLZSMLGR-UHFFFAOYSA-N 0 0 342.515 2.979 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1ccnc(-c2ccccn2)n1 ZINC001471194703 1397149642 /nfs/dbraw/zinc/14/96/42/1397149642.db2.gz BFSCOOULHDLEGD-UHFFFAOYSA-N 0 0 349.394 2.586 10 10 EFCERN C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001471195854 1397149806 /nfs/dbraw/zinc/14/98/06/1397149806.db2.gz NVYWUMWZTBMTLB-LLVKDONJSA-N 0 0 326.352 2.713 10 10 EFCERN Cc1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c(O)c1O ZINC001471527184 1397182020 /nfs/dbraw/zinc/18/20/20/1397182020.db2.gz SCCXCXZGGARJFU-MRXNPFEDSA-N 0 0 337.379 2.774 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001471661752 1397194697 /nfs/dbraw/zinc/19/46/97/1397194697.db2.gz AKKUWUFMGDUUDT-LBPRGKRZSA-N 0 0 346.814 2.894 10 10 EFCERN O=C(COc1ccc2c(c1)CCCC2)NCc1cc(O)ccc1O ZINC001471661069 1397194876 /nfs/dbraw/zinc/19/48/76/1397194876.db2.gz GVDMCTJQFBITKD-UHFFFAOYSA-N 0 0 327.380 2.672 10 10 EFCERN O=C(CCOc1ccc(F)c(Cl)c1)NCc1cc(O)ccc1O ZINC001471661600 1397195352 /nfs/dbraw/zinc/19/53/52/1397195352.db2.gz UZWJRZNGDCDIHA-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001471713172 1397200621 /nfs/dbraw/zinc/20/06/21/1397200621.db2.gz LMPIDDBRNKIKIL-YTMPYJOOSA-N 0 0 343.354 2.930 10 10 EFCERN CC(C)C(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001471789702 1397206750 /nfs/dbraw/zinc/20/67/50/1397206750.db2.gz NCWWQCHDUCLRIH-GOSISDBHSA-N 0 0 327.380 2.723 10 10 EFCERN CCOc1ccc(OCCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001472063033 1397242236 /nfs/dbraw/zinc/24/22/36/1397242236.db2.gz COVXVXHVBMVREA-UHFFFAOYSA-N 0 0 345.395 2.972 10 10 EFCERN COC(=O)c1cccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001472085895 1397245279 /nfs/dbraw/zinc/24/52/79/1397245279.db2.gz CHWJBBGKVOMCNG-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN CON1CCC(CC(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001472085565 1397245534 /nfs/dbraw/zinc/24/55/34/1397245534.db2.gz VTGFMHYCEBKUOS-UHFFFAOYSA-N 0 0 328.412 2.825 10 10 EFCERN COC(=O)c1cc(OC[C@H]2CCCC[C@@H]2C(=O)OC)ccc1N(C)C ZINC001473077390 1397280909 /nfs/dbraw/zinc/28/09/09/1397280909.db2.gz SCYPYLJATDKVEP-HIFRSBDPSA-N 0 0 349.427 2.897 10 10 EFCERN CCO[C@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)C1CC1 ZINC001473731789 1397326642 /nfs/dbraw/zinc/32/66/42/1397326642.db2.gz GVEOPTVUSBPRPC-LJQANCHMSA-N 0 0 334.460 2.641 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H]1OC ZINC001498676405 1402237424 /nfs/dbraw/zinc/23/74/24/1402237424.db2.gz XDWUXVIFXVBDIJ-WBVHZDCISA-N 0 0 344.459 2.998 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@H]1OC ZINC001498676399 1402237428 /nfs/dbraw/zinc/23/74/28/1402237428.db2.gz XDWUXVIFXVBDIJ-DOTOQJQBSA-N 0 0 344.459 2.998 10 10 EFCERN CCN(C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001501476503 1403607554 /nfs/dbraw/zinc/60/75/54/1403607554.db2.gz RXTHTEAZDHQQMO-UHFFFAOYSA-N 0 0 331.439 2.940 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2Nc2cnn(C)c2)cc1 ZINC001501835052 1403810280 /nfs/dbraw/zinc/81/02/80/1403810280.db2.gz SHJMKSYJKCLDFY-UHFFFAOYSA-N 0 0 339.447 2.958 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC001546279459 1404409152 /nfs/dbraw/zinc/40/91/52/1404409152.db2.gz PZUMEYYUPITFPO-CQSZACIVSA-N 0 0 331.343 2.810 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1CC(C)(C)O ZINC001503488836 1404485136 /nfs/dbraw/zinc/48/51/36/1404485136.db2.gz XIEFRWGGCYIRHY-UHFFFAOYSA-N 0 0 346.475 2.980 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)n(-c2ccc(F)cc2)n1 ZINC001546284188 1404491162 /nfs/dbraw/zinc/49/11/62/1404491162.db2.gz NNUXVFGQTKQNDR-UHFFFAOYSA-N 0 0 341.342 2.912 10 10 EFCERN CC(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508454249 1407472467 /nfs/dbraw/zinc/47/24/67/1407472467.db2.gz ADVSDDQDVTYMLT-NWDGAFQWSA-N 0 0 347.419 2.518 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCC[C@H]1C ZINC001513796706 1413646488 /nfs/dbraw/zinc/64/64/88/1413646488.db2.gz JRGPAFZWASYMMM-AUUYWEPGSA-N 0 0 344.459 2.734 10 10 EFCERN COc1ccc(N2CCN(c3nnc(C)n3[C@@H]3C[C@H]3C)CC2)cc1F ZINC001554959415 1415025922 /nfs/dbraw/zinc/02/59/22/1415025922.db2.gz NDFMBNHGBDUZJH-MLGOLLRUSA-N 0 0 345.422 2.642 10 10 EFCERN COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc(O)c(O)c1 ZINC001556123565 1415054316 /nfs/dbraw/zinc/05/43/16/1415054316.db2.gz REVWUPDCXYMFPE-HNNXBMFYSA-N 0 0 341.407 2.885 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556157540 1415056558 /nfs/dbraw/zinc/05/65/58/1415056558.db2.gz DSHIAQZOEYROBC-SNVBAGLBSA-N 0 0 342.355 2.621 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2ncccc2c1N ZINC001556157891 1415056561 /nfs/dbraw/zinc/05/65/61/1415056561.db2.gz MGOMQYJNKRBHIZ-VIFPVBQESA-N 0 0 343.408 2.651 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001556278831 1415061503 /nfs/dbraw/zinc/06/15/03/1415061503.db2.gz HYRZUBVSSPVOOP-MSOLQXFVSA-N 0 0 340.423 2.796 10 10 EFCERN COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 ZINC001556305713 1415063676 /nfs/dbraw/zinc/06/36/76/1415063676.db2.gz BGIKWPUYIWBAMI-LBPRGKRZSA-N 0 0 346.368 2.555 10 10 EFCERN CN1CCOc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc21 ZINC001556314416 1415064278 /nfs/dbraw/zinc/06/42/78/1415064278.db2.gz IQLNNXKSSMRKKR-CLTKARDFSA-N 0 0 326.352 2.578 10 10 EFCERN CN1CCOc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 ZINC001556314417 1415064344 /nfs/dbraw/zinc/06/43/44/1415064344.db2.gz IQLNNXKSSMRKKR-XVNBXDOJSA-N 0 0 326.352 2.578 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)Cc2ccccc2)cc1 ZINC001556341866 1415064693 /nfs/dbraw/zinc/06/46/93/1415064693.db2.gz YZZAWAGOSZETAO-MRXNPFEDSA-N 0 0 340.383 2.573 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N[C@H](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001556671256 1415081059 /nfs/dbraw/zinc/08/10/59/1415081059.db2.gz XPNWHKHYPRKZRV-CQSZACIVSA-N 0 0 339.439 2.671 10 10 EFCERN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001556722660 1415083954 /nfs/dbraw/zinc/08/39/54/1415083954.db2.gz YMDZBFKRKGYMRT-RUGXIKGKSA-N 0 0 347.798 2.956 10 10 EFCERN COc1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001557057225 1415102835 /nfs/dbraw/zinc/10/28/35/1415102835.db2.gz STBZVHLYHFMVRL-UHFFFAOYSA-N 0 0 335.787 2.961 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1ccco1 ZINC001557113737 1415106334 /nfs/dbraw/zinc/10/63/34/1415106334.db2.gz HFUJYCMRHKOJOO-MDZDMXLPSA-N 0 0 329.352 2.590 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ocnc1C(F)(F)F ZINC001557124079 1415106772 /nfs/dbraw/zinc/10/67/72/1415106772.db2.gz UXYFTFIOZPYSCZ-UHFFFAOYSA-N 0 0 337.257 2.877 10 10 EFCERN Cc1ccc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)c(O)c1O ZINC001557162360 1415109086 /nfs/dbraw/zinc/10/90/86/1415109086.db2.gz OUYKJGYQYFPBJD-UHFFFAOYSA-N 0 0 337.278 2.658 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC001557552691 1415131199 /nfs/dbraw/zinc/13/11/99/1415131199.db2.gz HMPRSDPTZWXSAV-UHFFFAOYSA-N 0 0 326.381 2.544 10 10 EFCERN Cn1cc(-c2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)nn1 ZINC001557580801 1415132547 /nfs/dbraw/zinc/13/25/47/1415132547.db2.gz RAHZKPAJUKNZMG-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN COC(=O)c1sc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC001557720959 1415140261 /nfs/dbraw/zinc/14/02/61/1415140261.db2.gz WVMWDNGBUZOUEQ-XQRVVYSFSA-N 0 0 333.365 2.906 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2cccc3c2CCOC3)cc1 ZINC001557728937 1415141020 /nfs/dbraw/zinc/14/10/20/1415141020.db2.gz CDGILIKGSBMSGU-UHFFFAOYSA-N 0 0 338.367 2.852 10 10 EFCERN O=C(CCc1nnc(-c2ccccc2)o1)N1Cc2cccc(O)c2C1 ZINC001558036470 1415156484 /nfs/dbraw/zinc/15/64/84/1415156484.db2.gz TYIQMIXRGSULED-UHFFFAOYSA-N 0 0 335.363 2.917 10 10 EFCERN CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc(O)ccc1O ZINC001558174589 1415163705 /nfs/dbraw/zinc/16/37/05/1415163705.db2.gz PLNBSZYGJNHLQM-UHFFFAOYSA-N 0 0 345.424 2.726 10 10 EFCERN Nc1c(Cl)cc(Cl)cc1C(=O)NCc1cc(O)ccc1O ZINC001558177305 1415164651 /nfs/dbraw/zinc/16/46/51/1415164651.db2.gz QKUWPCRAGROGQY-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ncccn1 ZINC001558181414 1415165144 /nfs/dbraw/zinc/16/51/44/1415165144.db2.gz QVFWCYSEZNYHAZ-IQCBXXCUSA-N 0 0 325.368 2.655 10 10 EFCERN COc1ccc2[nH]cc(CC(=O)NCc3c(O)cccc3F)c2c1 ZINC001558454715 1415180457 /nfs/dbraw/zinc/18/04/57/1415180457.db2.gz KVUMOLSAEDLOOW-UHFFFAOYSA-N 0 0 328.343 2.880 10 10 EFCERN O=C(N[C@H](c1ncccn1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001558467530 1415181941 /nfs/dbraw/zinc/18/19/41/1415181941.db2.gz AQULMNSCTBWXDK-HNNXBMFYSA-N 0 0 341.392 2.984 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)c1cnn(C)c1 ZINC001558629994 1415193323 /nfs/dbraw/zinc/19/33/23/1415193323.db2.gz UBRFNNGLCFYWGT-UHFFFAOYSA-N 0 0 342.424 2.502 10 10 EFCERN Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1ccncc1 ZINC001558757044 1415199748 /nfs/dbraw/zinc/19/97/48/1415199748.db2.gz MPZBVVBVHPXPDZ-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN CCN(CC)c1ccc(CNc2cc(C(N)=O)nc(Cl)n2)cc1 ZINC001559074436 1415223062 /nfs/dbraw/zinc/22/30/62/1415223062.db2.gz REQCGOBLOSXCBZ-UHFFFAOYSA-N 0 0 333.823 2.687 10 10 EFCERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1cccc(F)c1 ZINC001559454363 1415247193 /nfs/dbraw/zinc/24/71/93/1415247193.db2.gz XXAFVUWCTNANCI-UHFFFAOYSA-N 0 0 343.318 2.616 10 10 EFCERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc(Cl)ccc1O ZINC001564489809 1415378821 /nfs/dbraw/zinc/37/88/21/1415378821.db2.gz RCSZYDHUHDDBRC-UHFFFAOYSA-N 0 0 349.774 2.996 10 10 EFCERN C[C@@H](NC(=O)NC[Si](C)(C)c1ccccc1)c1ccccc1O ZINC001564743800 1415382008 /nfs/dbraw/zinc/38/20/08/1415382008.db2.gz GOBZPNZHZQXOFW-CQSZACIVSA-N 0 0 328.488 2.907 10 10 EFCERN O=C(NCCCSc1nccs1)c1ccc2cccnc2n1 ZINC001565620503 1415407544 /nfs/dbraw/zinc/40/75/44/1415407544.db2.gz UQQOLOMICGJMIK-UHFFFAOYSA-N 0 0 330.438 2.999 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c2nc[nH]c2ccc1F ZINC001566007413 1415480642 /nfs/dbraw/zinc/48/06/42/1415480642.db2.gz AIXZKPLHBIJXRN-UHFFFAOYSA-N 0 0 340.358 2.807 10 10 EFCERN Cc1cc(C(=O)N2CCSC[C@@H]2CO)c(C)n1-c1ccccc1C ZINC001566499517 1415589360 /nfs/dbraw/zinc/58/93/60/1415589360.db2.gz TZJKDFIIRUVHDV-INIZCTEOSA-N 0 0 344.480 2.952 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)Cc1ccccc1 ZINC001566618652 1415699644 /nfs/dbraw/zinc/69/96/44/1415699644.db2.gz OZKJEBHPUQPWKK-BLLLJJGKSA-N 0 0 340.383 2.571 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1 ZINC001567374971 1416102264 /nfs/dbraw/zinc/10/22/64/1416102264.db2.gz RHAPXZLFLDRLDA-CQSZACIVSA-N 0 0 340.339 2.917 10 10 EFCERN COc1ccc(CNC(=O)Cc2cccc(OC)c2Cl)c(O)c1 ZINC001568097296 1416408794 /nfs/dbraw/zinc/40/87/94/1416408794.db2.gz DFRFBKSAFGAXCI-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN COc1ccc(CNC(=O)c2oc(=O)c3ccccc3c2C)c(O)c1 ZINC001568097639 1416408823 /nfs/dbraw/zinc/40/88/23/1416408823.db2.gz NFXPOFKBDDVRTH-UHFFFAOYSA-N 0 0 339.347 2.746 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC001568302218 1416470727 /nfs/dbraw/zinc/47/07/27/1416470727.db2.gz HLBSVGKUAHRNIE-UHFFFAOYSA-N 0 0 349.350 2.621 10 10 EFCERN CS(C)(=O)=Nc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001646035285 1416604696 /nfs/dbraw/zinc/60/46/96/1416604696.db2.gz VOVWKCQCDXLZSE-UHFFFAOYSA-N 0 0 336.388 2.820 10 10 EFCERN CCN1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1=O ZINC001646133202 1416617997 /nfs/dbraw/zinc/61/79/97/1416617997.db2.gz RQFKIQDZSWCBFM-AWEZNQCLSA-N 0 0 345.468 2.896 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1nc2ccccc2[nH]1 ZINC001683303185 1416680030 /nfs/dbraw/zinc/68/00/30/1416680030.db2.gz BSEPYNUDMMNORG-JTQLQIEISA-N 0 0 328.347 2.968 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001684377906 1416719856 /nfs/dbraw/zinc/71/98/56/1416719856.db2.gz PPYSXCWXCSZNNP-MJGOQNOKSA-N 0 0 343.471 2.996 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC001686523523 1416801397 /nfs/dbraw/zinc/80/13/97/1416801397.db2.gz CXSCRCLEZODWIW-QGZVFWFLSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(NCc1noc(-c2cccs2)n1)N1Cc2cccc(O)c2C1 ZINC001686921846 1416816504 /nfs/dbraw/zinc/81/65/04/1416816504.db2.gz UKUCRJHLLIYWHM-UHFFFAOYSA-N 0 0 342.380 2.729 10 10 EFCERN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1 ZINC000243341549 1419217807 /nfs/dbraw/zinc/21/78/07/1419217807.db2.gz LTDOZYOJWJEXLK-UHFFFAOYSA-N 0 0 333.413 2.512 10 10 EFCERN Cc1nccn1CCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001725693905 1425785308 /nfs/dbraw/zinc/78/53/08/1425785308.db2.gz XWHGPNBCPVESGB-UHFFFAOYSA-N 0 0 340.431 2.524 10 10 EFCERN CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725953335 1425993841 /nfs/dbraw/zinc/99/38/41/1425993841.db2.gz ROJSPBCBQLUEOW-GFCCVEGCSA-N 0 0 347.419 2.616 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCCCC1 ZINC001726358110 1426288240 /nfs/dbraw/zinc/28/82/40/1426288240.db2.gz UOELYSUJZXTTNQ-UHFFFAOYSA-N 0 0 330.432 2.624 10 10 EFCERN CO[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)C(C)(C)C ZINC001729862233 1426328995 /nfs/dbraw/zinc/32/89/95/1426328995.db2.gz GIPFMULLVUYQNO-INIZCTEOSA-N 0 0 332.448 2.990 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000890595266 713103375 /nfs/dbraw/zinc/10/33/75/713103375.db2.gz ONPSNNCXWDYWDD-CWCIKPCXSA-N 0 0 347.411 2.738 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCc3nc(C)cs3)CC2)cc1 ZINC000049678206 713127082 /nfs/dbraw/zinc/12/70/82/713127082.db2.gz CFFCYMJUOLDRKA-UHFFFAOYSA-N 0 0 345.468 2.742 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000804716180 713449175 /nfs/dbraw/zinc/44/91/75/713449175.db2.gz FJISJJVNFLHNPA-SUZKBHRPSA-N 0 0 346.383 2.788 10 10 EFCERN O=C(CC[C@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000804735321 713455183 /nfs/dbraw/zinc/45/51/83/713455183.db2.gz USAKELALHRERAI-GFCCVEGCSA-N 0 0 328.206 2.730 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1Cc2ccccc2O1 ZINC000804736055 713455369 /nfs/dbraw/zinc/45/53/69/713455369.db2.gz MSXDXPHRPUVJSZ-OAHLLOKOSA-N 0 0 348.196 2.775 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc(F)n1 ZINC000804735655 713455394 /nfs/dbraw/zinc/45/53/94/713455394.db2.gz CGARXYGEBZGDGM-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN C[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCOCC1 ZINC000804736166 713455423 /nfs/dbraw/zinc/45/54/23/713455423.db2.gz PHKVMWLINQPARQ-JTQLQIEISA-N 0 0 342.233 2.834 10 10 EFCERN O=C(CC1CCOCC1)NCc1cc(Br)ccc1O ZINC000804735891 713455431 /nfs/dbraw/zinc/45/54/31/713455431.db2.gz HOKLYSPFSZNSCX-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1c(O)cccc1F ZINC000804735087 713455723 /nfs/dbraw/zinc/45/57/23/713455723.db2.gz KUMYKONOJNZTMT-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CCOC1CC(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000804736308 713455726 /nfs/dbraw/zinc/45/57/26/713455726.db2.gz PTJSGFPROKZJLU-UHFFFAOYSA-N 0 0 342.233 2.976 10 10 EFCERN O=C(CCc1nccs1)NCc1cc(Br)ccc1O ZINC000804738770 713456398 /nfs/dbraw/zinc/45/63/98/713456398.db2.gz CZRFVOHTPQECFK-UHFFFAOYSA-N 0 0 341.230 2.860 10 10 EFCERN COCc1ccc(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804738983 713456431 /nfs/dbraw/zinc/45/64/31/713456431.db2.gz LIVZYEDNLRPHIT-UHFFFAOYSA-N 0 0 340.173 2.824 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804739753 713456677 /nfs/dbraw/zinc/45/66/77/713456677.db2.gz RBYIPJLXXKAGSQ-ZJUUUORDSA-N 0 0 328.206 2.586 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804739750 713456758 /nfs/dbraw/zinc/45/67/58/713456758.db2.gz RBYIPJLXXKAGSQ-NXEZZACHSA-N 0 0 328.206 2.586 10 10 EFCERN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000804740902 713457013 /nfs/dbraw/zinc/45/70/13/713457013.db2.gz OXSBWKKPNNMSJA-ZJUUUORDSA-N 0 0 340.217 2.776 10 10 EFCERN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000804740900 713457045 /nfs/dbraw/zinc/45/70/45/713457045.db2.gz OXSBWKKPNNMSJA-UWVGGRQHSA-N 0 0 340.217 2.776 10 10 EFCERN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000804740899 713457075 /nfs/dbraw/zinc/45/70/75/713457075.db2.gz OXSBWKKPNNMSJA-NXEZZACHSA-N 0 0 340.217 2.776 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H](O)C1CCCCC1 ZINC000804741561 713457216 /nfs/dbraw/zinc/45/72/16/713457216.db2.gz ZTGGWKKQJJDXRA-CQSZACIVSA-N 0 0 342.233 2.712 10 10 EFCERN Cc1nc2ccc(NCc3cc(Br)ccc3O)nn2n1 ZINC000804827648 713488531 /nfs/dbraw/zinc/48/85/31/713488531.db2.gz BVWJYLDFHUWQHS-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccc(O)cc3)CC2)cc1 ZINC000255140214 713883990 /nfs/dbraw/zinc/88/39/90/713883990.db2.gz AWMIWQUDIGARAD-WCIBSUBMSA-N 0 0 338.407 2.763 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1CCCCO1 ZINC000134134164 714032777 /nfs/dbraw/zinc/03/27/77/714032777.db2.gz ZEUDPWSODLCHKB-AWEZNQCLSA-N 0 0 327.384 2.892 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3cncc(C)c3)CC2)cc1 ZINC000178384859 715085671 /nfs/dbraw/zinc/08/56/71/715085671.db2.gz XKZMSLRLRWFXME-FPYGCLRLSA-N 0 0 337.423 2.761 10 10 EFCERN Cc1cc(C(=O)CN(CC(N)=O)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000119703460 715267931 /nfs/dbraw/zinc/26/79/31/715267931.db2.gz UQBWBEMRKQHBPW-UHFFFAOYSA-N 0 0 345.418 2.612 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000121848213 715738887 /nfs/dbraw/zinc/73/88/87/715738887.db2.gz HTGDCPVXUVSKBF-UHFFFAOYSA-N 0 0 340.427 2.856 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nc[nH]n2)c1 ZINC000161485307 715936424 /nfs/dbraw/zinc/93/64/24/715936424.db2.gz AMEKQFJYMDFCKU-UHFFFAOYSA-N 0 0 349.394 2.561 10 10 EFCERN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c(O)c1O ZINC000179425571 717463619 /nfs/dbraw/zinc/46/36/19/717463619.db2.gz DCXPFVNPMMRLSM-UHFFFAOYSA-N 0 0 328.368 2.797 10 10 EFCERN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1Cc1ccon1 ZINC000255890505 718281851 /nfs/dbraw/zinc/28/18/51/718281851.db2.gz XEMARXOBNNADNJ-NTUHNPAUSA-N 0 0 342.405 2.724 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1csc(N2CCCCC2)n1 ZINC000928706792 724583001 /nfs/dbraw/zinc/58/30/01/724583001.db2.gz VDZFEVVKHJVMMO-UHFFFAOYSA-N 0 0 335.404 2.908 10 10 EFCERN COC(OC)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000917524168 728750738 /nfs/dbraw/zinc/75/07/38/728750738.db2.gz XVUCLNRLOFFHEV-HNNXBMFYSA-N 0 0 349.475 2.730 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c1 ZINC000925858554 719857664 /nfs/dbraw/zinc/85/76/64/719857664.db2.gz XLIVEGCRVJNBKZ-BMIGLBTASA-N 0 0 346.349 2.514 10 10 EFCERN COC(=O)[C@@H]1CSCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840976317 719999952 /nfs/dbraw/zinc/99/99/52/719999952.db2.gz DGONKEZEGFROEA-APHBUQMISA-N 0 0 334.485 2.604 10 10 EFCERN CCCN(Cc1nc(Br)nn1C)Cc1ccccc1O ZINC000893984554 720203970 /nfs/dbraw/zinc/20/39/70/720203970.db2.gz QFHRBGKTGJOQSH-UHFFFAOYSA-N 0 0 339.237 2.695 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000894093100 720276688 /nfs/dbraw/zinc/27/66/88/720276688.db2.gz CGSWGAHMLCXLHL-HZPDHXFCSA-N 0 0 347.411 2.627 10 10 EFCERN CC(C)C[C@@H](CO)N(C)C(=O)NCCCSc1nccs1 ZINC000185649057 720424909 /nfs/dbraw/zinc/42/49/09/720424909.db2.gz DYARAAHLWJXHBY-LBPRGKRZSA-N 0 0 331.507 2.674 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(C)C ZINC000178699775 720540422 /nfs/dbraw/zinc/54/04/22/720540422.db2.gz QMVMEECFRFZXCQ-SFHVURJKSA-N 0 0 341.455 2.903 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NC/C=C(\C)C(=O)OC)cc1 ZINC000925033163 722604061 /nfs/dbraw/zinc/60/40/61/722604061.db2.gz KJEFICOYSSQHQZ-NTCAYCPXSA-N 0 0 347.459 2.794 10 10 EFCERN CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000018150519 722705853 /nfs/dbraw/zinc/70/58/53/722705853.db2.gz QSSUATZFSNXKLJ-UHFFFAOYSA-N 0 0 325.412 2.983 10 10 EFCERN COc1cc(N(C)Cc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC ZINC000894429822 722734207 /nfs/dbraw/zinc/73/42/07/722734207.db2.gz ODFVWTSAPHMTPI-UHFFFAOYSA-N 0 0 343.383 2.931 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC2CSC2)cc1F ZINC000917611129 728767646 /nfs/dbraw/zinc/76/76/46/728767646.db2.gz GNZOHQQYUPPYBJ-UHFFFAOYSA-N 0 0 325.453 2.834 10 10 EFCERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181219321 728779615 /nfs/dbraw/zinc/77/96/15/728779615.db2.gz CGMSHWDWDKUDEJ-BCRSCGJKSA-N 0 0 327.380 2.906 10 10 EFCERN COC(=O)c1c(CNCc2conc2C)c2cc(F)ccc2n1C ZINC000894886034 723005972 /nfs/dbraw/zinc/00/59/72/723005972.db2.gz KECQDWHCDQQABV-UHFFFAOYSA-N 0 0 331.347 2.690 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C2OCCO2)CC1 ZINC000896064325 723117102 /nfs/dbraw/zinc/11/71/02/723117102.db2.gz GMHHQJFXHPHVNH-UHFFFAOYSA-N 0 0 349.408 2.538 10 10 EFCERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC(C)(C)C ZINC000896261804 723225086 /nfs/dbraw/zinc/22/50/86/723225086.db2.gz KFYRBIZAYYOPIK-QMMMGPOBSA-N 0 0 337.397 2.773 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(C2CCC2)CC1 ZINC000896343810 723260829 /nfs/dbraw/zinc/26/08/29/723260829.db2.gz YWPBUWYZZWDZJC-UHFFFAOYSA-N 0 0 332.425 2.623 10 10 EFCERN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896506360 723330409 /nfs/dbraw/zinc/33/04/09/723330409.db2.gz NBZWVLYBRIEWCY-LBPRGKRZSA-N 0 0 334.441 2.725 10 10 EFCERN CCOC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000896586652 723391430 /nfs/dbraw/zinc/39/14/30/723391430.db2.gz RFYAYXBHJJNIKX-UHFFFAOYSA-N 0 0 349.408 2.776 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000154638225 728832948 /nfs/dbraw/zinc/83/29/48/728832948.db2.gz NEAASLICZVNSHZ-FVQBIDKESA-N 0 0 339.395 2.938 10 10 EFCERN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896977003 723921619 /nfs/dbraw/zinc/92/16/19/723921619.db2.gz LJMBRPYCNKQJPE-VIFPVBQESA-N 0 0 337.397 2.725 10 10 EFCERN CN(C)c1ccc(CNCc2cnc(Br)cn2)cc1F ZINC000895408574 724120619 /nfs/dbraw/zinc/12/06/19/724120619.db2.gz GSYZMCKVVBZDHH-UHFFFAOYSA-N 0 0 339.212 2.734 10 10 EFCERN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]21 ZINC000895461868 724144621 /nfs/dbraw/zinc/14/46/21/724144621.db2.gz PUXMHULVNVEPLK-YGRLFVJLSA-N 0 0 343.240 2.820 10 10 EFCERN CCN1C[C@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000897267430 724155379 /nfs/dbraw/zinc/15/53/79/724155379.db2.gz BGYZRSKSGUTVHD-QWRGUYRKSA-N 0 0 334.441 2.867 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000895494522 724159649 /nfs/dbraw/zinc/15/96/49/724159649.db2.gz GLHPQAYBWUBZOC-GOSISDBHSA-N 0 0 346.471 2.687 10 10 EFCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)(F)F ZINC000897268707 724159655 /nfs/dbraw/zinc/15/96/55/724159655.db2.gz PEECXEVESRJRSH-KRTXAFLBSA-N 0 0 349.330 2.744 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000895494523 724159741 /nfs/dbraw/zinc/15/97/41/724159741.db2.gz GLHPQAYBWUBZOC-SFHVURJKSA-N 0 0 346.471 2.687 10 10 EFCERN CC1(C)C[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C(C)(C)O1 ZINC000925452542 728879358 /nfs/dbraw/zinc/87/93/58/728879358.db2.gz WPNKVQXYSXFHOF-CQSZACIVSA-N 0 0 346.427 2.750 10 10 EFCERN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)ccc(F)c1F ZINC000895535656 724186017 /nfs/dbraw/zinc/18/60/17/724186017.db2.gz BWDPNXKUJUHQFS-ZDUSSCGKSA-N 0 0 327.371 2.736 10 10 EFCERN COc1ccc(O)c(CN2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000895561438 724195994 /nfs/dbraw/zinc/19/59/94/724195994.db2.gz AYLOTTWSBLWTGP-UHFFFAOYSA-N 0 0 327.306 2.632 10 10 EFCERN C[C@@H]1CO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1 ZINC000895601993 724215578 /nfs/dbraw/zinc/21/55/78/724215578.db2.gz UOGRZJPMMQQNQW-KFKAGJAMSA-N 0 0 346.471 2.685 10 10 EFCERN CCc1ccc(S(=O)(=O)NCc2ccc(OC)cc2O)s1 ZINC000795357501 724238391 /nfs/dbraw/zinc/23/83/91/724238391.db2.gz RTSBUOQFICGGBQ-UHFFFAOYSA-N 0 0 327.427 2.503 10 10 EFCERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000895862905 724345819 /nfs/dbraw/zinc/34/58/19/724345819.db2.gz KCCJHRAIXUSHDS-MOPGFXCFSA-N 0 0 346.471 2.877 10 10 EFCERN CC(C)[C@@H](O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897310139 724348042 /nfs/dbraw/zinc/34/80/42/724348042.db2.gz MSMDWSYXLGQNKJ-OAHLLOKOSA-N 0 0 335.425 2.839 10 10 EFCERN CCOC(=O)[C@H](C[C@H]1CCCO1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895864532 724354397 /nfs/dbraw/zinc/35/43/97/724354397.db2.gz PEIOFJTWKZHZJJ-BJAZZSIWSA-N 0 0 346.471 2.856 10 10 EFCERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1O ZINC000895867310 724361948 /nfs/dbraw/zinc/36/19/48/724361948.db2.gz VTHSCNRUPYNRSA-OCCSQVGLSA-N 0 0 327.808 2.554 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000728979450 724938864 /nfs/dbraw/zinc/93/88/64/724938864.db2.gz IFVGFYSZZSIAGB-OCCSQVGLSA-N 0 0 327.380 2.829 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@H]1CCC2(CCC2)O1 ZINC000925456341 728924359 /nfs/dbraw/zinc/92/43/59/728924359.db2.gz LGLVFLCKMFUZAU-OAHLLOKOSA-N 0 0 344.411 2.648 10 10 EFCERN CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)CCC2 ZINC000740863397 725861075 /nfs/dbraw/zinc/86/10/75/725861075.db2.gz PMIPBIAHAHHQGA-UHFFFAOYSA-N 0 0 345.464 2.916 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1COc2ccccc2C1 ZINC000913938546 725961685 /nfs/dbraw/zinc/96/16/85/725961685.db2.gz BOHSVUPRLUCZOG-GFCCVEGCSA-N 0 0 330.359 2.582 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152151432 725963753 /nfs/dbraw/zinc/96/37/53/725963753.db2.gz KYMYGFLIFFIVNS-OKILXGFUSA-N 0 0 327.384 2.531 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)CC2(F)CC2)cc1F ZINC000914082498 726030717 /nfs/dbraw/zinc/03/07/17/726030717.db2.gz FVWTWIGOKHYBBQ-UHFFFAOYSA-N 0 0 332.416 2.593 10 10 EFCERN COCCOc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000914111579 726048807 /nfs/dbraw/zinc/04/88/07/726048807.db2.gz KTBXAYOVCSYSDI-UHFFFAOYSA-N 0 0 348.374 2.556 10 10 EFCERN O=S(=O)(NCc1ccccc1O)C1(COCc2ccccc2)CC1 ZINC000914141064 726078104 /nfs/dbraw/zinc/07/81/04/726078104.db2.gz XIQJSWOMKGDUTA-UHFFFAOYSA-N 0 0 347.436 2.561 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)cc1 ZINC000729246613 726158275 /nfs/dbraw/zinc/15/82/75/726158275.db2.gz ZCZNQJUEAWVAOK-INIZCTEOSA-N 0 0 327.428 2.797 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000914200660 726164569 /nfs/dbraw/zinc/16/45/69/726164569.db2.gz NDFHALKPMLPDKT-OAHLLOKOSA-N 0 0 349.500 2.560 10 10 EFCERN CC(C)(/C=C/Cl)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000914335280 726241074 /nfs/dbraw/zinc/24/10/74/726241074.db2.gz DLWGPUYJDQDEDY-BQYQJAHWSA-N 0 0 337.851 2.854 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000906992842 726841539 /nfs/dbraw/zinc/84/15/39/726841539.db2.gz ZIENUVYCFPOQSS-ZIAGYGMSSA-N 0 0 334.416 2.511 10 10 EFCERN CCn1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1C1CC1 ZINC000907061105 726856754 /nfs/dbraw/zinc/85/67/54/726856754.db2.gz REXISTUUHCULAC-LLVKDONJSA-N 0 0 329.400 2.986 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2c(C)cc(C)[nH]c2=O)c1 ZINC000907061692 726856896 /nfs/dbraw/zinc/85/68/96/726856896.db2.gz YAKCMTSMESLWLO-LBPRGKRZSA-N 0 0 330.384 2.538 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000907103748 726861651 /nfs/dbraw/zinc/86/16/51/726861651.db2.gz HEPCYDUGNUFGRE-QILLFSRXSA-N 0 0 333.428 2.715 10 10 EFCERN COc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2C)c(O)c1 ZINC000915165683 726888204 /nfs/dbraw/zinc/88/82/04/726888204.db2.gz YPBJOCWBBXWUCO-UHFFFAOYSA-N 0 0 341.454 2.866 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1C1CCCC1 ZINC000907272146 726899772 /nfs/dbraw/zinc/89/97/72/726899772.db2.gz FHYQRPFZSHOBFC-LBPRGKRZSA-N 0 0 343.427 2.850 10 10 EFCERN C/C=C/C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OCC ZINC000907399360 726928622 /nfs/dbraw/zinc/92/86/22/726928622.db2.gz GKMAZMDKFWIVPZ-TZNOJPMFSA-N 0 0 349.408 2.940 10 10 EFCERN CC(C)COCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731859547 726943561 /nfs/dbraw/zinc/94/35/61/726943561.db2.gz WTCKQIITQZUMEH-KRWDZBQOSA-N 0 0 335.444 2.963 10 10 EFCERN COc1ccc(-c2nc(COC(=O)C3=CC(=O)CS3)no2)cc1 ZINC000731909762 726953339 /nfs/dbraw/zinc/95/33/39/726953339.db2.gz JRUMFCTZKMGBNE-UHFFFAOYSA-N 0 0 332.337 2.869 10 10 EFCERN COc1ccccc1[C@@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000907493006 726953882 /nfs/dbraw/zinc/95/38/82/726953882.db2.gz NRMPUPSJGRQOEE-SCLBCKFNSA-N 0 0 328.412 2.672 10 10 EFCERN CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732352802 727025192 /nfs/dbraw/zinc/02/51/92/727025192.db2.gz HMTQVXOIGSRXTG-VIFPVBQESA-N 0 0 348.380 2.596 10 10 EFCERN O=C(NCC[C@H]1OCCc2ccccc21)NCc1ccccc1O ZINC000915524781 727086985 /nfs/dbraw/zinc/08/69/85/727086985.db2.gz JHXFKBMYKOCYBS-GOSISDBHSA-N 0 0 326.396 2.896 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000915526305 727087500 /nfs/dbraw/zinc/08/75/00/727087500.db2.gz XBHXPUMKPCQOCY-DGCLKSJQSA-N 0 0 332.322 2.691 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)c2ccccc2)c(O)c1O ZINC000909125568 727326787 /nfs/dbraw/zinc/32/67/87/727326787.db2.gz HAHFUUGBFNXJPN-HNNXBMFYSA-N 0 0 325.364 2.894 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn(C2CC2)c1N ZINC000910559583 727452866 /nfs/dbraw/zinc/45/28/66/727452866.db2.gz WDYIYBSUAGBJAH-ZDUSSCGKSA-N 0 0 341.459 2.536 10 10 EFCERN CC(C)(C)OC(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910949596 727472622 /nfs/dbraw/zinc/47/26/22/727472622.db2.gz LNHFJUHWYZQOBD-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN CCn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C1CC1 ZINC000911261490 727520624 /nfs/dbraw/zinc/52/06/24/727520624.db2.gz GCGUMYHCQCADAS-UHFFFAOYSA-N 0 0 336.395 2.964 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262678 727521007 /nfs/dbraw/zinc/52/10/07/727521007.db2.gz SRTSMDWCAJFUCN-LSDHHAIUSA-N 0 0 342.395 2.536 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911684778 727581960 /nfs/dbraw/zinc/58/19/60/727581960.db2.gz TUISMAZNPMIIND-JEMSNHSXSA-N 0 0 326.371 2.822 10 10 EFCERN COC1(OC)CC2(CN(C(=O)c3ccc(C)c(O)c3O)[C@@H]2C(C)C)C1 ZINC000911996261 727634241 /nfs/dbraw/zinc/63/42/41/727634241.db2.gz XJQCDAOSVVYZTK-MRXNPFEDSA-N 0 0 349.427 2.656 10 10 EFCERN CN1C(=O)c2ccccc2/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000916141905 727660407 /nfs/dbraw/zinc/66/04/07/727660407.db2.gz YHAYXNVDIVVCLY-XMHGGMMESA-N 0 0 348.402 2.676 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2c2nccs2)c1 ZINC000153885547 727664971 /nfs/dbraw/zinc/66/49/71/727664971.db2.gz SGNCWQCXFFFYCM-SMDDNHRTSA-N 0 0 347.440 2.704 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2c2nccs2)c1 ZINC000153885437 727664973 /nfs/dbraw/zinc/66/49/73/727664973.db2.gz SGNCWQCXFFFYCM-RISCZKNCSA-N 0 0 347.440 2.704 10 10 EFCERN C[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1CCO ZINC000912411967 727703460 /nfs/dbraw/zinc/70/34/60/727703460.db2.gz WNLSJBGNKMQKOS-JQWIXIFHSA-N 0 0 335.425 2.936 10 10 EFCERN C[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1CCO ZINC000912411966 727703518 /nfs/dbraw/zinc/70/35/18/727703518.db2.gz WNLSJBGNKMQKOS-CMPLNLGQSA-N 0 0 335.425 2.936 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@H]2CO)c(C)n1-c1cccc(Cl)c1 ZINC000912422983 727710488 /nfs/dbraw/zinc/71/04/88/727710488.db2.gz OTESOXKYWJCKDL-MRXNPFEDSA-N 0 0 348.830 2.581 10 10 EFCERN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154114739 727714326 /nfs/dbraw/zinc/71/43/26/727714326.db2.gz MOQGWIIYMXGEEC-GFCCVEGCSA-N 0 0 339.355 2.732 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCn3cncc32)c1 ZINC000912584450 727727161 /nfs/dbraw/zinc/72/71/61/727727161.db2.gz IDIOHFNMOXVSSM-SFHVURJKSA-N 0 0 348.406 2.978 10 10 EFCERN Cn1ncc(I)c1CSc1nccs1 ZINC000916759868 727736077 /nfs/dbraw/zinc/73/60/77/727736077.db2.gz URFVPMNUFPQVDV-UHFFFAOYSA-N 0 0 337.211 2.774 10 10 EFCERN CC[S@@](=O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000733879397 727758842 /nfs/dbraw/zinc/75/88/42/727758842.db2.gz MZOIQDVNUZPXFV-HSZRJFAPSA-N 0 0 332.469 2.901 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc2ccccn21 ZINC000033175295 727763071 /nfs/dbraw/zinc/76/30/71/727763071.db2.gz VOEDJLGFDPFFND-UHFFFAOYSA-N 0 0 332.323 2.545 10 10 EFCERN CC(C)CC[C@@](C)(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000154288775 727772105 /nfs/dbraw/zinc/77/21/05/727772105.db2.gz WCQSPQKLKBFNON-GOSISDBHSA-N 0 0 339.455 2.878 10 10 EFCERN Cc1cc(CNC(=O)/C=C\Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000913167095 727791170 /nfs/dbraw/zinc/79/11/70/727791170.db2.gz MKZREHPFYXKAQD-YVMONPNESA-N 0 0 349.438 2.867 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000156689173 727944171 /nfs/dbraw/zinc/94/41/71/727944171.db2.gz LGLAARIUJSUCRK-GXTWGEPZSA-N 0 0 333.334 2.838 10 10 EFCERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000183331322 728044327 /nfs/dbraw/zinc/04/43/27/728044327.db2.gz YKNNUZMNNNWPMF-DHZHZOJOSA-N 0 0 328.324 2.726 10 10 EFCERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000057258363 728075488 /nfs/dbraw/zinc/07/54/88/728075488.db2.gz JCOHFPSAXJWPFT-UHFFFAOYSA-N 0 0 333.819 2.741 10 10 EFCERN CC(=O)N1CCC[C@@H](c2[nH]ccc2C(=O)N2CCc3ccccc32)C1 ZINC000169789213 728403740 /nfs/dbraw/zinc/40/37/40/728403740.db2.gz OFKIALLCVQGUIB-MRXNPFEDSA-N 0 0 337.423 2.944 10 10 EFCERN CO[C@H](C)c1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000170703156 728468001 /nfs/dbraw/zinc/46/80/01/728468001.db2.gz PNJXFYYURCEEFC-CYBMUJFWSA-N 0 0 342.395 2.697 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000173710608 728634174 /nfs/dbraw/zinc/63/41/74/728634174.db2.gz JBZVZLJXZRBWAM-CYBMUJFWSA-N 0 0 343.475 2.533 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1CC1CC1 ZINC000919081246 728969328 /nfs/dbraw/zinc/96/93/28/728969328.db2.gz IXIVDZBTGZWNAH-GOSISDBHSA-N 0 0 331.460 2.772 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-n2cncn2)cc1 ZINC000154913330 728980780 /nfs/dbraw/zinc/98/07/80/728980780.db2.gz GXIQDQLQNALZPS-UHFFFAOYSA-N 0 0 335.411 2.732 10 10 EFCERN CCc1onc(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920880983 729239721 /nfs/dbraw/zinc/23/97/21/729239721.db2.gz KLOHCYSIDVUGDR-CYBMUJFWSA-N 0 0 343.427 2.873 10 10 EFCERN CCc1onc(C)c1CNC(=O)NCCCSc1nccs1 ZINC000921447206 729459868 /nfs/dbraw/zinc/45/98/68/729459868.db2.gz AUYPGEUWKPGGEL-UHFFFAOYSA-N 0 0 340.474 2.984 10 10 EFCERN COC[C@@H](CNC(=O)NCCCSc1nccs1)C(C)C ZINC000921447422 729459882 /nfs/dbraw/zinc/45/98/82/729459882.db2.gz IIXDIHCTTRFZNQ-GFCCVEGCSA-N 0 0 331.507 2.843 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)Cn1cncn1 ZINC000068086564 729616688 /nfs/dbraw/zinc/61/66/88/729616688.db2.gz IEHGGPMAZHVTML-LLVKDONJSA-N 0 0 329.429 2.566 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000180586341 729761245 /nfs/dbraw/zinc/76/12/45/729761245.db2.gz DBOXXWRJKFJSKD-KRXBUXKQSA-N 0 0 342.370 2.599 10 10 EFCERN C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000865714938 1126114591 /nfs/dbraw/zinc/11/45/91/1126114591.db2.gz GMOAKKLDIWWULX-KRWDZBQOSA-N 0 0 334.347 2.523 10 10 EFCERN CCN(C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)[C@@H](C)CO ZINC001569869722 1085698433 /nfs/dbraw/zinc/69/84/33/1085698433.db2.gz UWRXSLJTGUVGCN-AWEZNQCLSA-N 0 0 344.455 2.758 10 10 EFCERN COc1cc(Cl)c(F)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001570462133 1086257711 /nfs/dbraw/zinc/25/77/11/1086257711.db2.gz FJPYVSYUUDZFQE-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN CC(C)Oc1cc(C(=O)NCc2ccc(O)cc2O)ccc1[N+](=O)[O-] ZINC001570462084 1086257856 /nfs/dbraw/zinc/25/78/56/1086257856.db2.gz CXZBDIUSZROTPT-UHFFFAOYSA-N 0 0 346.339 2.723 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)OCCO2 ZINC001570531888 1086317652 /nfs/dbraw/zinc/31/76/52/1086317652.db2.gz RQOXPFXHVKWLOD-UHFFFAOYSA-N 0 0 336.347 2.642 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001570735237 1086490646 /nfs/dbraw/zinc/49/06/46/1086490646.db2.gz ZDAWNLLXQQHWCT-YWEYNIOJSA-N 0 0 335.363 2.818 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(C2CCOCC2)cc1 ZINC001647290791 1089217524 /nfs/dbraw/zinc/21/75/24/1089217524.db2.gz SNMRFYAIZJAVHV-UHFFFAOYSA-N 0 0 327.380 2.922 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)cc1 ZINC001647808980 1089881795 /nfs/dbraw/zinc/88/17/95/1089881795.db2.gz MGIXFXYNHROOCA-AWEZNQCLSA-N 0 0 342.359 2.997 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cnn3cccc(Cl)c23)cc1 ZINC001587316574 1091574902 /nfs/dbraw/zinc/57/49/02/1091574902.db2.gz KFLFFKKFIRKGFZ-UHFFFAOYSA-N 0 0 328.803 2.984 10 10 EFCERN C[C@H](NC(=O)[C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC001583676731 1092056813 /nfs/dbraw/zinc/05/68/13/1092056813.db2.gz PIFQCKUNUXYJHS-HOTGVXAUSA-N 0 0 339.439 2.899 10 10 EFCERN CC(C)n1ccnc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001583677301 1092056992 /nfs/dbraw/zinc/05/69/92/1092056992.db2.gz YXFWHSKQQGSPPU-HNNXBMFYSA-N 0 0 342.443 2.792 10 10 EFCERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC001583676730 1092057011 /nfs/dbraw/zinc/05/70/11/1092057011.db2.gz PIFQCKUNUXYJHS-CVEARBPZSA-N 0 0 339.439 2.899 10 10 EFCERN CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001583753511 1092065217 /nfs/dbraw/zinc/06/52/17/1092065217.db2.gz VUHXXDNUXNQHCL-UHFFFAOYSA-N 0 0 347.365 2.919 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001583817380 1092072179 /nfs/dbraw/zinc/07/21/79/1092072179.db2.gz SAEIZTFXUYHYQZ-ZDUSSCGKSA-N 0 0 348.761 2.927 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)cc(F)c3N)C2)cc1 ZINC001584229004 1092129174 /nfs/dbraw/zinc/12/91/74/1092129174.db2.gz BQDJRYZGDMRLIJ-LBPRGKRZSA-N 0 0 347.365 2.564 10 10 EFCERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCC2 ZINC001584615937 1092220527 /nfs/dbraw/zinc/22/05/27/1092220527.db2.gz PUDKLUSCHXLFCM-HZPDHXFCSA-N 0 0 333.428 2.883 10 10 EFCERN COc1cccc(OC)c1CC(=O)NCc1cccc(Cl)c1O ZINC001648606373 1092237748 /nfs/dbraw/zinc/23/77/48/1092237748.db2.gz PLJRNLFHNFRIEN-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1c[nH]nc1-c1ccncc1 ZINC001648606729 1092238806 /nfs/dbraw/zinc/23/88/06/1092238806.db2.gz WUJOBPOZCBIDAU-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(c2ccccc2)=NO1 ZINC001648606473 1092239253 /nfs/dbraw/zinc/23/92/53/1092239253.db2.gz QXJONPQGEOBFDS-HNNXBMFYSA-N 0 0 330.771 2.855 10 10 EFCERN Cc1ccn2c(c1)nnc2NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001648637390 1092242899 /nfs/dbraw/zinc/24/28/99/1092242899.db2.gz WPNZUJMTTHHOLN-UHFFFAOYSA-N 0 0 340.364 2.916 10 10 EFCERN COC(=O)N(C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001584707335 1092257007 /nfs/dbraw/zinc/25/70/07/1092257007.db2.gz MEFGSYCRUYEMOS-UHFFFAOYSA-N 0 0 335.429 2.584 10 10 EFCERN COc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)cn1 ZINC001584946869 1092335988 /nfs/dbraw/zinc/33/59/88/1092335988.db2.gz KCMSXAOKEKZGFG-XOULXFPDSA-N 0 0 347.321 2.591 10 10 EFCERN CC(=O)N/C(=C/c1cccs1)C(=O)NCc1cc(C)ccc1O ZINC001584983330 1092345730 /nfs/dbraw/zinc/34/57/30/1092345730.db2.gz JNHBLONBORQAGU-OQLLNIDSSA-N 0 0 330.409 2.556 10 10 EFCERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001585422313 1092480756 /nfs/dbraw/zinc/48/07/56/1092480756.db2.gz AFBIKGRSVWSAGQ-GFCCVEGCSA-N 0 0 328.372 2.855 10 10 EFCERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001585422314 1092481011 /nfs/dbraw/zinc/48/10/11/1092481011.db2.gz AFBIKGRSVWSAGQ-LBPRGKRZSA-N 0 0 328.372 2.855 10 10 EFCERN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)CO1 ZINC001586376189 1092728745 /nfs/dbraw/zinc/72/87/45/1092728745.db2.gz WAZJNXKFDWPTRK-LIRRHRJNSA-N 0 0 341.407 2.937 10 10 EFCERN Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC001586796155 1092759810 /nfs/dbraw/zinc/75/98/10/1092759810.db2.gz RSBXJQSWFFALQZ-UHFFFAOYSA-N 0 0 341.314 2.910 10 10 EFCERN COc1ccccc1C[C@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001587212677 1092792553 /nfs/dbraw/zinc/79/25/53/1092792553.db2.gz KFDQRXUHHWMTAQ-ZDUSSCGKSA-N 0 0 329.396 2.739 10 10 EFCERN CN(CCOc1ccccc1Cl)C(=O)Cc1ccc(O)c(O)c1 ZINC001587383507 1092807820 /nfs/dbraw/zinc/80/78/20/1092807820.db2.gz ZJSUDKCPJJPJGB-UHFFFAOYSA-N 0 0 335.787 2.831 10 10 EFCERN CN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000708089137 1092972608 /nfs/dbraw/zinc/97/26/08/1092972608.db2.gz KENCELUUIFSEQI-LLVKDONJSA-N 0 0 333.657 2.992 10 10 EFCERN C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708088732 1092973198 /nfs/dbraw/zinc/97/31/98/1092973198.db2.gz INIZMUBSZLPHMG-LLVKDONJSA-N 0 0 333.657 2.992 10 10 EFCERN COc1ccc2[nH]cc(CCNC(=O)c3c(F)ccc(O)c3O)c2c1 ZINC001650797024 1093495528 /nfs/dbraw/zinc/49/55/28/1093495528.db2.gz MEUQAEUNMSQEFY-UHFFFAOYSA-N 0 0 344.342 2.699 10 10 EFCERN CN(Cc1ccccc1O)c1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC001650881639 1093503195 /nfs/dbraw/zinc/50/31/95/1093503195.db2.gz TWPNXOFOVCGEKH-UHFFFAOYSA-N 0 0 336.800 2.716 10 10 EFCERN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001650913063 1093508045 /nfs/dbraw/zinc/50/80/45/1093508045.db2.gz YLONSYSKWIEEDK-FVMDXXJSSA-N 0 0 337.322 2.882 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc(-c2c(F)cccc2F)no1 ZINC001651176069 1093536353 /nfs/dbraw/zinc/53/63/53/1093536353.db2.gz ZHDGJOFDIFOIGU-UHFFFAOYSA-N 0 0 346.289 2.961 10 10 EFCERN CC(C)Cn1ncc(C(=O)NCc2cc(O)ccc2O)c1C1CC1 ZINC001651222509 1093540872 /nfs/dbraw/zinc/54/08/72/1093540872.db2.gz JBFGQLQSICNAEQ-UHFFFAOYSA-N 0 0 329.400 2.758 10 10 EFCERN CCOc1ccc(C[C@@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225288 1093542752 /nfs/dbraw/zinc/54/27/52/1093542752.db2.gz DCVBIKYUSMLQSV-CYBMUJFWSA-N 0 0 329.396 2.992 10 10 EFCERN O=C(COc1cccc(C(F)(F)F)c1)NCc1cc(O)ccc1O ZINC001593869173 1094412859 /nfs/dbraw/zinc/41/28/59/1094412859.db2.gz SBAZQZPMTBRMSE-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN Cc1nccnc1[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001594716764 1094434442 /nfs/dbraw/zinc/43/44/42/1094434442.db2.gz AOOVSOQCIOQYGN-SECBINFHSA-N 0 0 329.381 2.902 10 10 EFCERN COc1cccc(O)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001595436241 1094468272 /nfs/dbraw/zinc/46/82/72/1094468272.db2.gz ULUXAWABKKAYQC-UHFFFAOYSA-N 0 0 326.396 2.931 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(OCC(F)(F)F)o1 ZINC001595595979 1094478481 /nfs/dbraw/zinc/47/84/81/1094478481.db2.gz ODIWKQJRMBWARW-UHFFFAOYSA-N 0 0 331.246 2.562 10 10 EFCERN O=C(Cc1c[nH]c2nccc(Cl)c12)NCCc1ccc(O)c(O)c1 ZINC001595751030 1094491752 /nfs/dbraw/zinc/49/17/52/1094491752.db2.gz BPAIJYNLGWKEEZ-UHFFFAOYSA-N 0 0 345.786 2.529 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cn2)c1 ZINC001595806706 1094495685 /nfs/dbraw/zinc/49/56/85/1094495685.db2.gz SGJWXGQRFYGOML-LLVKDONJSA-N 0 0 338.367 2.677 10 10 EFCERN C[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(F)c1 ZINC001596686887 1094541646 /nfs/dbraw/zinc/54/16/46/1094541646.db2.gz HCHIERMIKAPXNK-KRWDZBQOSA-N 0 0 344.346 2.626 10 10 EFCERN O=C(CCc1cc2ccccc2[nH]c1=O)NCc1c(O)cccc1O ZINC001597575143 1094603445 /nfs/dbraw/zinc/60/34/45/1094603445.db2.gz YRVWMOBGOJTJGK-UHFFFAOYSA-N 0 0 338.363 2.601 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000782967403 1094618900 /nfs/dbraw/zinc/61/89/00/1094618900.db2.gz PLHGKVDCWCFYBP-QPBFKRLHSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001597907385 1094637512 /nfs/dbraw/zinc/63/75/12/1094637512.db2.gz DZGRANRTSGABNC-WDYCEAGBSA-N 0 0 346.471 2.642 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC001598090403 1094654075 /nfs/dbraw/zinc/65/40/75/1094654075.db2.gz OIQDMKMSUWOYCJ-HNNXBMFYSA-N 0 0 345.370 2.849 10 10 EFCERN Cn1cnc(/C=C\C(=O)N2CCc3c2cccc3Br)c1 ZINC001598144991 1094658018 /nfs/dbraw/zinc/65/80/18/1094658018.db2.gz FDIZFKCRWLMYIE-WAYWQWQTSA-N 0 0 332.201 2.785 10 10 EFCERN CCOC(=O)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001598189334 1094661516 /nfs/dbraw/zinc/66/15/16/1094661516.db2.gz NBFMOSIUMWPXPS-UHFFFAOYSA-N 0 0 349.427 2.660 10 10 EFCERN COc1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC000092539817 1094788900 /nfs/dbraw/zinc/78/89/00/1094788900.db2.gz JREPAOLEHCPMOQ-UHFFFAOYSA-N 0 0 332.444 2.625 10 10 EFCERN Cc1cc(CC(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001167848006 1095441250 /nfs/dbraw/zinc/44/12/50/1095441250.db2.gz MJPWAERJYAEOSA-JCNLHEQBSA-N 0 0 332.831 2.930 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C\c1cnccc1C ZINC001269399372 1098113926 /nfs/dbraw/zinc/11/39/26/1098113926.db2.gz CGJCSFRUPNOLQD-HJWRWDBZSA-N 0 0 340.379 2.861 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C/c1cnccc1C ZINC001269399371 1098114085 /nfs/dbraw/zinc/11/40/85/1098114085.db2.gz CGJCSFRUPNOLQD-CMDGGOBGSA-N 0 0 340.379 2.861 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3ccnn3)cc2)cc1 ZINC001611027893 1098971935 /nfs/dbraw/zinc/97/19/35/1098971935.db2.gz OCBVCIRMOKQERP-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN COC(=O)c1cnc(SCc2ccc(S(C)(=O)=O)cc2)s1 ZINC001613811644 1099108437 /nfs/dbraw/zinc/10/84/37/1099108437.db2.gz COFVIDKTRWRHAE-UHFFFAOYSA-N 0 0 343.451 2.626 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC[C@@H]1C ZINC001613923174 1099111440 /nfs/dbraw/zinc/11/14/40/1099111440.db2.gz IHRUUEWCEQZSIV-GJZGRUSLSA-N 0 0 344.459 2.855 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC[C@@H]1C ZINC001613923176 1099111680 /nfs/dbraw/zinc/11/16/80/1099111680.db2.gz IHRUUEWCEQZSIV-LSDHHAIUSA-N 0 0 344.459 2.855 10 10 EFCERN CC(C)C(=O)Nc1cccc(OC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001617085145 1099211623 /nfs/dbraw/zinc/21/16/23/1099211623.db2.gz BOXCRCWCNOTIPC-UHFFFAOYSA-N 0 0 329.352 2.840 10 10 EFCERN COc1cc(F)c([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001617108787 1099214160 /nfs/dbraw/zinc/21/41/60/1099214160.db2.gz YVDQCJQGDKGFNJ-SNVBAGLBSA-N 0 0 349.358 2.674 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cccnn2)ccc1C ZINC001618014970 1099273558 /nfs/dbraw/zinc/27/35/58/1099273558.db2.gz PMAODZGKKZNIGC-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001622058695 1099472278 /nfs/dbraw/zinc/47/22/78/1099472278.db2.gz VKVQZQIFHSCOAN-UHFFFAOYSA-N 0 0 346.330 2.774 10 10 EFCERN C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1c(F)cccc1Cl ZINC001622547273 1099524482 /nfs/dbraw/zinc/52/44/82/1099524482.db2.gz WNLKLVMVUZTJLX-RMLUDKJBSA-N 0 0 339.750 2.742 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1 ZINC001622596080 1099529064 /nfs/dbraw/zinc/52/90/64/1099529064.db2.gz HDMCZCXOVKYHKR-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001622664542 1099535564 /nfs/dbraw/zinc/53/55/64/1099535564.db2.gz XFTWJQKCPAVZRG-UHFFFAOYSA-N 0 0 341.367 2.691 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H](O)c1ccccc1C(F)(F)F ZINC001622772753 1099541646 /nfs/dbraw/zinc/54/16/46/1099541646.db2.gz FSQRXDPGYWECCR-AWEZNQCLSA-N 0 0 325.286 2.761 10 10 EFCERN COc1cccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1O ZINC001622779515 1099542972 /nfs/dbraw/zinc/54/29/72/1099542972.db2.gz QJLVFXYANSNOFR-UHFFFAOYSA-N 0 0 334.303 2.687 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1nccn1C ZINC001623549557 1099599958 /nfs/dbraw/zinc/59/99/58/1099599958.db2.gz FKWOTYWRBDDIST-UHFFFAOYSA-N 0 0 326.444 2.612 10 10 EFCERN Cc1cc(CCNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c(C)n1-c1ccccc1 ZINC001623739782 1099619259 /nfs/dbraw/zinc/61/92/59/1099619259.db2.gz XTHPPJDKDKMVAF-MISYRCLQSA-N 0 0 336.435 2.978 10 10 EFCERN COc1ccc(CNC(=O)CCSc2nccs2)c(OC)c1 ZINC000829092851 1099640683 /nfs/dbraw/zinc/64/06/83/1099640683.db2.gz PZNOBBUTRXFASC-UHFFFAOYSA-N 0 0 338.454 2.959 10 10 EFCERN COC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001624279597 1099679191 /nfs/dbraw/zinc/67/91/91/1099679191.db2.gz PTOUQUVKOKKRDX-UHFFFAOYSA-N 0 0 326.312 2.888 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CO)cc1 ZINC001624295286 1099680342 /nfs/dbraw/zinc/68/03/42/1099680342.db2.gz YBEXKJNOTLDHDL-INIZCTEOSA-N 0 0 338.367 2.581 10 10 EFCERN COc1ccc(C[C@H](C)CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001624349337 1099684807 /nfs/dbraw/zinc/68/48/07/1099684807.db2.gz SOGGPZLVNSICCM-AWEZNQCLSA-N 0 0 343.423 2.986 10 10 EFCERN Cc1cnc2c(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)cnn2c1 ZINC001624630370 1099713867 /nfs/dbraw/zinc/71/38/67/1099713867.db2.gz NQGZDPIHFOIWKO-UHFFFAOYSA-N 0 0 349.438 2.910 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)C1(C(F)F)CC1 ZINC000843768693 1099744553 /nfs/dbraw/zinc/74/45/53/1099744553.db2.gz JORRPTXITNENLR-UHFFFAOYSA-N 0 0 326.412 2.901 10 10 EFCERN Cc1cc(CC(=O)N2NC(=O)C[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001625064607 1099765381 /nfs/dbraw/zinc/76/53/81/1099765381.db2.gz STCYWEKIOQGXMN-LBPRGKRZSA-N 0 0 345.830 2.942 10 10 EFCERN COCc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001625164463 1099775814 /nfs/dbraw/zinc/77/58/14/1099775814.db2.gz YZJQUGZRDTVQGX-UHFFFAOYSA-N 0 0 326.356 2.925 10 10 EFCERN O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cccc(O)c1O ZINC001625241446 1099786083 /nfs/dbraw/zinc/78/60/83/1099786083.db2.gz ZWRQWQVJENMDGO-UHFFFAOYSA-N 0 0 330.315 2.616 10 10 EFCERN CC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001625416476 1099807651 /nfs/dbraw/zinc/80/76/51/1099807651.db2.gz OTRFOUVLXYUQLH-UHFFFAOYSA-N 0 0 342.395 2.551 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001625638434 1099836131 /nfs/dbraw/zinc/83/61/31/1099836131.db2.gz NOYXMQWKJPGRRU-FQEVSTJZSA-N 0 0 339.391 2.688 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cccc(O)c3F)CC2)cc1 ZINC001626479654 1099879488 /nfs/dbraw/zinc/87/94/88/1099879488.db2.gz LMBWYACHESCSOK-UHFFFAOYSA-N 0 0 344.386 2.939 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001626691699 1099905788 /nfs/dbraw/zinc/90/57/88/1099905788.db2.gz SRIKKDXADMUVPI-KRWDZBQOSA-N 0 0 349.333 2.519 10 10 EFCERN CC(C)(C)OC(=O)Nc1ccoc1C(=O)NCc1ccc(O)cc1O ZINC001626837652 1099923613 /nfs/dbraw/zinc/92/36/13/1099923613.db2.gz BRXHZKPSUINLCO-UHFFFAOYSA-N 0 0 348.355 2.968 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(F)c1Br ZINC001626838215 1099923736 /nfs/dbraw/zinc/92/37/36/1099923736.db2.gz RXVYILROIHQEFE-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN COc1ccc(C=O)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001626940544 1099938770 /nfs/dbraw/zinc/93/87/70/1099938770.db2.gz KWANBEXQENMKRC-UHFFFAOYSA-N 0 0 338.407 2.820 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(NC(=O)NC)c1 ZINC001627028635 1099948884 /nfs/dbraw/zinc/94/88/84/1099948884.db2.gz LTGCQTLJKFESHD-UHFFFAOYSA-N 0 0 348.399 2.559 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001627026788 1099949322 /nfs/dbraw/zinc/94/93/22/1099949322.db2.gz XRCIPZPXPQVRBK-ZDUSSCGKSA-N 0 0 345.395 2.620 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1-c1ccccn1 ZINC001627073230 1099954527 /nfs/dbraw/zinc/95/45/27/1099954527.db2.gz NGJNWBLYPKWYLM-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001627604727 1100013442 /nfs/dbraw/zinc/01/34/42/1100013442.db2.gz PONSXMAMQJCXLJ-UHFFFAOYSA-N 0 0 346.402 2.942 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N[C@@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC001627913234 1100041984 /nfs/dbraw/zinc/04/19/84/1100041984.db2.gz RSRDHXGDCBYIOS-NSHDSACASA-N 0 0 345.830 2.708 10 10 EFCERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(Cl)c1OC ZINC001628051607 1100054932 /nfs/dbraw/zinc/05/49/32/1100054932.db2.gz DSRXNOKFARLEPZ-UHFFFAOYSA-N 0 0 337.759 2.950 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc(-c2ccccn2)cs1 ZINC001628164955 1100070232 /nfs/dbraw/zinc/07/02/32/1100070232.db2.gz UKOFPWKLICJOHB-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1C(N)=O ZINC001628556476 1100112705 /nfs/dbraw/zinc/11/27/05/1100112705.db2.gz JHHFKUMZOSMILY-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001628666384 1100122369 /nfs/dbraw/zinc/12/23/69/1100122369.db2.gz BXQXKMJOKYHICD-INIZCTEOSA-N 0 0 348.761 2.994 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cccc(Cn2ccnn2)c1 ZINC001628680425 1100124009 /nfs/dbraw/zinc/12/40/09/1100124009.db2.gz ICVLGUMWCBGBQP-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cc(-n2ccnc2)ccc1O ZINC001628680570 1100124705 /nfs/dbraw/zinc/12/47/05/1100124705.db2.gz NFVDPKGHKCDEEY-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC001628788093 1100135072 /nfs/dbraw/zinc/13/50/72/1100135072.db2.gz PGAVPDYAHNBRDW-GOSISDBHSA-N 0 0 343.379 2.614 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)c(F)cc3N)C2)cc1 ZINC001629083609 1100167979 /nfs/dbraw/zinc/16/79/79/1100167979.db2.gz JBFAUAVRELFGAH-CYBMUJFWSA-N 0 0 343.402 2.734 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001630306983 1100292130 /nfs/dbraw/zinc/29/21/30/1100292130.db2.gz QSTVIXVGMWWUJC-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN COc1cccc(CNC(=O)COCc2cccc(Cl)c2)c1O ZINC001630366469 1100298538 /nfs/dbraw/zinc/29/85/38/1100298538.db2.gz QQVJFYMCVNCJPU-UHFFFAOYSA-N 0 0 335.787 2.887 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnc3cccc(C)n32)c1 ZINC001630365652 1100298675 /nfs/dbraw/zinc/29/86/75/1100298675.db2.gz BOXDVESULOLMGB-LBPRGKRZSA-N 0 0 325.368 2.848 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(-c3ncc[nH]3)n2)c1 ZINC001630373457 1100300607 /nfs/dbraw/zinc/30/06/07/1100300607.db2.gz RGHUDRYGNZYPDO-SECBINFHSA-N 0 0 344.396 2.738 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)c2cccs2)cc1 ZINC001630513957 1100312574 /nfs/dbraw/zinc/31/25/74/1100312574.db2.gz FMVFISSIDWMLFN-LBPRGKRZSA-N 0 0 332.385 2.764 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc2ccccc2oc1=O ZINC001630528610 1100314480 /nfs/dbraw/zinc/31/44/80/1100314480.db2.gz UOITWLIGSTWYOD-UHFFFAOYSA-N 0 0 346.342 2.977 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccc(=O)n(C)c1 ZINC001630785449 1100340238 /nfs/dbraw/zinc/34/02/38/1100340238.db2.gz JWPZIQNPSWIMFK-UHFFFAOYSA-N 0 0 349.390 2.858 10 10 EFCERN COc1ccc2onc(CC(=O)N(C)Cc3ccccc3O)c2c1 ZINC001631151236 1100374983 /nfs/dbraw/zinc/37/49/83/1100374983.db2.gz DQEGXHOQKOKFIG-UHFFFAOYSA-N 0 0 326.352 2.743 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cc1C(F)(F)F ZINC001631154857 1100376287 /nfs/dbraw/zinc/37/62/87/1100376287.db2.gz KJBYJKYDIPEZJI-UHFFFAOYSA-N 0 0 326.274 2.784 10 10 EFCERN Cc1ccn2cnc(C(=O)NCc3ccc4c(c3)CCCN4C)c2c1 ZINC001631322639 1100388120 /nfs/dbraw/zinc/38/81/20/1100388120.db2.gz MQIKFJXWPUQVSH-UHFFFAOYSA-N 0 0 334.423 2.955 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)[nH]nc1C(F)(F)F ZINC001631437883 1100399234 /nfs/dbraw/zinc/39/92/34/1100399234.db2.gz FWWSTNHBYYJDOO-UHFFFAOYSA-N 0 0 344.312 2.872 10 10 EFCERN COCC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccco1 ZINC001631458884 1100400617 /nfs/dbraw/zinc/40/06/17/1100400617.db2.gz DLKBGSNWVZOSDA-ZDUSSCGKSA-N 0 0 330.344 2.950 10 10 EFCERN O=C(NCc1ccccc1O)c1c(C(F)(F)F)nc2ccccn21 ZINC001631540121 1100408354 /nfs/dbraw/zinc/40/83/54/1100408354.db2.gz JRZCDGMALGJCIN-UHFFFAOYSA-N 0 0 335.285 2.989 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC001631894896 1100437872 /nfs/dbraw/zinc/43/78/72/1100437872.db2.gz DMWHPRDKSKDSJV-HKUYNNGSSA-N 0 0 327.380 2.677 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC001631894897 1100438050 /nfs/dbraw/zinc/43/80/50/1100438050.db2.gz DMWHPRDKSKDSJV-IEBWSBKVSA-N 0 0 327.380 2.677 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001632201320 1100459636 /nfs/dbraw/zinc/45/96/36/1100459636.db2.gz NIKCWLPTMVGALJ-HNNXBMFYSA-N 0 0 341.285 2.875 10 10 EFCERN CC(=O)N1CCc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001632223510 1100460439 /nfs/dbraw/zinc/46/04/39/1100460439.db2.gz KIOKNRRSDONORR-UHFFFAOYSA-N 0 0 344.798 2.885 10 10 EFCERN Nc1c(C(=O)NCc2cc(Cl)ccc2O)cc(F)cc1[N+](=O)[O-] ZINC001632224108 1100460457 /nfs/dbraw/zinc/46/04/57/1100460457.db2.gz VHADKTOBOILDNQ-UHFFFAOYSA-N 0 0 339.710 2.605 10 10 EFCERN C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001632255244 1100462597 /nfs/dbraw/zinc/46/25/97/1100462597.db2.gz NVYWUMWZTBMTLB-NSHDSACASA-N 0 0 326.352 2.713 10 10 EFCERN Nc1c(F)cccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001632398363 1100471451 /nfs/dbraw/zinc/47/14/51/1100471451.db2.gz GAMIYFGZQFMUQF-CQSZACIVSA-N 0 0 344.386 2.935 10 10 EFCERN Cc1cccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001632532888 1100480846 /nfs/dbraw/zinc/48/08/46/1100480846.db2.gz SMWXIIJPDGMKQL-LBPRGKRZSA-N 0 0 348.424 2.563 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2cnccc21 ZINC001632680861 1100492784 /nfs/dbraw/zinc/49/27/84/1100492784.db2.gz GYLBOLGWWLSKIQ-ZDUSSCGKSA-N 0 0 336.391 2.936 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccnc1N1CCCCC1 ZINC001632861174 1100504989 /nfs/dbraw/zinc/50/49/89/1100504989.db2.gz QHBBTCPRTHMPCP-UHFFFAOYSA-N 0 0 327.384 2.664 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2noc(-c3ccc(F)cc3)n2)c1 ZINC001633282414 1100533759 /nfs/dbraw/zinc/53/37/59/1100533759.db2.gz IBPWMAOJMKPPLN-UHFFFAOYSA-N 0 0 327.315 2.820 10 10 EFCERN CCCCCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001633473231 1100544823 /nfs/dbraw/zinc/54/48/23/1100544823.db2.gz LKRPRCCZQUGGEV-AWEZNQCLSA-N 0 0 337.416 2.659 10 10 EFCERN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cc(O)ccc1O ZINC001633595494 1100552765 /nfs/dbraw/zinc/55/27/65/1100552765.db2.gz YVVCXGHGJKFYSA-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc2cc(O)c(O)cc2s1 ZINC001633598858 1100553041 /nfs/dbraw/zinc/55/30/41/1100553041.db2.gz DVLUSCMPMPZNAG-UHFFFAOYSA-N 0 0 331.349 2.654 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@@H]1c1ccccc1 ZINC001633708365 1100560324 /nfs/dbraw/zinc/56/03/24/1100560324.db2.gz CQLMVTFEIVRQJF-OAHLLOKOSA-N 0 0 329.421 2.957 10 10 EFCERN O=C(N[C@H](CO)CC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001633775831 1100565576 /nfs/dbraw/zinc/56/55/76/1100565576.db2.gz UGZLCFWWKGLPTF-LBPRGKRZSA-N 0 0 335.425 2.984 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001633819950 1100567639 /nfs/dbraw/zinc/56/76/39/1100567639.db2.gz XTLIUPWWXBSZAS-GFCCVEGCSA-N 0 0 337.379 2.849 10 10 EFCERN COc1ccc(CNC(=O)c2nscc2Br)c(O)c1 ZINC001633926459 1100575009 /nfs/dbraw/zinc/57/50/09/1100575009.db2.gz DVNLNCFGAQGDOP-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](CO)[C@H]1C ZINC001634137650 1100587065 /nfs/dbraw/zinc/58/70/65/1100587065.db2.gz IQTXGOZHXRXJEW-GDBMZVCRSA-N 0 0 340.423 2.750 10 10 EFCERN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1ccccc1 ZINC001634362719 1100602734 /nfs/dbraw/zinc/60/27/34/1100602734.db2.gz CJYNFQCEADOXBN-RTBURBONSA-N 0 0 329.396 2.515 10 10 EFCERN O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C1=CC(=O)CS1 ZINC001634546876 1100615126 /nfs/dbraw/zinc/61/51/26/1100615126.db2.gz IJWBJIKIIJJMBA-UHFFFAOYSA-N 0 0 345.359 2.698 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCCO[C@H]2CCCCO2)cc1 ZINC001634703516 1100624983 /nfs/dbraw/zinc/62/49/83/1100624983.db2.gz FFGGMTFFCMGWQK-AWEZNQCLSA-N 0 0 334.376 2.512 10 10 EFCERN COc1cccc(C(F)(F)C(=O)NCc2ccc(OC)cc2O)c1 ZINC001635042999 1100641485 /nfs/dbraw/zinc/64/14/85/1100641485.db2.gz ZKYURWDCWAEGEZ-UHFFFAOYSA-N 0 0 337.322 2.818 10 10 EFCERN C[Si](C)(CNC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001635195663 1100648692 /nfs/dbraw/zinc/64/86/92/1100648692.db2.gz AHBLGYNQUWAXBP-UHFFFAOYSA-N 0 0 348.906 3.000 10 10 EFCERN COc1cccc(-c2cc(C(=O)NCc3c(O)cccc3F)[nH]n2)c1 ZINC001635360440 1100656633 /nfs/dbraw/zinc/65/66/33/1100656633.db2.gz MDXYSJRKWWYZFH-UHFFFAOYSA-N 0 0 341.342 2.860 10 10 EFCERN Cc1ccc(C(=O)NCc2ccncc2C(F)(F)F)c(O)c1O ZINC001635388404 1100659461 /nfs/dbraw/zinc/65/94/61/1100659461.db2.gz ZQDLKSYWOVONSK-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN CC1(C)CCC[C@](O)(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001635546298 1100667336 /nfs/dbraw/zinc/66/73/36/1100667336.db2.gz AMTORJMPFLOFAR-SUOMESGTSA-N 0 0 333.428 2.949 10 10 EFCERN C[C@@H](NC(=O)c1ccc2nnc(C(F)F)n2c1)c1ccccc1O ZINC001635794016 1100680066 /nfs/dbraw/zinc/68/00/66/1100680066.db2.gz SCQJODCPFBMKPL-SECBINFHSA-N 0 0 332.310 2.864 10 10 EFCERN O=C(NCc1nccc(C(F)F)n1)NCc1cc(Cl)ccc1O ZINC001635802109 1100680778 /nfs/dbraw/zinc/68/07/78/1100680778.db2.gz UCFVLFXXWZPHCI-UHFFFAOYSA-N 0 0 342.733 2.773 10 10 EFCERN Cc1cnc(F)c(C(=O)NCc2cccc(Br)c2O)c1 ZINC001635839771 1100682900 /nfs/dbraw/zinc/68/29/00/1100682900.db2.gz LPMZAACNFKWOMX-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN Cc1nc(Br)sc1C(=O)NCc1c(O)cccc1O ZINC001635846838 1100683804 /nfs/dbraw/zinc/68/38/04/1100683804.db2.gz CBBNDTKXCIGSPA-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(OC(F)F)cc1F ZINC001636022600 1100694699 /nfs/dbraw/zinc/69/46/99/1100694699.db2.gz MXSYTGIZICGUJN-UHFFFAOYSA-N 0 0 341.285 2.811 10 10 EFCERN O=C(CCc1nc(-c2ccsc2)no1)N1Cc2cccc(O)c2C1 ZINC001636231102 1100708176 /nfs/dbraw/zinc/70/81/76/1100708176.db2.gz QQENACXUQHFKTP-UHFFFAOYSA-N 0 0 341.392 2.979 10 10 EFCERN CCOC(=O)/C=C\c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001636343843 1100714233 /nfs/dbraw/zinc/71/42/33/1100714233.db2.gz XXUWOTUANWSJOG-POHAHGRESA-N 0 0 341.363 2.855 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001636440446 1100719267 /nfs/dbraw/zinc/71/92/67/1100719267.db2.gz APCSFAWZRZBQLE-UHFFFAOYSA-N 0 0 339.351 2.669 10 10 EFCERN CCc1noc([C@@H]2CC[C@@H](NC(=O)/C=C\c3ccc(O)c(O)c3)C2)n1 ZINC001636675763 1100732343 /nfs/dbraw/zinc/73/23/43/1100732343.db2.gz SJSJZHNJXZNBFG-BJLPKZDCSA-N 0 0 343.383 2.509 10 10 EFCERN CC(C)(CO)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001636730058 1100735030 /nfs/dbraw/zinc/73/50/30/1100735030.db2.gz JGIFGEVDZKMMTN-MRXNPFEDSA-N 0 0 343.423 2.559 10 10 EFCERN CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001637122419 1100758432 /nfs/dbraw/zinc/75/84/32/1100758432.db2.gz GHDUYGRHWWNMSB-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN C[Si](C)(C)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001637126286 1100758473 /nfs/dbraw/zinc/75/84/73/1100758473.db2.gz RKTGHJOKDJIZGP-UHFFFAOYSA-N 0 0 329.472 2.502 10 10 EFCERN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001637126074 1100758703 /nfs/dbraw/zinc/75/87/03/1100758703.db2.gz LIJBOMRLPCLGIW-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cc(O)ccc2O)c1 ZINC001637126280 1100758884 /nfs/dbraw/zinc/75/88/84/1100758884.db2.gz REXSEXLTSWGSCQ-HOCLYGCPSA-N 0 0 343.379 2.535 10 10 EFCERN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001637899522 1100815209 /nfs/dbraw/zinc/81/52/09/1100815209.db2.gz CEVZBMSROMICIP-OQPBUACISA-N 0 0 343.351 2.591 10 10 EFCERN COc1ccc(CNC(=O)NCc2ncc(Cl)s2)c(O)c1 ZINC001638161095 1100839493 /nfs/dbraw/zinc/83/94/93/1100839493.db2.gz UMCNQWFNZGXAJH-UHFFFAOYSA-N 0 0 327.793 2.510 10 10 EFCERN COc1cccc(CNC(=O)NCc2cccc3ncccc23)c1O ZINC001638195422 1100840791 /nfs/dbraw/zinc/84/07/91/1100840791.db2.gz DYJAMMQONRCRAL-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1cnccn1 ZINC001638273178 1100845438 /nfs/dbraw/zinc/84/54/38/1100845438.db2.gz QICWVHZHUNUXDU-CYBMUJFWSA-N 0 0 344.378 2.929 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001638347036 1100850520 /nfs/dbraw/zinc/85/05/20/1100850520.db2.gz AYFITWFMVYIELM-NSHDSACASA-N 0 0 338.363 2.713 10 10 EFCERN Nc1c(C(=O)NCc2ccc(O)cc2O)ccnc1-c1ccccc1 ZINC001638351732 1100850929 /nfs/dbraw/zinc/85/09/29/1100850929.db2.gz DQLZEEITHFWRHQ-UHFFFAOYSA-N 0 0 335.363 2.672 10 10 EFCERN C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001638348655 1100851406 /nfs/dbraw/zinc/85/14/06/1100851406.db2.gz WTJZBKZZYDVYPD-LBPRGKRZSA-N 0 0 340.379 2.583 10 10 EFCERN O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001638352835 1100851636 /nfs/dbraw/zinc/85/16/36/1100851636.db2.gz WFZSAORFTIVTET-UHFFFAOYSA-N 0 0 340.301 2.845 10 10 EFCERN Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001638393823 1100855017 /nfs/dbraw/zinc/85/50/17/1100855017.db2.gz BFBUZPCDYJSVPL-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN Cc1cccc2c1O[C@H](C(=O)NCc1ccc3cccnc3c1O)C2 ZINC001638573104 1100870059 /nfs/dbraw/zinc/87/00/59/1100870059.db2.gz JBBYXQZPOCMANK-INIZCTEOSA-N 0 0 334.375 2.869 10 10 EFCERN COc1ccccc1OCC(=O)NCc1ccc2cccnc2c1O ZINC001638570034 1100870223 /nfs/dbraw/zinc/87/02/23/1100870223.db2.gz RMXWRZOWKJTCAW-UHFFFAOYSA-N 0 0 338.363 2.644 10 10 EFCERN CN1CCOc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc21 ZINC001639255232 1100930427 /nfs/dbraw/zinc/93/04/27/1100930427.db2.gz CQGDACQCSDYTED-UHFFFAOYSA-N 0 0 339.355 2.930 10 10 EFCERN O=C(COc1ccc(F)cc1Cl)NCc1c(O)cccc1O ZINC001639289643 1100933948 /nfs/dbraw/zinc/93/39/48/1100933948.db2.gz VSXHCZJDUCXTNN-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(-c2c[nH]c3ccccc32)n[nH]1 ZINC001639292589 1100934772 /nfs/dbraw/zinc/93/47/72/1100934772.db2.gz IZBCYDFMUPFDNM-UHFFFAOYSA-N 0 0 348.362 2.899 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001639340726 1100940134 /nfs/dbraw/zinc/94/01/34/1100940134.db2.gz DFUNITLUGDEUQE-CQSZACIVSA-N 0 0 342.439 2.762 10 10 EFCERN Cn1c(=O)c([N+](=O)[O-])c(NCc2ccccc2O)c2ccccc21 ZINC001639371421 1100941833 /nfs/dbraw/zinc/94/18/33/1100941833.db2.gz YSMCTGJGBNRAKT-UHFFFAOYSA-N 0 0 325.324 2.764 10 10 EFCERN O=C(/C=C\COC1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001639387741 1100942956 /nfs/dbraw/zinc/94/29/56/1100942956.db2.gz QBEVYRKHFHGYEE-UTCJRWHESA-N 0 0 341.407 2.913 10 10 EFCERN C[C@H](NC(=O)c1ccoc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384620 1100943587 /nfs/dbraw/zinc/94/35/87/1100943587.db2.gz MVKBYHBLVSYINS-LBPRGKRZSA-N 0 0 338.363 2.573 10 10 EFCERN COc1ccc(CNC(=O)c2cccc(N=S(C)(C)=O)c2)c(O)c1 ZINC001639455736 1100951726 /nfs/dbraw/zinc/95/17/26/1100951726.db2.gz GZKJOWRSNQEIKD-UHFFFAOYSA-N 0 0 348.424 2.690 10 10 EFCERN COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2N)c(O)c1 ZINC001639459267 1100952166 /nfs/dbraw/zinc/95/21/66/1100952166.db2.gz WHNZKWRKFOWBKB-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001639489355 1100954879 /nfs/dbraw/zinc/95/48/79/1100954879.db2.gz GYUWRZFPECCHFG-OAHLLOKOSA-N 0 0 335.400 2.730 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)C(F)(F)c1nccs1 ZINC001639621866 1100967458 /nfs/dbraw/zinc/96/74/58/1100967458.db2.gz XIQWPTRWYZIKDG-UHFFFAOYSA-N 0 0 335.335 2.805 10 10 EFCERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001639891782 1100993921 /nfs/dbraw/zinc/99/39/21/1100993921.db2.gz JABUGHLFLBOHLD-LBPRGKRZSA-N 0 0 334.376 2.557 10 10 EFCERN CON(C)CCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001640161258 1101019064 /nfs/dbraw/zinc/01/90/64/1101019064.db2.gz DBTZKBBZOZDEIC-UHFFFAOYSA-N 0 0 333.407 2.846 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000055207472 1101021916 /nfs/dbraw/zinc/02/19/16/1101021916.db2.gz VDPDLHWAFBWJAM-UHFFFAOYSA-N 0 0 337.427 2.546 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000840360889 1101022592 /nfs/dbraw/zinc/02/25/92/1101022592.db2.gz WHEATUMDCRFGQK-QLBOMPFWSA-N 0 0 346.383 2.786 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNc1ccccc1OC ZINC001640259754 1101030817 /nfs/dbraw/zinc/03/08/17/1101030817.db2.gz CDQNAEPZHYJJFP-UHFFFAOYSA-N 0 0 335.400 2.615 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001640402327 1101044101 /nfs/dbraw/zinc/04/41/01/1101044101.db2.gz QAFWIPKOIRKZKF-GFCCVEGCSA-N 0 0 330.771 2.788 10 10 EFCERN O=CC1=S=C(c2ccc(C(=O)Nc3cccc4nonc43)cc2)C=C1 ZINC001640442375 1101047334 /nfs/dbraw/zinc/04/73/34/1101047334.db2.gz AEYVXQIYHLGRML-UHFFFAOYSA-N 0 0 349.371 2.670 10 10 EFCERN C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640454653 1101049486 /nfs/dbraw/zinc/04/94/86/1101049486.db2.gz XIOHEPGPJGYJEX-DIFFPNOSSA-N 0 0 343.387 2.675 10 10 EFCERN CCn1ccnc1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840384488 1101052633 /nfs/dbraw/zinc/05/26/33/1101052633.db2.gz HEAFUSMVFXUOMW-OAHLLOKOSA-N 0 0 343.475 2.708 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cccc(NC(=O)N(C)C)c2)c1 ZINC001640797029 1101079810 /nfs/dbraw/zinc/07/98/10/1101079810.db2.gz WREDVJCSPZLDHF-UHFFFAOYSA-N 0 0 327.384 2.724 10 10 EFCERN COC(=O)c1cccc(NC(=O)NCc2cccc(OC)c2O)c1C ZINC000729555426 1101111881 /nfs/dbraw/zinc/11/18/81/1101111881.db2.gz KVJJBYHRXLOFJI-UHFFFAOYSA-N 0 0 344.367 2.818 10 10 EFCERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](CO)c1ccccc1 ZINC001641314007 1101125439 /nfs/dbraw/zinc/12/54/39/1101125439.db2.gz OEYVLNFLOPUDMO-OAHLLOKOSA-N 0 0 326.356 2.655 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]cc(Cl)c1=O ZINC001641325134 1101126690 /nfs/dbraw/zinc/12/66/90/1101126690.db2.gz DTWNTQJHYSNXMZ-UHFFFAOYSA-N 0 0 332.787 2.543 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001641489404 1101141127 /nfs/dbraw/zinc/14/11/27/1101141127.db2.gz UTOMLLQRLBPYDD-GMNBZTITSA-N 0 0 343.354 2.850 10 10 EFCERN COC(=O)[C@H](COC1CCC1)N(C)Cc1ccc(N(C)C)c(C)c1 ZINC001642281171 1101203199 /nfs/dbraw/zinc/20/31/99/1101203199.db2.gz FZLCJJNDSLPCOB-SFHVURJKSA-N 0 0 334.460 2.604 10 10 EFCERN COC(=O)Cc1ccc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC001642458115 1101214790 /nfs/dbraw/zinc/21/47/90/1101214790.db2.gz COAKMYVEVWVMEN-UHFFFAOYSA-N 0 0 330.340 2.652 10 10 EFCERN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001642827877 1101245876 /nfs/dbraw/zinc/24/58/76/1101245876.db2.gz ULIYFDWWBFYCBN-GFCCVEGCSA-N 0 0 329.356 2.614 10 10 EFCERN O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001643103628 1101270007 /nfs/dbraw/zinc/27/00/07/1101270007.db2.gz CRVBLUXIFBGQCB-UHFFFAOYSA-N 0 0 341.285 2.855 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001643104031 1101270666 /nfs/dbraw/zinc/27/06/66/1101270666.db2.gz LJYMGFUWQRIBFL-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1Cc2cccc(O)c2C1 ZINC001643169267 1101276574 /nfs/dbraw/zinc/27/65/74/1101276574.db2.gz PKGNWBWXIKCQHX-UHFFFAOYSA-N 0 0 340.770 2.782 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1C(C)(C)C1(C)C ZINC001643245477 1101283905 /nfs/dbraw/zinc/28/39/05/1101283905.db2.gz PQRVODUHGBAVSG-UHFFFAOYSA-N 0 0 333.428 2.966 10 10 EFCERN Cc1cc(C)c(CC(=O)NCc2ccc3cccnc3c2O)c(=O)[nH]1 ZINC001643284956 1101286989 /nfs/dbraw/zinc/28/69/89/1101286989.db2.gz NRMMBSDIQKBVFA-UHFFFAOYSA-N 0 0 337.379 2.517 10 10 EFCERN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](CO)c1ccccc1 ZINC001643500638 1101304146 /nfs/dbraw/zinc/30/41/46/1101304146.db2.gz SCCAEQNQXLRPDK-SOGBHIHOSA-N 0 0 327.380 2.693 10 10 EFCERN CC(C)NC(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001651316186 1101308798 /nfs/dbraw/zinc/30/87/98/1101308798.db2.gz OBXKYBWHSFRXQM-UHFFFAOYSA-N 0 0 341.367 2.762 10 10 EFCERN Cn1c(-c2ccccc2)cnc1SCc1coc(S(N)(=O)=O)c1 ZINC001651686424 1101369414 /nfs/dbraw/zinc/36/94/14/1101369414.db2.gz SLXRRIXPOKFXIL-UHFFFAOYSA-N 0 0 349.437 2.620 10 10 EFCERN NC(=O)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001652049441 1101426092 /nfs/dbraw/zinc/42/60/92/1101426092.db2.gz LDOFNGURYFTPAC-JOCQHMNTSA-N 0 0 339.351 2.502 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC001652295290 1101470686 /nfs/dbraw/zinc/47/06/86/1101470686.db2.gz GNMDGIZDJLBLAO-UHFFFAOYSA-N 0 0 328.343 2.810 10 10 EFCERN CCN(CC(=O)NCc1c(O)cccc1O)Cc1ccccc1Cl ZINC001652625885 1101521431 /nfs/dbraw/zinc/52/14/31/1101521431.db2.gz MXJFNFFIMCPVTM-UHFFFAOYSA-N 0 0 348.830 2.890 10 10 EFCERN Cc1cc(F)ccc1-n1ccc(C(=O)NCc2c(O)cccc2O)n1 ZINC001652625328 1101521694 /nfs/dbraw/zinc/52/16/94/1101521694.db2.gz BPBICCOQHIVQKC-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1c(O)cccc1O)C(C)(C)C ZINC001652626246 1101521992 /nfs/dbraw/zinc/52/19/92/1101521992.db2.gz UHINFWISGUUJRN-CQSZACIVSA-N 0 0 337.416 2.718 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC001652625361 1101522378 /nfs/dbraw/zinc/52/23/78/1101522378.db2.gz CPEZACCYMRIVBZ-UHFFFAOYSA-N 0 0 345.782 2.668 10 10 EFCERN CN(C)c1cc(C(=O)NCc2c(O)cccc2O)c2ccccc2n1 ZINC001652626508 1101523837 /nfs/dbraw/zinc/52/38/37/1101523837.db2.gz WZYIURLJMNOOGI-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN CCOc1ccc(N2CCN([C@H](C(=O)OC)[C@H](C)CC)CC2)cc1 ZINC001652964689 1101571544 /nfs/dbraw/zinc/57/15/44/1101571544.db2.gz PMFMXBPWHZOJAN-QAPCUYQASA-N 0 0 334.460 2.795 10 10 EFCERN CCOC(=O)c1cccc2[nH]c(NC(=O)C3=CC(=O)CS3)nc21 ZINC001653490254 1101627420 /nfs/dbraw/zinc/62/74/20/1101627420.db2.gz BTKXSQKMGCSFKZ-UHFFFAOYSA-N 0 0 331.353 2.759 10 10 EFCERN CNc1ncnc2cc(C(=O)NCc3cccc(Cl)c3O)ccc21 ZINC001653567188 1101632513 /nfs/dbraw/zinc/63/25/13/1101632513.db2.gz ORYFMSLCEMMLPQ-UHFFFAOYSA-N 0 0 342.786 2.961 10 10 EFCERN COC(=O)[C@@H]1c2ccccc2OCCN1Cc1ccc(N(C)C)cc1 ZINC001654993735 1101774738 /nfs/dbraw/zinc/77/47/38/1101774738.db2.gz SSJANETZXYRBBD-IBGZPJMESA-N 0 0 340.423 2.861 10 10 EFCERN COC(=O)[C@H]1c2ccccc2OCCN1Cc1ccc(N(C)C)cc1 ZINC001654993736 1101776063 /nfs/dbraw/zinc/77/60/63/1101776063.db2.gz SSJANETZXYRBBD-LJQANCHMSA-N 0 0 340.423 2.861 10 10 EFCERN CCc1ccc2c(c1)CCN2CC(=O)NCc1ccc(N(C)C)cc1 ZINC001655055769 1101782186 /nfs/dbraw/zinc/78/21/86/1101782186.db2.gz SUGCUNGWINAWJQ-UHFFFAOYSA-N 0 0 337.467 2.994 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)c1nc(Cl)nc2[nH]c(=O)[nH]c21 ZINC001655252930 1101799621 /nfs/dbraw/zinc/79/96/21/1101799621.db2.gz HQEIQQWTVBBOKG-UHFFFAOYSA-N 0 0 346.822 2.804 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnn(-c2ccccc2)c1 ZINC000588405364 1101916042 /nfs/dbraw/zinc/91/60/42/1101916042.db2.gz FGWYRMMPTXMRKO-CLFYSBASSA-N 0 0 335.363 2.613 10 10 EFCERN Cc1ccn(-c2ccccc2CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588408328 1101989098 /nfs/dbraw/zinc/98/90/98/1101989098.db2.gz KZJZYOQZAGDATN-CLFYSBASSA-N 0 0 349.390 2.922 10 10 EFCERN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NC ZINC000834914440 1102174820 /nfs/dbraw/zinc/17/48/20/1102174820.db2.gz UVNHVEULMAQIJR-HQJQHLMTSA-N 0 0 349.656 2.983 10 10 EFCERN COC(=O)c1cc(OC[C@H]2CCC[C@]3(CCOC3)O2)ccc1N(C)C ZINC001656826020 1102213890 /nfs/dbraw/zinc/21/38/90/1102213890.db2.gz LAQNUNCVESHCGQ-DNVCBOLYSA-N 0 0 349.427 2.646 10 10 EFCERN COC(=O)c1cc(OC[C@@H]2CCC[C@]3(CCOC3)O2)ccc1N(C)C ZINC001656826022 1102214253 /nfs/dbraw/zinc/21/42/53/1102214253.db2.gz LAQNUNCVESHCGQ-HNAYVOBHSA-N 0 0 349.427 2.646 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3cccnc32)C1 ZINC001266788570 1102238173 /nfs/dbraw/zinc/23/81/73/1102238173.db2.gz UVXQRBAPZYWLIM-AWEZNQCLSA-N 0 0 329.400 2.584 10 10 EFCERN CN(CC(=O)Nc1cnccn1)c1ccc(-c2nccs2)cc1 ZINC001658932277 1102499104 /nfs/dbraw/zinc/49/91/04/1102499104.db2.gz HFLASGZTAGXXMT-UHFFFAOYSA-N 0 0 325.397 2.675 10 10 EFCERN C[C@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1O ZINC001648894902 1102554051 /nfs/dbraw/zinc/55/40/51/1102554051.db2.gz VTTZMKXSKANSBF-VIFPVBQESA-N 0 0 346.770 2.868 10 10 EFCERN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1O ZINC001648892154 1102555694 /nfs/dbraw/zinc/55/56/94/1102555694.db2.gz ODUGWHALFHTMOX-JTQLQIEISA-N 0 0 344.323 2.563 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@](C)(CO)Oc3ccccc32)c1O ZINC001659680470 1102558378 /nfs/dbraw/zinc/55/83/78/1102558378.db2.gz NEICKRBVENXAII-LJQANCHMSA-N 0 0 345.370 2.884 10 10 EFCERN CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000693502661 1102672220 /nfs/dbraw/zinc/67/22/20/1102672220.db2.gz QIPGZLJKEVRWPP-UHFFFAOYSA-N 0 0 338.256 2.756 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000906260562 1104076562 /nfs/dbraw/zinc/07/65/62/1104076562.db2.gz JOMCRQCLYVIGFF-XOKHGSTOSA-N 0 0 334.485 2.527 10 10 EFCERN Cc1cc(C)c(CC(=O)NCCCSc2nccs2)c(=O)[nH]1 ZINC000906669925 1104420149 /nfs/dbraw/zinc/42/01/49/1104420149.db2.gz HJRBWPVYHWHBPZ-UHFFFAOYSA-N 0 0 337.470 2.702 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2cccnc2)nn1C ZINC000906714149 1104447707 /nfs/dbraw/zinc/44/77/07/1104447707.db2.gz PKUKTFNDMYBKAR-UHFFFAOYSA-N 0 0 349.438 2.787 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)[C@@H]3CCCO3)CC2)cc1C ZINC001670850493 1104741170 /nfs/dbraw/zinc/74/11/70/1104741170.db2.gz KVGLUAMMNOEUJY-QAPCUYQASA-N 0 0 346.471 2.557 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1N ZINC000322044104 1105432992 /nfs/dbraw/zinc/43/29/92/1105432992.db2.gz ZLSGGSJTZCIXAV-UHFFFAOYSA-N 0 0 333.457 2.546 10 10 EFCERN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C[N@@H+]1CCO ZINC000841890745 1105843100 /nfs/dbraw/zinc/84/31/00/1105843100.db2.gz FHJKAILVKYIYJR-MNOVXSKESA-N 0 0 333.259 2.586 10 10 EFCERN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897684077 1106048322 /nfs/dbraw/zinc/04/83/22/1106048322.db2.gz WYOAROBVMXUFMP-LLVKDONJSA-N 0 0 343.408 2.853 10 10 EFCERN C[C@H]1[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000925318336 1106048390 /nfs/dbraw/zinc/04/83/90/1106048390.db2.gz FKHOJGWTMNIARP-KSSFIOAISA-N 0 0 330.476 2.519 10 10 EFCERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897684078 1106048873 /nfs/dbraw/zinc/04/88/73/1106048873.db2.gz WYOAROBVMXUFMP-NSHDSACASA-N 0 0 343.408 2.853 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1CC(F)F ZINC000897748174 1106070693 /nfs/dbraw/zinc/07/06/93/1106070693.db2.gz QOXDTHKRIOXRKN-VIFPVBQESA-N 0 0 343.351 2.809 10 10 EFCERN CC1(C)CO[C@@H](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000897748679 1106070865 /nfs/dbraw/zinc/07/08/65/1106070865.db2.gz ZUTAYEWXTWSOAU-LBPRGKRZSA-N 0 0 342.233 2.976 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1CC(F)F ZINC000897748173 1106071001 /nfs/dbraw/zinc/07/10/01/1106071001.db2.gz QOXDTHKRIOXRKN-SECBINFHSA-N 0 0 343.351 2.809 10 10 EFCERN Cc1cnn([C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)c1 ZINC000897805606 1106102260 /nfs/dbraw/zinc/10/22/60/1106102260.db2.gz JMLQCRATLWVMAB-LBPRGKRZSA-N 0 0 343.408 2.905 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897918326 1106149004 /nfs/dbraw/zinc/14/90/04/1106149004.db2.gz TVMFTAUFUBPYJF-DZXRDFMUSA-N 0 0 330.428 2.880 10 10 EFCERN CO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897960854 1106168505 /nfs/dbraw/zinc/16/85/05/1106168505.db2.gz DKNAKQYEPNVMCJ-LSDHHAIUSA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@]1(C)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897984086 1106185557 /nfs/dbraw/zinc/18/55/57/1106185557.db2.gz QRXVQPXQFSMSNL-QGZVFWFLSA-N 0 0 349.408 2.728 10 10 EFCERN COC(=O)[C@@]1(C)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897984085 1106185837 /nfs/dbraw/zinc/18/58/37/1106185837.db2.gz QRXVQPXQFSMSNL-KRWDZBQOSA-N 0 0 349.408 2.728 10 10 EFCERN Cc1cc(CNC(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC001675116062 1106302719 /nfs/dbraw/zinc/30/27/19/1106302719.db2.gz YFSOJPMHCXJMAF-SFHVURJKSA-N 0 0 327.428 2.664 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1COC(C)(C)C1 ZINC001676594688 1106544315 /nfs/dbraw/zinc/54/43/15/1106544315.db2.gz LHHXOMKKVQNLKC-MRXNPFEDSA-N 0 0 331.460 2.996 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1F ZINC001676698279 1106560783 /nfs/dbraw/zinc/56/07/83/1106560783.db2.gz LBLRCWNCGJFBDF-JLJPHGGASA-N 0 0 347.434 2.855 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC001676697991 1106560893 /nfs/dbraw/zinc/56/08/93/1106560893.db2.gz HYEJWUYUOBEHQX-ZTFGCOKTSA-N 0 0 331.460 2.961 10 10 EFCERN C[C@H]1[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000925333197 1107680767 /nfs/dbraw/zinc/68/07/67/1107680767.db2.gz BCJOQBGFLWUSPY-QPUJVOFHSA-N 0 0 332.231 2.591 10 10 EFCERN CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001682726619 1108640733 /nfs/dbraw/zinc/64/07/33/1108640733.db2.gz GGQALLUFAGEMHR-GOSISDBHSA-N 0 0 331.460 2.853 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(C)(C)C(=O)OC(C)(C)C)cc1F ZINC000843539573 1108786689 /nfs/dbraw/zinc/78/66/89/1108786689.db2.gz XKCNUQHGKLBDFQ-UHFFFAOYSA-N 0 0 338.423 2.876 10 10 EFCERN CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)cc1[O-] ZINC000796857255 1108851747 /nfs/dbraw/zinc/85/17/47/1108851747.db2.gz RSIARMXZVRCNQY-HNNXBMFYSA-N 0 0 329.437 2.787 10 10 EFCERN CC(C)[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1C ZINC000899180036 1109237019 /nfs/dbraw/zinc/23/70/19/1109237019.db2.gz UGKZAHFGGRMRID-GFCCVEGCSA-N 0 0 334.441 2.725 10 10 EFCERN CCOC1CC2(C[C@H]2NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899201929 1109244795 /nfs/dbraw/zinc/24/47/95/1109244795.db2.gz STCIBIWOHXONPC-PZOJDFPFSA-N 0 0 333.409 3.000 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899429895 1109324263 /nfs/dbraw/zinc/32/42/63/1109324263.db2.gz HORRGWAQGOBNDM-NVXWUHKLSA-N 0 0 333.409 2.690 10 10 EFCERN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)C1=CC(=O)CS1 ZINC000899456676 1109338856 /nfs/dbraw/zinc/33/88/56/1109338856.db2.gz RBNWKCBNQNOYBS-CYBMUJFWSA-N 0 0 325.430 2.549 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899624928 1109416780 /nfs/dbraw/zinc/41/67/80/1109416780.db2.gz KWLCLFGSLRMSTJ-YGRLFVJLSA-N 0 0 333.409 2.954 10 10 EFCERN COC(=O)c1coc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000183978196 1118836478 /nfs/dbraw/zinc/83/64/78/1118836478.db2.gz UJMFRSKVSJJVNS-UHFFFAOYSA-N 0 0 329.352 2.581 10 10 EFCERN Cn1nccc1CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000184296530 1118988710 /nfs/dbraw/zinc/98/87/10/1118988710.db2.gz JNDWAHYLILWXHB-UHFFFAOYSA-N 0 0 339.395 2.880 10 10 EFCERN CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000185089801 1119719453 /nfs/dbraw/zinc/71/94/53/1119719453.db2.gz MSENBWHOFQIMGP-OAHLLOKOSA-N 0 0 332.473 2.566 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCCc2ccccc2O)cc1F ZINC000171669065 529781660 /nfs/dbraw/zinc/78/16/60/529781660.db2.gz NEMGUMMKRAAKJI-UHFFFAOYSA-N 0 0 331.391 2.639 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)cc1F ZINC000066841409 215084805 /nfs/dbraw/zinc/08/48/05/215084805.db2.gz GBHSIPUQHOHFFX-HOTGVXAUSA-N 0 0 344.434 2.825 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(C)n1-c1ccccc1C ZINC000112652071 238884018 /nfs/dbraw/zinc/88/40/18/238884018.db2.gz RMHHUSIHDASTJY-MRXNPFEDSA-N 0 0 349.438 2.739 10 10 EFCERN Nc1ccc(CC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000155124499 238953954 /nfs/dbraw/zinc/95/39/54/238953954.db2.gz PGPWNXBDHAPNMS-UHFFFAOYSA-N 0 0 339.370 2.964 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159086569 239019544 /nfs/dbraw/zinc/01/95/44/239019544.db2.gz GAXREDDTLPBCMW-XHDPSFHLSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc(F)cc1 ZINC000177428819 239373572 /nfs/dbraw/zinc/37/35/72/239373572.db2.gz ISHVZNJMEDGXAI-OAHLLOKOSA-N 0 0 337.416 2.502 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1ccc(N(C)C)cc1 ZINC000184129125 239569544 /nfs/dbraw/zinc/56/95/44/239569544.db2.gz ISCVMCIKRZHZSF-UHFFFAOYSA-N 0 0 339.439 2.900 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1C ZINC000190658613 239935273 /nfs/dbraw/zinc/93/52/73/239935273.db2.gz AIZUMJYUHMWKOQ-KDOFPFPSSA-N 0 0 331.460 2.635 10 10 EFCERN COc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000192603085 240053690 /nfs/dbraw/zinc/05/36/90/240053690.db2.gz GDQJRBFENSSBEP-SOFGYWHQSA-N 0 0 339.391 2.747 10 10 EFCERN CCO[C@@H]1C[C@](NCc2ccc(N(C)C)cc2)(C(=O)OC)C1(C)C ZINC000193571980 240113382 /nfs/dbraw/zinc/11/33/82/240113382.db2.gz FXHGMPOVNAQBFR-APWZRJJASA-N 0 0 334.460 2.589 10 10 EFCERN CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000194930358 240189733 /nfs/dbraw/zinc/18/97/33/240189733.db2.gz FLYUIVUPGJQAFN-HNNXBMFYSA-N 0 0 329.448 2.581 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245745471 240259242 /nfs/dbraw/zinc/25/92/42/240259242.db2.gz CQFSEPXUPAIINU-RCCFBDPRSA-N 0 0 343.471 2.852 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246490627 240268942 /nfs/dbraw/zinc/26/89/42/240268942.db2.gz PEEQKGBBFFHMMT-YPMHNXCESA-N 0 0 344.820 2.660 10 10 EFCERN CC1(C)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000264049128 240398076 /nfs/dbraw/zinc/39/80/76/240398076.db2.gz SEEKQJWTXMQREW-UHFFFAOYSA-N 0 0 349.450 2.871 10 10 EFCERN Cc1noc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000265410020 240460374 /nfs/dbraw/zinc/46/03/74/240460374.db2.gz DKZXBOXZTXHMAT-UHFFFAOYSA-N 0 0 345.447 2.607 10 10 EFCERN CCOc1nnc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000265975835 240468227 /nfs/dbraw/zinc/46/82/27/240468227.db2.gz BPSLJMLFCCNADC-UHFFFAOYSA-N 0 0 339.417 2.599 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000269296998 240568820 /nfs/dbraw/zinc/56/88/20/240568820.db2.gz AVWKAGGPDJNUON-CYBMUJFWSA-N 0 0 338.429 2.835 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000273485478 240702685 /nfs/dbraw/zinc/70/26/85/240702685.db2.gz RJKQGWCUTXQDGS-SJORKVTESA-N 0 0 333.476 2.691 10 10 EFCERN Cc1cc(Cl)cc(CN2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293998907 241032461 /nfs/dbraw/zinc/03/24/61/241032461.db2.gz SPRBNBQNDXSABX-LBPRGKRZSA-N 0 0 331.865 2.611 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2nccn2CC)cc1 ZINC000296274448 241080686 /nfs/dbraw/zinc/08/06/86/241080686.db2.gz IPRJJJGFZGODRS-UHFFFAOYSA-N 0 0 329.448 2.749 10 10 EFCERN Cc1cccnc1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000296682592 241095173 /nfs/dbraw/zinc/09/51/73/241095173.db2.gz ITCWDMCCTOWISU-UHFFFAOYSA-N 0 0 326.444 2.840 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCOC[C@H]2OC)cc1 ZINC000294297654 241041854 /nfs/dbraw/zinc/04/18/54/241041854.db2.gz CJPQCGROFSLCNY-SJLPKXTDSA-N 0 0 334.460 2.591 10 10 EFCERN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCOC2(C)C)C2CC2)cc1 ZINC000298050952 241140105 /nfs/dbraw/zinc/14/01/05/241140105.db2.gz ISMDRJJLVNKGAJ-QGZVFWFLSA-N 0 0 331.460 2.994 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccc(C)o1 ZINC000298562278 241154298 /nfs/dbraw/zinc/15/42/98/241154298.db2.gz DOGSKJRTBCPVJA-UHFFFAOYSA-N 0 0 344.411 2.691 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301293117 241185203 /nfs/dbraw/zinc/18/52/03/241185203.db2.gz OGIIIJHTWOFEHB-UHFFFAOYSA-N 0 0 328.372 2.680 10 10 EFCERN CNC(=O)c1ccc(N[C@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])c1 ZINC000301183522 241185389 /nfs/dbraw/zinc/18/53/89/241185389.db2.gz IPVXEHKGOKEACF-SNVBAGLBSA-N 0 0 345.355 2.842 10 10 EFCERN CNC(=O)c1cccnc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000301330226 241187450 /nfs/dbraw/zinc/18/74/50/241187450.db2.gz APKHKQSRWAYGFS-UHFFFAOYSA-N 0 0 340.427 2.531 10 10 EFCERN CCc1cnc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301708525 241188399 /nfs/dbraw/zinc/18/83/99/241188399.db2.gz WNOGRXYTYJUJSF-UHFFFAOYSA-N 0 0 348.384 2.581 10 10 EFCERN CN(C)c1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000301925658 241189736 /nfs/dbraw/zinc/18/97/36/241189736.db2.gz YTKXXMOHSKRQPE-UHFFFAOYSA-N 0 0 349.412 2.676 10 10 EFCERN C[C@@H](CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1nccs1 ZINC000302146594 241193297 /nfs/dbraw/zinc/19/32/97/241193297.db2.gz KTZROMUZMUWIIJ-VIFPVBQESA-N 0 0 348.384 2.622 10 10 EFCERN O=C(Nc1ccc(-c2nc(-c3ccon3)no2)cc1)C1=S=CC=C1 ZINC000357351056 242095263 /nfs/dbraw/zinc/09/52/63/242095263.db2.gz BPWWTDFLDPZVLK-UHFFFAOYSA-N 0 0 338.348 2.608 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000363539464 242277872 /nfs/dbraw/zinc/27/78/72/242277872.db2.gz KTFVBYTUBXQILH-MRXNPFEDSA-N 0 0 333.771 2.674 10 10 EFCERN COc1c(O)c(CNc2cccc(-c3nc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000365799885 242333905 /nfs/dbraw/zinc/33/39/05/242333905.db2.gz YBYSQFCHCRPWSA-UHFFFAOYSA-N 0 0 341.327 2.706 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366152826 242342623 /nfs/dbraw/zinc/34/26/23/242342623.db2.gz YZNQZRPFLTVEHA-HNNXBMFYSA-N 0 0 341.459 2.565 10 10 EFCERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc(O)c1O ZINC000366569754 242356360 /nfs/dbraw/zinc/35/63/60/242356360.db2.gz JAKRCKVBXIVCSM-JKSUJKDBSA-N 0 0 335.363 2.569 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000366543133 242357558 /nfs/dbraw/zinc/35/75/58/242357558.db2.gz FXHVTBQWNPXUJY-SOFGYWHQSA-N 0 0 339.347 2.511 10 10 EFCERN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470685 242298635 /nfs/dbraw/zinc/29/86/35/242298635.db2.gz DDENKKYMFLAKKZ-GWCFXTLKSA-N 0 0 326.799 2.675 10 10 EFCERN CCCOc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000021024183 212200639 /nfs/dbraw/zinc/20/06/39/212200639.db2.gz RFLILXCKKWPUKT-UHFFFAOYSA-N 0 0 337.379 2.956 10 10 EFCERN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(O)cc3)C(=N)N12 ZINC000020114689 212102833 /nfs/dbraw/zinc/10/28/33/212102833.db2.gz OFWMFCUELMYGHK-DDADGOEASA-N 0 0 332.410 2.722 10 10 EFCERN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CCO ZINC000016904895 211941053 /nfs/dbraw/zinc/94/10/53/211941053.db2.gz VVMGYUFUHMOTDX-YFHOEESVSA-N 0 0 344.255 2.643 10 10 EFCERN CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2C)cc1 ZINC000011730488 211241991 /nfs/dbraw/zinc/24/19/91/211241991.db2.gz OKIIRNQCIUJPJM-UHFFFAOYSA-N 0 0 342.424 2.553 10 10 EFCERN Cc1c(S(=O)(=O)c2cccc(Cl)c2)nnn1-c1ccc(N)cc1 ZINC000011730688 211241487 /nfs/dbraw/zinc/24/14/87/211241487.db2.gz MWUMQLVLYMQQST-UHFFFAOYSA-N 0 0 348.815 2.644 10 10 EFCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(F)C2)C1 ZINC000444365503 250294219 /nfs/dbraw/zinc/29/42/19/250294219.db2.gz UQSOLFJHPFINRW-UHFFFAOYSA-N 0 0 329.419 2.588 10 10 EFCERN CCS(=O)(=O)CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000095401441 218335398 /nfs/dbraw/zinc/33/53/98/218335398.db2.gz RERJAOFVVAVLIM-UHFFFAOYSA-N 0 0 333.400 2.865 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@H]2CCO)c(C)n1-c1cccc(C)c1 ZINC000095451149 218395605 /nfs/dbraw/zinc/39/56/05/218395605.db2.gz FQHDFNKIKRFAQH-GOSISDBHSA-N 0 0 342.439 2.626 10 10 EFCERN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)n1c2ccccc2oc1=O ZINC000012534873 258054572 /nfs/dbraw/zinc/05/45/72/258054572.db2.gz KDHWDKCEIXDERL-ZDUSSCGKSA-N 0 0 339.395 2.538 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2CCOc3ccccc32)c1O ZINC000173375138 533499505 /nfs/dbraw/zinc/49/95/05/533499505.db2.gz SOCUPEOLYZYXRF-CQSZACIVSA-N 0 0 328.368 2.724 10 10 EFCERN COC(=O)C1=CN(c2ccccc2C)c2ccccc2S1(=O)=O ZINC000064979126 277311307 /nfs/dbraw/zinc/31/13/07/277311307.db2.gz DNAKBWZDFXVKSF-UHFFFAOYSA-N 0 0 329.377 2.935 10 10 EFCERN Cc1ccc2c(c1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 ZINC000302702381 301879719 /nfs/dbraw/zinc/87/97/19/301879719.db2.gz ILOGJJRDTPYWCD-UHFFFAOYSA-N 0 0 339.351 2.797 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159086173 533707227 /nfs/dbraw/zinc/70/72/27/533707227.db2.gz GAXREDDTLPBCMW-ABAIWWIYSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)c1 ZINC000111426407 473212079 /nfs/dbraw/zinc/21/20/79/473212079.db2.gz NTQVVBFDEVIULW-SFHVURJKSA-N 0 0 341.459 2.804 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000137994917 473215026 /nfs/dbraw/zinc/21/50/26/473215026.db2.gz FNUDXNDWHCDTMI-KXBFYZLASA-N 0 0 349.450 2.728 10 10 EFCERN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@H]1C ZINC000112377949 473263079 /nfs/dbraw/zinc/26/30/79/473263079.db2.gz QDJYVNCVIPWIOM-WDEREUQCSA-N 0 0 333.259 2.898 10 10 EFCERN Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)c(O)c1O ZINC000190410408 473264640 /nfs/dbraw/zinc/26/46/40/473264640.db2.gz XXJNZJUDEDHPDC-UHFFFAOYSA-N 0 0 333.413 2.579 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c(C)n1-c1ccccc1C ZINC000112652074 473292141 /nfs/dbraw/zinc/29/21/41/473292141.db2.gz RMHHUSIHDASTJY-INIZCTEOSA-N 0 0 349.438 2.739 10 10 EFCERN CC1(C)CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000112744680 473307767 /nfs/dbraw/zinc/30/77/67/473307767.db2.gz QLANOXSYGOOOGS-UHFFFAOYSA-N 0 0 349.450 2.994 10 10 EFCERN CCn1cc([C@@H]2CN(Cc3cc(F)cc(C(C)=O)c3O)CCO2)cn1 ZINC000190750379 473382471 /nfs/dbraw/zinc/38/24/71/473382471.db2.gz KMFQLGSAOYWUAF-KRWDZBQOSA-N 0 0 347.390 2.524 10 10 EFCERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000185298035 473388953 /nfs/dbraw/zinc/38/89/53/473388953.db2.gz NNLIIRIFOCIHIH-KRWDZBQOSA-N 0 0 333.476 2.617 10 10 EFCERN CCN(CC)c1ccc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc1 ZINC000000201260 471333179 /nfs/dbraw/zinc/33/31/79/471333179.db2.gz YHPWNGYUOKNVGC-OAHLLOKOSA-N 0 0 334.445 2.534 10 10 EFCERN CCNc1cc(N(C)CCO)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737972 471563943 /nfs/dbraw/zinc/56/39/43/471563943.db2.gz NNPBYPBRIUPWQP-UHFFFAOYSA-N 0 0 337.379 2.900 10 10 EFCERN Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000007813601 471639747 /nfs/dbraw/zinc/63/97/47/471639747.db2.gz HEZFEHLOBLJIMW-AWEZNQCLSA-N 0 0 326.396 2.918 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2Cc3cc(F)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008698982 471698667 /nfs/dbraw/zinc/69/86/67/471698667.db2.gz AVDXGLUNHOSIPR-SFHVURJKSA-N 0 0 328.387 2.903 10 10 EFCERN Cc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000014197669 471859615 /nfs/dbraw/zinc/85/96/15/471859615.db2.gz GGSXXLGDMGMPJA-QINSGFPZSA-N 0 0 348.493 2.528 10 10 EFCERN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C ZINC000033348872 471984871 /nfs/dbraw/zinc/98/48/71/471984871.db2.gz IWAMMWLYHGEREJ-SXGWCWSVSA-N 0 0 327.359 2.874 10 10 EFCERN CC(=O)N1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000041844792 472090377 /nfs/dbraw/zinc/09/03/77/472090377.db2.gz MKCURNZTKAYGHL-UHFFFAOYSA-N 0 0 339.439 2.789 10 10 EFCERN Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000026858672 472151473 /nfs/dbraw/zinc/15/14/73/472151473.db2.gz JYTACYZLFOEXBK-UHFFFAOYSA-N 0 0 330.403 2.873 10 10 EFCERN COc1ccc(N2CCN(c3ccc(SC)nn3)CC2)cc1F ZINC000084929181 472227174 /nfs/dbraw/zinc/22/71/74/472227174.db2.gz DKTSMEAOJGEAPC-UHFFFAOYSA-N 0 0 334.420 2.673 10 10 EFCERN COc1ccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000044070112 472282804 /nfs/dbraw/zinc/28/28/04/472282804.db2.gz FUFKLBBYWUMGGP-UHFFFAOYSA-N 0 0 340.383 2.660 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CCCNC(=O)c1ccco1 ZINC000069485530 472352427 /nfs/dbraw/zinc/35/24/27/472352427.db2.gz DDVUAHOFVHEIGT-UHFFFAOYSA-N 0 0 344.411 2.934 10 10 EFCERN O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2[O-])CC1)N1CCCC1 ZINC000069615876 472381402 /nfs/dbraw/zinc/38/14/02/472381402.db2.gz BXZMVMDNFQIDCH-UHFFFAOYSA-N 0 0 347.415 2.525 10 10 EFCERN CC[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1O ZINC000069698211 472400421 /nfs/dbraw/zinc/40/04/21/472400421.db2.gz BZHKWOFFAMOMGK-CQSZACIVSA-N 0 0 340.379 2.958 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCOCC[C@H]2C)cc1F ZINC000089267721 472402876 /nfs/dbraw/zinc/40/28/76/472402876.db2.gz RDCTXIWTDYQGDK-CQSZACIVSA-N 0 0 337.439 2.992 10 10 EFCERN Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000057264268 472405933 /nfs/dbraw/zinc/40/59/33/472405933.db2.gz MVENLVZFMTVCLE-UHFFFAOYSA-N 0 0 330.453 2.752 10 10 EFCERN O=C1CN(c2ccc(CNc3nc4ccccc4s3)cc2)CCN1 ZINC000032923726 472481691 /nfs/dbraw/zinc/48/16/91/472481691.db2.gz XGXMOHXHRGVZIV-UHFFFAOYSA-N 0 0 338.436 2.845 10 10 EFCERN CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000154874039 472481899 /nfs/dbraw/zinc/48/18/99/472481899.db2.gz TUFNVSWWSZPGPH-MRXNPFEDSA-N 0 0 346.471 2.925 10 10 EFCERN O=C(Cc1cccc(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975505 472484240 /nfs/dbraw/zinc/48/42/40/472484240.db2.gz DNEFWRWAHYUASU-SFHVURJKSA-N 0 0 341.407 2.848 10 10 EFCERN CCc1cc(=O)n2nc(NCc3ccc(N(C)C)c(C)c3)sc2n1 ZINC000070021415 472487536 /nfs/dbraw/zinc/48/75/36/472487536.db2.gz UNGVRNRBIJHJOS-UHFFFAOYSA-N 0 0 343.456 2.700 10 10 EFCERN CCc1nc([C@H]2CN(Cc3ccc(N(CC)CC)cc3)CCO2)n[nH]1 ZINC000129120156 472524092 /nfs/dbraw/zinc/52/40/92/472524092.db2.gz NTVQSMNIKPACLI-QGZVFWFLSA-N 0 0 343.475 2.787 10 10 EFCERN CCCO[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000130636089 472619681 /nfs/dbraw/zinc/61/96/81/472619681.db2.gz XTWJOYNYLJATCD-GFCCVEGCSA-N 0 0 349.387 2.711 10 10 EFCERN C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000077824733 472624769 /nfs/dbraw/zinc/62/47/69/472624769.db2.gz BBBDDDSKHNIUIF-CVEARBPZSA-N 0 0 333.476 2.739 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2 ZINC000047155060 472662716 /nfs/dbraw/zinc/66/27/16/472662716.db2.gz MULGWMIDTWCTCR-LBPRGKRZSA-N 0 0 339.395 2.789 10 10 EFCERN CCc1ccc(C(=O)CCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000120429215 472686919 /nfs/dbraw/zinc/68/69/19/472686919.db2.gz VVUGHBPOUWWWFC-UHFFFAOYSA-N 0 0 341.407 2.982 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000120973689 472776715 /nfs/dbraw/zinc/77/67/15/472776715.db2.gz YRUWICLWILVSNS-UHFFFAOYSA-N 0 0 341.459 2.571 10 10 EFCERN Cc1occc1C(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000064537244 472861471 /nfs/dbraw/zinc/86/14/71/472861471.db2.gz GYWSRKMPUWGSFI-UHFFFAOYSA-N 0 0 340.423 2.740 10 10 EFCERN COc1cccc([C@H]2OC(c3ccccc3OC)=NN2C(C)=O)c1O ZINC000064567417 472863666 /nfs/dbraw/zinc/86/36/66/472863666.db2.gz JQKYAAPZQXKSGA-GOSISDBHSA-N 0 0 342.351 2.649 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(F)ccc3O)CC2)cc1 ZINC000080000430 472958531 /nfs/dbraw/zinc/95/85/31/472958531.db2.gz FGISNFBYHQSPAS-UHFFFAOYSA-N 0 0 330.359 2.502 10 10 EFCERN CC(C)Oc1cncc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000122154895 472981961 /nfs/dbraw/zinc/98/19/61/472981961.db2.gz NERPIFAVHAWHTH-UHFFFAOYSA-N 0 0 328.416 2.713 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1F ZINC000122213648 472989072 /nfs/dbraw/zinc/98/90/72/472989072.db2.gz YFDIWNMDIUIBKC-QGZVFWFLSA-N 0 0 346.450 2.769 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000050634233 473002095 /nfs/dbraw/zinc/00/20/95/473002095.db2.gz AZJKCPANKGTUMA-INIZCTEOSA-N 0 0 345.830 2.756 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(F)c(OC)c3)CC2)cc1 ZINC000122538150 473026989 /nfs/dbraw/zinc/02/69/89/473026989.db2.gz CPMRJIPPYDGXRY-UHFFFAOYSA-N 0 0 344.386 2.805 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CNC(=O)/C=C/c1ccco1 ZINC000066096421 473044836 /nfs/dbraw/zinc/04/48/36/473044836.db2.gz USMLKNAIYBABJT-MDZDMXLPSA-N 0 0 342.395 2.553 10 10 EFCERN Cc1ccc([C@@H]2COCCN2Cc2ccc(N3CCOCC3)cc2)o1 ZINC000093459813 473110113 /nfs/dbraw/zinc/11/01/13/473110113.db2.gz WIPMETWMERPJSL-IBGZPJMESA-N 0 0 342.439 2.998 10 10 EFCERN Cc1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)o1 ZINC000093864808 473154514 /nfs/dbraw/zinc/15/45/14/473154514.db2.gz MEXUEDOTHZQNIH-HXUWFJFHSA-N 0 0 342.439 2.998 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)/C=C/c2cnccn2)cc1F ZINC000066841429 473160705 /nfs/dbraw/zinc/16/07/05/473160705.db2.gz JTGHFZZTAWBLHV-SOFGYWHQSA-N 0 0 328.391 2.792 10 10 EFCERN Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(C)n1-c1ccccn1 ZINC000178328869 473491484 /nfs/dbraw/zinc/49/14/84/473491484.db2.gz WEEGEXLSJKPWSM-AZUAARDMSA-N 0 0 347.418 2.877 10 10 EFCERN CC(=O)N1CCN(c2ccc(OC[C@H](O)C3CCCCC3)cc2)CC1 ZINC000191362465 473531221 /nfs/dbraw/zinc/53/12/21/473531221.db2.gz RAUWCTGPARBZCB-FQEVSTJZSA-N 0 0 346.471 2.675 10 10 EFCERN O=C1N=C(NN2CCCCC2)S/C1=C/c1ccc2c(c1)CCO2 ZINC000168214146 473541856 /nfs/dbraw/zinc/54/18/56/473541856.db2.gz AQBZPOMLIXGKMH-RVDMUPIBSA-N 0 0 329.425 2.582 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)OC ZINC000178720603 473547365 /nfs/dbraw/zinc/54/73/65/473547365.db2.gz LVUNASKRERGCCI-UHFFFAOYSA-N 0 0 330.222 2.928 10 10 EFCERN COCC1=CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000185962184 473559132 /nfs/dbraw/zinc/55/91/32/473559132.db2.gz NVRYCSDCJZKEQG-GQCTYLIASA-N 0 0 332.356 2.564 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186057515 473581500 /nfs/dbraw/zinc/58/15/00/473581500.db2.gz UKHBUURIBMCSBO-GOSISDBHSA-N 0 0 346.452 2.787 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179173411 473646168 /nfs/dbraw/zinc/64/61/68/473646168.db2.gz HRSUPWISKRVVEM-HNNXBMFYSA-N 0 0 347.459 2.818 10 10 EFCERN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000186812577 473760741 /nfs/dbraw/zinc/76/07/41/473760741.db2.gz LQLWCCOMAVHYTF-ZDUSSCGKSA-N 0 0 340.379 2.589 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1COc2ccccc2C1 ZINC000173198434 473768501 /nfs/dbraw/zinc/76/85/01/473768501.db2.gz AHEALKKGEUYANQ-HNNXBMFYSA-N 0 0 338.407 2.729 10 10 EFCERN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180074817 473791553 /nfs/dbraw/zinc/79/15/53/473791553.db2.gz IWLCSGWJNGCIHR-MRXNPFEDSA-N 0 0 337.895 2.648 10 10 EFCERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000187043624 473807156 /nfs/dbraw/zinc/80/71/56/473807156.db2.gz BBWIQUSZWJYTKX-AWEZNQCLSA-N 0 0 327.380 2.954 10 10 EFCERN COc1cccc(N2CCC[C@@H](NC(=O)c3cccc(O)c3O)C2)c1 ZINC000187103756 473818375 /nfs/dbraw/zinc/81/83/75/473818375.db2.gz PPOPWHGTCTZVKW-CYBMUJFWSA-N 0 0 342.395 2.505 10 10 EFCERN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000274460820 473834440 /nfs/dbraw/zinc/83/44/40/473834440.db2.gz WRCJMOZHKUGZKR-KGXGESDWSA-N 0 0 347.411 2.691 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C ZINC000187564941 473886634 /nfs/dbraw/zinc/88/66/34/473886634.db2.gz WFLCUBIEKSBCND-MAUKXSAKSA-N 0 0 329.444 2.629 10 10 EFCERN COc1ccc(C[C@@H](C)NC(=O)NCc2ccccc2O)cc1OC ZINC000264349617 473961053 /nfs/dbraw/zinc/96/10/53/473961053.db2.gz BBTKDOSWWGDKDS-CYBMUJFWSA-N 0 0 344.411 2.840 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2nccs2)C1 ZINC000180783356 473963798 /nfs/dbraw/zinc/96/37/98/473963798.db2.gz RGFMGEMMZGYLTE-BPJJOFIESA-N 0 0 330.409 2.974 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000274911218 474011077 /nfs/dbraw/zinc/01/10/77/474011077.db2.gz IYXYWOZQJAHUIV-DYZYQPBXSA-N 0 0 347.798 2.802 10 10 EFCERN Cn1nccc1[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000282350248 474033195 /nfs/dbraw/zinc/03/31/95/474033195.db2.gz ZSSZZBQHUHUENM-VFADXPBXSA-N 0 0 327.384 2.598 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CNC(=O)C1 ZINC000181584114 474049811 /nfs/dbraw/zinc/04/98/11/474049811.db2.gz JZRMJBAJPGNQIO-YOEHRIQHSA-N 0 0 338.407 2.618 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CNC(=O)C1 ZINC000181584078 474051107 /nfs/dbraw/zinc/05/11/07/474051107.db2.gz JZRMJBAJPGNQIO-WMLDXEAASA-N 0 0 338.407 2.618 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000181644568 474055057 /nfs/dbraw/zinc/05/50/57/474055057.db2.gz JFSKGNIFRNMYIF-UHFFFAOYSA-N 0 0 340.349 2.832 10 10 EFCERN CC(C)C(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000264779393 474125439 /nfs/dbraw/zinc/12/54/39/474125439.db2.gz MPVATVZFAMPESN-UHFFFAOYSA-N 0 0 329.488 2.977 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3nn(C)cc32)cc1F ZINC000282666201 474148469 /nfs/dbraw/zinc/14/84/69/474148469.db2.gz GRMBRNDYIYENNL-HNNXBMFYSA-N 0 0 345.422 2.502 10 10 EFCERN Cn1nccc1C1=CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000289319113 474223842 /nfs/dbraw/zinc/22/38/42/474223842.db2.gz FNBYGINTGMFIGD-UHFFFAOYSA-N 0 0 348.790 2.977 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000270764547 474256202 /nfs/dbraw/zinc/25/62/02/474256202.db2.gz FDAXGMPCIHDVTJ-GQCTYLIASA-N 0 0 332.356 2.540 10 10 EFCERN COc1ccc(O)c(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)c1 ZINC000183215688 474352832 /nfs/dbraw/zinc/35/28/32/474352832.db2.gz TZOJHJZUFMDNHS-KRWDZBQOSA-N 0 0 346.814 2.727 10 10 EFCERN CC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)S1(=O)=O ZINC000289675879 474374168 /nfs/dbraw/zinc/37/41/68/474374168.db2.gz DQTARYAARGDFLI-RISCZKNCSA-N 0 0 331.865 2.752 10 10 EFCERN COc1cc(N(C)C[C@@H](O)COc2ccccc2)cc(OC)c1OC ZINC000265974184 474408789 /nfs/dbraw/zinc/40/87/89/474408789.db2.gz AXTGLEBVWDSMBY-OAHLLOKOSA-N 0 0 347.411 2.589 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334059 474496638 /nfs/dbraw/zinc/49/66/38/474496638.db2.gz NLYCLTUULVDOQB-CRAIPNDOSA-N 0 0 348.418 2.809 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000289998085 474519667 /nfs/dbraw/zinc/51/96/67/474519667.db2.gz CTNVDTYGZCRZBM-IAQYHMDHSA-N 0 0 332.356 2.521 10 10 EFCERN COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Cl)cc(C)c1O ZINC000276387835 474522298 /nfs/dbraw/zinc/52/22/98/474522298.db2.gz BORMWQAPZZJLIP-SNVBAGLBSA-N 0 0 325.714 2.938 10 10 EFCERN Cc1cc(C(=O)N(C)[C@H](CO)CC(C)C)c(C)n1-c1ccccn1 ZINC000184575534 474552340 /nfs/dbraw/zinc/55/23/40/474552340.db2.gz VMTOBAVDPDSWQY-INIZCTEOSA-N 0 0 329.444 2.968 10 10 EFCERN C[C@@H]1COCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000277624093 474590981 /nfs/dbraw/zinc/59/09/81/474590981.db2.gz IUBTWEGYSLLIGC-HYVNUMGLSA-N 0 0 348.443 2.508 10 10 EFCERN Cc1cc(Cl)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O ZINC000271896605 474598229 /nfs/dbraw/zinc/59/82/29/474598229.db2.gz YGILQEXKOZRSIK-UHFFFAOYSA-N 0 0 346.740 2.980 10 10 EFCERN COc1c(O)c(CN(C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000278173487 474601978 /nfs/dbraw/zinc/60/19/78/474601978.db2.gz FYYVQRUPNCFIBZ-UHFFFAOYSA-N 0 0 337.763 2.989 10 10 EFCERN CC[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272868362 474628972 /nfs/dbraw/zinc/62/89/72/474628972.db2.gz GDKBDBVUIHYZLG-FUHWJXTLSA-N 0 0 346.471 2.939 10 10 EFCERN C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2F)C[C@H](C)O1 ZINC000292835396 474666099 /nfs/dbraw/zinc/66/60/99/474666099.db2.gz PEQNMYXPGUXRMV-RYUDHWBXSA-N 0 0 349.381 2.837 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2F)C[C@H](C)O1 ZINC000292835402 474667195 /nfs/dbraw/zinc/66/71/95/474667195.db2.gz PEQNMYXPGUXRMV-TXEJJXNPSA-N 0 0 349.381 2.837 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)Cc3ccnn3C)cc2)CC1 ZINC000278560174 474702105 /nfs/dbraw/zinc/70/21/05/474702105.db2.gz JIJADAANSJURPE-UHFFFAOYSA-N 0 0 326.444 2.515 10 10 EFCERN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000284691269 474726167 /nfs/dbraw/zinc/72/61/67/474726167.db2.gz HXUSISWAAAGZAC-OAHLLOKOSA-N 0 0 336.407 2.615 10 10 EFCERN COC[C@H]1CCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000292950485 474732473 /nfs/dbraw/zinc/73/24/73/474732473.db2.gz FVSBHWRAWGJPCX-GOSISDBHSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n(C)n1 ZINC000278610247 474734601 /nfs/dbraw/zinc/73/46/01/474734601.db2.gz GJTAGTXNWTVLHB-AWEZNQCLSA-N 0 0 334.851 2.846 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268142503 474823084 /nfs/dbraw/zinc/82/30/84/474823084.db2.gz JANHIHYFDBRTRA-MRXNPFEDSA-N 0 0 326.444 2.944 10 10 EFCERN C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273534560 474950199 /nfs/dbraw/zinc/95/01/99/474950199.db2.gz XBMKKMDHVXFURA-NSHDSACASA-N 0 0 349.412 2.833 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1O ZINC000280553268 475033414 /nfs/dbraw/zinc/03/34/14/475033414.db2.gz JIXONMPVTJPIRT-UHFFFAOYSA-N 0 0 349.408 2.915 10 10 EFCERN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000294610910 475074617 /nfs/dbraw/zinc/07/46/17/475074617.db2.gz IOJZPSMZCFWNMV-MRXNPFEDSA-N 0 0 329.799 2.955 10 10 EFCERN CCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294836985 475085508 /nfs/dbraw/zinc/08/55/08/475085508.db2.gz HQCZYWGALGWKHD-UHFFFAOYSA-N 0 0 328.815 2.923 10 10 EFCERN O=C(NCCCCOCc1ccccc1)c1c(F)ccc(O)c1O ZINC000295362008 475121868 /nfs/dbraw/zinc/12/18/68/475121868.db2.gz WCZUADQJHSGVJB-UHFFFAOYSA-N 0 0 333.359 2.964 10 10 EFCERN O=C(NCCc1cccc(C(F)(F)F)n1)NCc1ccccc1O ZINC000292726555 475172466 /nfs/dbraw/zinc/17/24/66/475172466.db2.gz IFOAKNHHTMYXFV-UHFFFAOYSA-N 0 0 339.317 2.848 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@H](C)CO)c2C)cc1 ZINC000269116799 475178320 /nfs/dbraw/zinc/17/83/20/475178320.db2.gz KHIRCECZFGPINF-OCCSQVGLSA-N 0 0 330.428 2.849 10 10 EFCERN C[C@@H]1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000302061835 476186158 /nfs/dbraw/zinc/18/61/58/476186158.db2.gz UCJBOKUEEWQDMX-PIGZYNQJSA-N 0 0 331.372 2.942 10 10 EFCERN COCC[C@@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000368763754 476369221 /nfs/dbraw/zinc/36/92/21/476369221.db2.gz VIXQJKZFSALCDQ-LBPRGKRZSA-N 0 0 349.387 2.569 10 10 EFCERN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000373580229 476415630 /nfs/dbraw/zinc/41/56/30/476415630.db2.gz BVAVBGCADCMKDM-CHWSQXEVSA-N 0 0 327.808 2.588 10 10 EFCERN Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(O)c2O)cn1 ZINC000373623167 476418179 /nfs/dbraw/zinc/41/81/79/476418179.db2.gz LPEOHWPJDDGMNC-UHFFFAOYSA-N 0 0 327.315 2.890 10 10 EFCERN COc1ccc(CNC(=O)C[C@@H]2CCOc3ccccc32)c(O)c1 ZINC000373670305 476419519 /nfs/dbraw/zinc/41/95/19/476419519.db2.gz RMABLOWTPCLHMI-ZDUSSCGKSA-N 0 0 327.380 2.973 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000373907263 476439192 /nfs/dbraw/zinc/43/91/92/476439192.db2.gz FIMNSWHNUBMEEG-CQSZACIVSA-N 0 0 343.383 2.769 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000375262313 476745064 /nfs/dbraw/zinc/74/50/64/476745064.db2.gz SBQIDUZWQUCOSV-SFHVURJKSA-N 0 0 346.450 2.816 10 10 EFCERN CCOc1ccc(O)c(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375266539 476747004 /nfs/dbraw/zinc/74/70/04/476747004.db2.gz MAZJQNKCZZVRLB-QGZVFWFLSA-N 0 0 345.443 2.715 10 10 EFCERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000370360358 476774167 /nfs/dbraw/zinc/77/41/67/476774167.db2.gz SVWXVOYJFVFNGA-UHFFFAOYSA-N 0 0 339.391 2.850 10 10 EFCERN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@H]1C ZINC000408512923 476955315 /nfs/dbraw/zinc/95/53/15/476955315.db2.gz QDJYVNCVIPWIOM-GHMZBOCLSA-N 0 0 333.259 2.898 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367440005 477511125 /nfs/dbraw/zinc/51/11/25/477511125.db2.gz YXWKDIXNYTXYIG-HNNXBMFYSA-N 0 0 326.780 2.956 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3c[nH]cn3)CC2)cc1F ZINC000371902132 477548957 /nfs/dbraw/zinc/54/89/57/477548957.db2.gz LRWVCJWTABMHHY-UHFFFAOYSA-N 0 0 345.422 2.704 10 10 EFCERN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086307 477783931 /nfs/dbraw/zinc/78/39/31/477783931.db2.gz PCFUHTDWWWOJIL-JKSUJKDBSA-N 0 0 344.386 2.721 10 10 EFCERN CCCN(CCC)c1ccc(CNCc2nnc3n2CCOC3)cc1 ZINC000372774023 477813913 /nfs/dbraw/zinc/81/39/13/477813913.db2.gz YFYSPHKOIJXWCU-UHFFFAOYSA-N 0 0 343.475 2.725 10 10 EFCERN CC(C)n1ncc2c1C[C@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000372780244 477814251 /nfs/dbraw/zinc/81/42/51/477814251.db2.gz FHNIVFWPFXIIOC-MRXNPFEDSA-N 0 0 342.443 2.869 10 10 EFCERN Cc1[nH]nc(C(C)C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000572962696 478961375 /nfs/dbraw/zinc/96/13/75/478961375.db2.gz JFRPLBBKYDSLOK-UHFFFAOYSA-N 0 0 328.416 2.947 10 10 EFCERN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000529350672 479133690 /nfs/dbraw/zinc/13/36/90/479133690.db2.gz LDDFUTDYOPCKTD-GFCCVEGCSA-N 0 0 344.242 2.783 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccncc1Cl ZINC000611651872 479437634 /nfs/dbraw/zinc/43/76/34/479437634.db2.gz VVRBPJFTIPAWNQ-UHFFFAOYSA-N 0 0 331.803 2.769 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cc(C2CC2)no1 ZINC000611658767 479438783 /nfs/dbraw/zinc/43/87/83/479438783.db2.gz YUJKVMAVCRPGRU-UHFFFAOYSA-N 0 0 327.384 2.586 10 10 EFCERN CC(C)Oc1ccc(N(C)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000614004953 480163689 /nfs/dbraw/zinc/16/36/89/480163689.db2.gz JYCVDWMOUQVHLX-UHFFFAOYSA-N 0 0 325.368 2.640 10 10 EFCERN COCc1ccnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000650515421 481150556 /nfs/dbraw/zinc/15/05/56/481150556.db2.gz UOGJSWLLJISMMT-UHFFFAOYSA-N 0 0 342.399 2.725 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)[C@@H](C)O)CCCC1 ZINC000651625650 481878315 /nfs/dbraw/zinc/87/83/15/481878315.db2.gz MFGJXPCFMREDNX-CYBMUJFWSA-N 0 0 344.455 2.804 10 10 EFCERN COc1ccc(N2CCN(C(=O)CC[C@@H]3CCCCO3)CC2)cc1 ZINC000110165334 534007020 /nfs/dbraw/zinc/00/70/20/534007020.db2.gz GJLYRDCMHGGNTE-SFHVURJKSA-N 0 0 332.444 2.693 10 10 EFCERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000366172073 534881523 /nfs/dbraw/zinc/88/15/23/534881523.db2.gz PBODAYQJCUOUEH-UHFFFAOYSA-N 0 0 325.364 2.541 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2c3ccccc3C[C@H]2C(N)=O)c1O ZINC000177270359 527208848 /nfs/dbraw/zinc/20/88/48/527208848.db2.gz GBGYHRHHTVROES-INIZCTEOSA-N 0 0 344.798 2.665 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000175625357 527211146 /nfs/dbraw/zinc/21/11/46/527211146.db2.gz QIRMPRPHPCCOMQ-AWEZNQCLSA-N 0 0 336.388 2.764 10 10 EFCERN CCC1(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000175974371 527785069 /nfs/dbraw/zinc/78/50/69/527785069.db2.gz PGVXXZWPXVHKTN-UHFFFAOYSA-N 0 0 335.423 2.794 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)CC2(CO)CC2)cc1F ZINC000187162406 528301196 /nfs/dbraw/zinc/30/11/96/528301196.db2.gz KDLBTNHZOAHQQX-UHFFFAOYSA-N 0 0 337.439 2.586 10 10 EFCERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186688558 528789408 /nfs/dbraw/zinc/78/94/08/528789408.db2.gz SYLMYOGWRMCHOL-RBUKOAKNSA-N 0 0 330.472 2.804 10 10 EFCERN CC1(C)OCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298212987 534997972 /nfs/dbraw/zinc/99/79/72/534997972.db2.gz UWEJNCPKOAYUPK-NVXWUHKLSA-N 0 0 348.443 2.650 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)cc1 ZINC000296771353 535686786 /nfs/dbraw/zinc/68/67/86/535686786.db2.gz RJLTZXZQBJLXCM-PBHICJAKSA-N 0 0 340.489 2.520 10 10 EFCERN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1[O-] ZINC000367616380 535933337 /nfs/dbraw/zinc/93/33/37/535933337.db2.gz OBJCRSOPAXURDW-PBHICJAKSA-N 0 0 332.423 2.975 10 10 EFCERN CCc1cc(=O)n2nc(N[C@H](C)c3cc(OC)ccc3O)sc2n1 ZINC000301175720 536094265 /nfs/dbraw/zinc/09/42/65/536094265.db2.gz GCWGCYIXXAOCAV-SECBINFHSA-N 0 0 346.412 2.601 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)ccc21 ZINC000247663586 536395817 /nfs/dbraw/zinc/39/58/17/536395817.db2.gz XTSKEZJPEUXDCQ-YQVWRLOYSA-N 0 0 343.471 2.826 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCCCc3nccs3)ccc21 ZINC000290858561 536395826 /nfs/dbraw/zinc/39/58/26/536395826.db2.gz BHDIGRFLTFKOBF-UHFFFAOYSA-N 0 0 344.484 2.958 10 10 EFCERN CN(Cc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301675254 536482966 /nfs/dbraw/zinc/48/29/66/536482966.db2.gz HICRSFBKLCPNNY-UHFFFAOYSA-N 0 0 331.303 2.701 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccnc(SC)c3)CC2)cc1 ZINC000299014797 536689781 /nfs/dbraw/zinc/68/97/81/536689781.db2.gz CXVIMMBBMLMUQL-UHFFFAOYSA-N 0 0 343.452 2.775 10 10 EFCERN COc1ccc(N2CCN(c3nccnc3OC(C)C)CC2)cc1F ZINC000302174749 536703729 /nfs/dbraw/zinc/70/37/29/536703729.db2.gz VVDAGUOYQRSZPT-UHFFFAOYSA-N 0 0 346.406 2.738 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000273363783 536793464 /nfs/dbraw/zinc/79/34/64/536793464.db2.gz DPNSMXJYCCJKDA-SJCJKPOMSA-N 0 0 345.395 2.572 10 10 EFCERN COC(=O)[C@@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 ZINC000753896107 575356178 /nfs/dbraw/zinc/35/61/78/575356178.db2.gz FYFIBZSLJHREPC-LBPRGKRZSA-N 0 0 334.397 2.604 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2nccnc21 ZINC000754225078 575407488 /nfs/dbraw/zinc/40/74/88/575407488.db2.gz GIDVADKRASUNEU-UHFFFAOYSA-N 0 0 334.379 2.719 10 10 EFCERN O=C(NCCCSc1nccs1)c1cccc2nccnc21 ZINC000755321526 575574121 /nfs/dbraw/zinc/57/41/21/575574121.db2.gz WPRKBZMWZLDEHN-UHFFFAOYSA-N 0 0 330.438 2.999 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2scnc2C)c2ccccc21 ZINC000755607274 575607389 /nfs/dbraw/zinc/60/73/89/575607389.db2.gz WCIBOTHUJRZGPG-JYRVWZFOSA-N 0 0 328.393 2.902 10 10 EFCERN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756351643 575721563 /nfs/dbraw/zinc/72/15/63/575721563.db2.gz MMRFWQUCCJCHNG-YPMHNXCESA-N 0 0 330.340 2.791 10 10 EFCERN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756395213 575730333 /nfs/dbraw/zinc/73/03/33/575730333.db2.gz HZEXHPRUWWNSHB-NSHDSACASA-N 0 0 326.387 2.968 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1[O-] ZINC000756431717 575738207 /nfs/dbraw/zinc/73/82/07/575738207.db2.gz PATAVVNGVGRJCE-WCQYABFASA-N 0 0 334.370 2.780 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000756616008 575768023 /nfs/dbraw/zinc/76/80/23/575768023.db2.gz YLDFZVBDITZQLO-AAEUAGOBSA-N 0 0 336.386 2.724 10 10 EFCERN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768627 575785536 /nfs/dbraw/zinc/78/55/36/575785536.db2.gz FSWLLDKKARREMY-NSHDSACASA-N 0 0 328.372 2.861 10 10 EFCERN C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc(F)ccc1O ZINC000756866674 575794618 /nfs/dbraw/zinc/79/46/18/575794618.db2.gz AJAYQDOIPHFWSW-GFCCVEGCSA-N 0 0 346.406 2.960 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cn[nH]c1 ZINC000757012186 575810751 /nfs/dbraw/zinc/81/07/51/575810751.db2.gz VYLONZRRWWHOES-ZDUSSCGKSA-N 0 0 345.472 2.523 10 10 EFCERN Cc1cccc2c1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2 ZINC000758173001 575861763 /nfs/dbraw/zinc/86/17/63/575861763.db2.gz LCAVKHRBMITCNC-UHFFFAOYSA-N 0 0 339.351 2.797 10 10 EFCERN CCC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000758287243 575865622 /nfs/dbraw/zinc/86/56/22/575865622.db2.gz ZVTJMJKQMJIEFD-IZPAUZPXSA-N 0 0 334.372 2.786 10 10 EFCERN COC(=O)C[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000758388160 575868328 /nfs/dbraw/zinc/86/83/28/575868328.db2.gz WVJQWCHKPXJVQP-CQSZACIVSA-N 0 0 342.439 2.952 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC12CCCC2 ZINC000758399980 575868805 /nfs/dbraw/zinc/86/88/05/575868805.db2.gz QESUGXQTNJGIPQ-QGZVFWFLSA-N 0 0 347.434 2.794 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC12CCCC2 ZINC000758456701 575870161 /nfs/dbraw/zinc/87/01/61/575870161.db2.gz DTNFKBPUOYGGOO-QGZVFWFLSA-N 0 0 329.444 2.655 10 10 EFCERN CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(O)c2O)CC1 ZINC000758571487 575873110 /nfs/dbraw/zinc/87/31/10/575873110.db2.gz DUBZEMBXEFJQFJ-UHFFFAOYSA-N 0 0 337.372 2.654 10 10 EFCERN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc2c(cc1O)CCC2 ZINC000758990642 575882114 /nfs/dbraw/zinc/88/21/14/575882114.db2.gz JOFUFVCYLOGBEL-FQEVSTJZSA-N 0 0 336.435 2.862 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC12CCCC2 ZINC000759324813 575889324 /nfs/dbraw/zinc/88/93/24/575889324.db2.gz ZACODUCQNRWLQP-SFHVURJKSA-N 0 0 343.471 2.997 10 10 EFCERN COC(=O)c1coc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000759370185 575890392 /nfs/dbraw/zinc/89/03/92/575890392.db2.gz PLURNYNIMQSZSM-UHFFFAOYSA-N 0 0 342.395 2.987 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCSC[C@H]2CCO)c1O ZINC000759726066 575926943 /nfs/dbraw/zinc/92/69/43/575926943.db2.gz CIAQUZIEMDKPRY-CYBMUJFWSA-N 0 0 329.849 2.548 10 10 EFCERN Cc1cc(CCN2C(=O)[C@@H](C)N(C)C2=O)c(C)n1-c1ccccc1 ZINC000760969927 576095900 /nfs/dbraw/zinc/09/59/00/576095900.db2.gz MTPXUAFSCLYHCS-OAHLLOKOSA-N 0 0 325.412 2.919 10 10 EFCERN CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)cc(OC)c1O ZINC000761215833 576130709 /nfs/dbraw/zinc/13/07/09/576130709.db2.gz MOZMZVKLIMHLIL-CYBMUJFWSA-N 0 0 327.808 2.876 10 10 EFCERN CC(C)C[C@@H]1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)N1C ZINC000761362402 576151407 /nfs/dbraw/zinc/15/14/07/576151407.db2.gz PHMOSRGCYXAHRV-QGZVFWFLSA-N 0 0 327.428 2.872 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762102893 576257316 /nfs/dbraw/zinc/25/73/16/576257316.db2.gz OJUOAUDMGLQSEF-UHFFFAOYSA-N 0 0 328.372 2.718 10 10 EFCERN Cc1cc(C(=O)Cn2cnc(C)cc2=O)c(C)n1-c1ccc(F)cc1 ZINC000762197663 576273550 /nfs/dbraw/zinc/27/35/50/576273550.db2.gz ZSDOJWBERXPYJV-UHFFFAOYSA-N 0 0 339.370 2.981 10 10 EFCERN CC(=O)N(C)CCc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762256120 576281391 /nfs/dbraw/zinc/28/13/91/576281391.db2.gz VCQSSKCRFYYWLC-UHFFFAOYSA-N 0 0 328.347 2.687 10 10 EFCERN COc1cc(CN2CCN3C(=O)OCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000763324754 576372744 /nfs/dbraw/zinc/37/27/44/576372744.db2.gz YCWMWVVPFKVCIG-CQSZACIVSA-N 0 0 348.443 2.725 10 10 EFCERN C/C=C/C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365304 576374302 /nfs/dbraw/zinc/37/43/02/576374302.db2.gz LAUALUPUEFGJOE-YWPBOTNQSA-N 0 0 332.444 2.511 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000764823338 576508222 /nfs/dbraw/zinc/50/82/22/576508222.db2.gz MSALFRWORXCNFQ-VIHMKRCTSA-N 0 0 334.372 2.521 10 10 EFCERN COCc1cncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000765367130 577035755 /nfs/dbraw/zinc/03/57/55/577035755.db2.gz QQQOHJKRVPONRZ-UHFFFAOYSA-N 0 0 325.412 2.758 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(COC)c1 ZINC000765416674 577039896 /nfs/dbraw/zinc/03/98/96/577039896.db2.gz KQMMFZUDVHGOJT-UHFFFAOYSA-N 0 0 327.428 2.956 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NCc3ccn(C)n3)cc2)CC1 ZINC000765690289 577067050 /nfs/dbraw/zinc/06/70/50/577067050.db2.gz FDZYYAGYZFYSQW-UHFFFAOYSA-N 0 0 341.459 2.656 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(c3ccccc3)C(=O)C2)c1 ZINC000765706386 577069172 /nfs/dbraw/zinc/06/91/72/577069172.db2.gz HAWPLILEHZQAJC-UHFFFAOYSA-N 0 0 326.396 2.640 10 10 EFCERN Cc1cc(Br)c(O)c(CNc2nccc(N(C)C)n2)c1 ZINC000766109195 577109248 /nfs/dbraw/zinc/10/92/48/577109248.db2.gz UDESLLRLNVCJHN-UHFFFAOYSA-N 0 0 337.221 2.931 10 10 EFCERN Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2O)o1 ZINC000766199746 577120486 /nfs/dbraw/zinc/12/04/86/577120486.db2.gz GZRGBAATQGRCPH-UHFFFAOYSA-N 0 0 346.202 2.535 10 10 EFCERN Nc1c(C(=O)OCCCF)ccc2c1C(=O)c1ccccc1C2=O ZINC000767245998 577201542 /nfs/dbraw/zinc/20/15/42/577201542.db2.gz GKZRLKYMNNYJDM-UHFFFAOYSA-N 0 0 327.311 2.561 10 10 EFCERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439116 577273532 /nfs/dbraw/zinc/27/35/32/577273532.db2.gz HSJJEEFBRHYUKZ-DYZYQPBXSA-N 0 0 342.351 2.677 10 10 EFCERN COc1cccc([C@@H]2CN(Cc3c(O)cccc3OC)CCO2)c1 ZINC000769332347 577352835 /nfs/dbraw/zinc/35/28/35/577352835.db2.gz MNBSSEYTDBPKSU-IBGZPJMESA-N 0 0 329.396 2.983 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCO[C@H](C(=O)OC)C2)cc1 ZINC000769334250 577353165 /nfs/dbraw/zinc/35/31/65/577353165.db2.gz ZNSJKMVRJSRKHY-SFHVURJKSA-N 0 0 334.460 2.687 10 10 EFCERN CCOc1ccc(O)c(CN(C)Cc2nc([C@@H](C)OCC)no2)c1 ZINC000769501717 577367903 /nfs/dbraw/zinc/36/79/03/577367903.db2.gz ACCFQISBNLLNTI-GFCCVEGCSA-N 0 0 335.404 2.903 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000769756479 577383020 /nfs/dbraw/zinc/38/30/20/577383020.db2.gz WVEAZSLFPODVIX-NSHDSACASA-N 0 0 325.792 2.935 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1O ZINC000769756478 577383049 /nfs/dbraw/zinc/38/30/49/577383049.db2.gz WVEAZSLFPODVIX-LLVKDONJSA-N 0 0 325.792 2.935 10 10 EFCERN COc1cccc(O)c1CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000770386935 577414552 /nfs/dbraw/zinc/41/45/52/577414552.db2.gz NGSNCMXRKWVXJB-UHFFFAOYSA-N 0 0 329.322 2.785 10 10 EFCERN COc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000770542971 581108121 /nfs/dbraw/zinc/10/81/21/581108121.db2.gz JUATVPVQXMAGCG-UHFFFAOYSA-N 0 0 325.372 2.782 10 10 EFCERN CCCNC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000771166195 581182337 /nfs/dbraw/zinc/18/23/37/581182337.db2.gz RAJRJFOUQMWAOR-UHFFFAOYSA-N 0 0 328.347 2.735 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@H](CO)c3ccsc3)ccc21 ZINC000771312543 581198161 /nfs/dbraw/zinc/19/81/61/581198161.db2.gz JSKFPAMDNMVSIO-MRXNPFEDSA-N 0 0 345.468 2.663 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)c1ccsc1 ZINC000771324784 581198915 /nfs/dbraw/zinc/19/89/15/581198915.db2.gz SSOXFSMRNAGCNB-INIZCTEOSA-N 0 0 333.457 2.655 10 10 EFCERN Cc1cc(CCNC(=O)NCC(C)(C)CO)c(C)n1-c1ccccc1 ZINC000771536808 581221170 /nfs/dbraw/zinc/22/11/70/581221170.db2.gz DCTFBAUHKIJUQI-UHFFFAOYSA-N 0 0 343.471 2.954 10 10 EFCERN COc1cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)cc1C ZINC000771637185 581229121 /nfs/dbraw/zinc/22/91/21/581229121.db2.gz QWBYOMLEMQMGFL-INIZCTEOSA-N 0 0 345.443 2.633 10 10 EFCERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000772149535 581288933 /nfs/dbraw/zinc/28/89/33/581288933.db2.gz PMZQGGONVIEYRB-UHFFFAOYSA-N 0 0 341.367 2.992 10 10 EFCERN COc1c(O)c([C@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1[N+](=O)[O-] ZINC000772179534 581293071 /nfs/dbraw/zinc/29/30/71/581293071.db2.gz UPOUMZOOZLOMOC-CQSZACIVSA-N 0 0 349.730 2.817 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)CN(C)c2ccc(Cl)cn2)c1 ZINC000772452417 581324558 /nfs/dbraw/zinc/32/45/58/581324558.db2.gz ILONAKVVKCKWSF-LLVKDONJSA-N 0 0 349.818 2.763 10 10 EFCERN COc1cc2c(cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000773014944 581388018 /nfs/dbraw/zinc/38/80/18/581388018.db2.gz NVYSURJWPHQUFE-LBPRGKRZSA-N 0 0 342.395 2.981 10 10 EFCERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020665 581388643 /nfs/dbraw/zinc/38/86/43/581388643.db2.gz QBCAUUFJHPXMIH-YOEHRIQHSA-N 0 0 331.460 2.577 10 10 EFCERN C[C@@H](NC(=O)NCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773613316 581450540 /nfs/dbraw/zinc/45/05/40/581450540.db2.gz PUZFROWSARUADO-CQSZACIVSA-N 0 0 346.475 2.562 10 10 EFCERN Cc1cc(CC(=O)N2CC(CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000773934889 581474410 /nfs/dbraw/zinc/47/44/10/581474410.db2.gz CZZFWJYPWSERAV-UHFFFAOYSA-N 0 0 332.831 2.741 10 10 EFCERN COc1cccc(CNc2cnn(Cc3ccccc3)c(=O)c2)c1O ZINC000774523424 581493281 /nfs/dbraw/zinc/49/32/81/581493281.db2.gz FHHQKPWMBHFMRG-UHFFFAOYSA-N 0 0 337.379 2.618 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000774904330 581503688 /nfs/dbraw/zinc/50/36/88/581503688.db2.gz QLBDHEJNUHYFGF-QGZVFWFLSA-N 0 0 336.388 2.702 10 10 EFCERN CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000850518421 1250521183 /nfs/dbraw/zinc/52/11/83/1250521183.db2.gz RPGRLQFUEGQZMB-NSHDSACASA-N 0 0 343.342 2.549 10 10 EFCERN COc1ccc(N2CC[C@@H](NCc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000850345493 1250442821 /nfs/dbraw/zinc/44/28/21/1250442821.db2.gz BZCQMLYHRYZIJD-MRXNPFEDSA-N 0 0 349.438 2.644 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000850365096 1250449500 /nfs/dbraw/zinc/44/95/00/1250449500.db2.gz BIIZBCCEHBATBY-NSHDSACASA-N 0 0 336.176 2.977 10 10 EFCERN c1cn(C2CCOCC2)nc1NCc1ccc(N2CCOCC2)cc1 ZINC000850382994 1250456486 /nfs/dbraw/zinc/45/64/86/1250456486.db2.gz FMNSVHOPLDEONK-UHFFFAOYSA-N 0 0 342.443 2.683 10 10 EFCERN COc1ccc(N2CC[C@@H](N[C@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000850488641 1250501210 /nfs/dbraw/zinc/50/12/10/1250501210.db2.gz OICHYTQEAPDKMT-APWZRJJASA-N 0 0 349.438 2.771 10 10 EFCERN CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(F)cc1[O-] ZINC000850563414 1250534125 /nfs/dbraw/zinc/53/41/25/1250534125.db2.gz XSAKHWXNVDFCSK-GOEBONIOSA-N 0 0 335.423 2.862 10 10 EFCERN CC[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1[O-] ZINC000850563413 1250534789 /nfs/dbraw/zinc/53/47/89/1250534789.db2.gz XSAKHWXNVDFCSK-GDBMZVCRSA-N 0 0 335.423 2.862 10 10 EFCERN CC[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1[O-] ZINC000850563416 1250535949 /nfs/dbraw/zinc/53/59/49/1250535949.db2.gz XSAKHWXNVDFCSK-ZBFHGGJFSA-N 0 0 335.423 2.862 10 10 EFCERN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850566564 1250538683 /nfs/dbraw/zinc/53/86/83/1250538683.db2.gz NKVIIPASJCKJDR-SNVBAGLBSA-N 0 0 330.331 2.891 10 10 EFCERN CC(=O)NCCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000922322776 1265534756 /nfs/dbraw/zinc/53/47/56/1265534756.db2.gz NEZQVTFEMXQPRU-UHFFFAOYSA-N 0 0 343.427 2.952 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(N)ccc3C)C2)cc1 ZINC000851640341 1251160394 /nfs/dbraw/zinc/16/03/94/1251160394.db2.gz UMJGFEUVSVNHBX-HNNXBMFYSA-N 0 0 325.412 2.595 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1F ZINC000851657358 1251184699 /nfs/dbraw/zinc/18/46/99/1251184699.db2.gz YFEAHZTVNGCQHK-KRWDZBQOSA-N 0 0 342.418 2.961 10 10 EFCERN Nc1ccc(CCNC(=O)NCc2cccc(OC3CC3)c2F)cc1 ZINC000851662900 1251190942 /nfs/dbraw/zinc/19/09/42/1251190942.db2.gz NJTDZLDSCXOCOX-UHFFFAOYSA-N 0 0 343.402 2.991 10 10 EFCERN COc1ccc(N2CCN(CC(F)(F)Br)CC2)cc1 ZINC000851713579 1251217977 /nfs/dbraw/zinc/21/79/77/1251217977.db2.gz GDBGPWJFIVZQCF-UHFFFAOYSA-N 0 0 335.192 2.805 10 10 EFCERN C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(F)c1[O-] ZINC000715788455 1265649662 /nfs/dbraw/zinc/64/96/62/1265649662.db2.gz YZOMJBPFNQHLEY-TXEJJXNPSA-N 0 0 329.213 2.572 10 10 EFCERN COC(OC)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001626029929 1256966535 /nfs/dbraw/zinc/96/65/35/1256966535.db2.gz QHRBYLBXSSFFHI-LECLMCCNSA-N 0 0 343.379 2.587 10 10 EFCERN COc1c(Cl)cccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001649087958 1258287416 /nfs/dbraw/zinc/28/74/16/1258287416.db2.gz WIJYSSHKHZQDIG-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NC[C@]1(OC)CCSC1 ZINC000925360245 1266260501 /nfs/dbraw/zinc/26/05/01/1266260501.db2.gz HDVUPBCPSVPLNP-QGZVFWFLSA-N 0 0 338.473 2.836 10 10 EFCERN CN1Cc2ccccc2[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663940 1259567413 /nfs/dbraw/zinc/56/74/13/1259567413.db2.gz YWNWZKCAQVTBLC-MRXNPFEDSA-N 0 0 329.375 2.517 10 10 EFCERN O=C(COC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccc(O)c(O)c1 ZINC000923426105 1261634536 /nfs/dbraw/zinc/63/45/36/1261634536.db2.gz NAHLZYKLDGCFBP-ZDUSSCGKSA-N 0 0 334.368 2.563 10 10 EFCERN COc1ccc([C@H](NC(=O)NCc2c(O)cccc2F)C2CC2)cn1 ZINC000923500732 1261797386 /nfs/dbraw/zinc/79/73/86/1261797386.db2.gz OMMOYQGLPHJQRW-QGZVFWFLSA-N 0 0 345.374 2.885 10 10 EFCERN Cn1cnc(/C=C\C(=O)N2CCOc3ccc(Br)cc32)c1 ZINC001128164569 1262907574 /nfs/dbraw/zinc/90/75/74/1262907574.db2.gz JJSMORIVVUXVBN-HYXAFXHYSA-N 0 0 348.200 2.621 10 10 EFCERN COCC[C@H](Cc1ccco1)NC(=O)NCc1c(O)cccc1F ZINC000921910143 1263332666 /nfs/dbraw/zinc/33/26/66/1263332666.db2.gz GIINDUQMQZYBPJ-GFCCVEGCSA-N 0 0 336.363 2.571 10 10 EFCERN COc1ccc2c(c1)CC[C@@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000921913599 1263375531 /nfs/dbraw/zinc/37/55/31/1263375531.db2.gz OPCOAMBVZZHREE-CQSZACIVSA-N 0 0 344.386 2.897 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922718449 1266649605 /nfs/dbraw/zinc/64/96/05/1266649605.db2.gz WJRNQUXVVMMBER-NDMJEZRESA-N 0 0 342.208 2.975 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655797 1278220723 /nfs/dbraw/zinc/22/07/23/1278220723.db2.gz ZXUMBDPXHMSMDL-HCKVZZMMSA-N 0 0 329.799 2.547 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655803 1278222548 /nfs/dbraw/zinc/22/25/48/1278222548.db2.gz ZXUMBDPXHMSMDL-JVLSTEMRSA-N 0 0 329.799 2.547 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC=C[C@H]2CO)ccc1C ZINC000922253669 1265122465 /nfs/dbraw/zinc/12/24/65/1265122465.db2.gz DSFOEBJIIYIFDP-SFHVURJKSA-N 0 0 338.407 2.588 10 10 EFCERN Cc1ccnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC000791627627 1278250068 /nfs/dbraw/zinc/25/00/68/1278250068.db2.gz HEDQNDSBRCPNST-UHFFFAOYSA-N 0 0 330.351 2.747 10 10 EFCERN O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824849172 1278312217 /nfs/dbraw/zinc/31/22/17/1278312217.db2.gz TWLBCWDWRFCYAM-JGPRNRPPSA-N 0 0 325.206 2.752 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cc(F)ccn1 ZINC000824856554 1278315537 /nfs/dbraw/zinc/31/55/37/1278315537.db2.gz ZZBJTZWNMJHUEY-UHFFFAOYSA-N 0 0 344.390 2.504 10 10 EFCERN CCCc1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000825087139 1278408334 /nfs/dbraw/zinc/40/83/34/1278408334.db2.gz XXPSCTOHXYLYRE-UHFFFAOYSA-N 0 0 333.407 2.893 10 10 EFCERN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000738551706 1268473667 /nfs/dbraw/zinc/47/36/67/1268473667.db2.gz IVRIRJNMWNGZJJ-UHFFFAOYSA-N 0 0 344.436 2.736 10 10 EFCERN [O-]c1c(Br)cccc1C[N@@H+](CCO)C1CCSCC1 ZINC000825129775 1278422244 /nfs/dbraw/zinc/42/22/44/1278422244.db2.gz DQZSELBCZFVCIO-UHFFFAOYSA-N 0 0 346.290 2.845 10 10 EFCERN O=C(Cc1cnn2ccccc12)Nc1c2nonc2ccc1Cl ZINC001128607980 1268920370 /nfs/dbraw/zinc/92/03/70/1268920370.db2.gz ZZSYXQLETXMDRM-UHFFFAOYSA-N 0 0 327.731 2.705 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCOC3)c1 ZINC000825240546 1278483028 /nfs/dbraw/zinc/48/30/28/1278483028.db2.gz HKNMGYFYVQLNPV-UHFFFAOYSA-N 0 0 328.368 2.795 10 10 EFCERN COC(=O)c1coc(/C=C\C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001128704326 1269639637 /nfs/dbraw/zinc/63/96/37/1269639637.db2.gz GVXVHYYQNNXMTL-DJWKRKHSSA-N 0 0 347.714 2.908 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)c1csc(-c2ncc[nH]2)n1 ZINC001128704772 1269643682 /nfs/dbraw/zinc/64/36/82/1269643682.db2.gz XZVVQCQLYNIJTN-UHFFFAOYSA-N 0 0 346.759 2.975 10 10 EFCERN COc1ccc(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)nc1 ZINC000825305852 1278499928 /nfs/dbraw/zinc/49/99/28/1278499928.db2.gz URASAYZHYPITJE-UHFFFAOYSA-N 0 0 344.434 2.618 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCC[C@H]3O)c2C)cc1 ZINC000742235501 1269946776 /nfs/dbraw/zinc/94/67/76/1269946776.db2.gz QWMKITDKOZLLFW-HNAYVOBHSA-N 0 0 342.439 2.994 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2ncccc2O)cc1F ZINC000792079736 1278522575 /nfs/dbraw/zinc/52/25/75/1278522575.db2.gz UKVZSFDKJMUPKL-UHFFFAOYSA-N 0 0 346.406 2.772 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000843831447 1270110737 /nfs/dbraw/zinc/11/07/37/1270110737.db2.gz PXYFAELABFNNCO-STQMWFEESA-N 0 0 331.416 2.988 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(N2CCCC2=O)ccc1F ZINC000743325998 1270535192 /nfs/dbraw/zinc/53/51/92/1270535192.db2.gz ACBMGHOLOXHVGG-UHFFFAOYSA-N 0 0 328.343 2.588 10 10 EFCERN CCOP(=O)(CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)OCC ZINC000843920414 1278661502 /nfs/dbraw/zinc/66/15/02/1278661502.db2.gz QOSOYQFJZFCOQH-VQHVLOKHSA-N 0 0 343.316 2.793 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccn(C2CCCCC2)n1 ZINC000792237411 1278661798 /nfs/dbraw/zinc/66/17/98/1278661798.db2.gz CQFYMOLXSMWTOB-UHFFFAOYSA-N 0 0 329.400 2.772 10 10 EFCERN O=C(c1cccc(O)c1O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000843978926 1278704281 /nfs/dbraw/zinc/70/42/81/1278704281.db2.gz ZMUSFWJWNHDGIR-KRWDZBQOSA-N 0 0 341.407 2.901 10 10 EFCERN Cc1nc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2o1 ZINC000792307336 1278718290 /nfs/dbraw/zinc/71/82/90/1278718290.db2.gz NHPVCEXHXCPEQO-SNVBAGLBSA-N 0 0 326.352 2.908 10 10 EFCERN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C(=O)OC(C)(C)C ZINC000844148124 1278774520 /nfs/dbraw/zinc/77/45/20/1278774520.db2.gz WJWZAUVEGGJAPJ-ZYHUDNBSSA-N 0 0 325.430 2.894 10 10 EFCERN C[N@@H+]1CCC[C@]2(CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000844210732 1278812311 /nfs/dbraw/zinc/81/23/11/1278812311.db2.gz GHMWDYREJUNRJF-SUZKBHRPSA-N 0 0 345.399 2.615 10 10 EFCERN C[N@@H+]1CCC[C@@]2(CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000844210731 1278813370 /nfs/dbraw/zinc/81/33/70/1278813370.db2.gz GHMWDYREJUNRJF-MJICGBHWSA-N 0 0 345.399 2.615 10 10 EFCERN CN(CCC[NH+]1CCCC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211781 1278813902 /nfs/dbraw/zinc/81/39/02/1278813902.db2.gz YZWHSPXTFNGEHJ-SOFGYWHQSA-N 0 0 333.388 2.615 10 10 EFCERN CN(Cc1cc2n(n1)CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000844268745 1278840123 /nfs/dbraw/zinc/84/01/23/1278840123.db2.gz ADYRPJBWFUMIKX-UHFFFAOYSA-N 0 0 340.471 2.688 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccc(C)cc1 ZINC000785777497 1275185083 /nfs/dbraw/zinc/18/50/83/1275185083.db2.gz DUZRPXWWUDNIMD-UHFFFAOYSA-N 0 0 327.380 2.775 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](CCOC(C)(C)C)C1=O ZINC000804171944 1275191770 /nfs/dbraw/zinc/19/17/70/1275191770.db2.gz MDGLPJUHWNDJLN-INIZCTEOSA-N 0 0 347.459 2.687 10 10 EFCERN CC[C@@]1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000785846920 1275212633 /nfs/dbraw/zinc/21/26/33/1275212633.db2.gz ZBAWFNWSFQTNAK-QLBOMPFWSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(N(C)CCN(C)Cc2nc(-c3ccoc3)no2)cc1 ZINC000844400081 1278948452 /nfs/dbraw/zinc/94/84/52/1278948452.db2.gz VHWUTYUGWQWKNH-UHFFFAOYSA-N 0 0 342.399 2.906 10 10 EFCERN CO[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786686843 1275475944 /nfs/dbraw/zinc/47/59/44/1275475944.db2.gz IAMHWJIVEHXOES-CYBMUJFWSA-N 0 0 333.354 2.519 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cnn(CC(F)(F)F)c2)cc1F ZINC000786848100 1275556165 /nfs/dbraw/zinc/55/61/65/1275556165.db2.gz GSGAKRPRWLLDBV-UHFFFAOYSA-N 0 0 344.312 2.581 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000786950583 1275587296 /nfs/dbraw/zinc/58/72/96/1275587296.db2.gz PRAWHAIRYAGOAD-NOZJJQNGSA-N 0 0 335.322 2.797 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000786950595 1275587548 /nfs/dbraw/zinc/58/75/48/1275587548.db2.gz PRAWHAIRYAGOAD-ZANVPECISA-N 0 0 335.322 2.797 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)COCC(F)F)c1 ZINC000787132378 1275675145 /nfs/dbraw/zinc/67/51/45/1275675145.db2.gz ZPHYIPBRVRIQFK-JTQLQIEISA-N 0 0 331.359 2.886 10 10 EFCERN CC[C@H](NC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000787308068 1275752082 /nfs/dbraw/zinc/75/20/82/1275752082.db2.gz GHABNDAQCXKGDO-AWEZNQCLSA-N 0 0 345.365 2.868 10 10 EFCERN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000787325856 1275757820 /nfs/dbraw/zinc/75/78/20/1275757820.db2.gz MJQKTVYJKNOBQW-QFYYESIMSA-N 0 0 335.787 2.986 10 10 EFCERN COCCN(Cc1scnc1C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000787685956 1275858334 /nfs/dbraw/zinc/85/83/34/1275858334.db2.gz SFDJHJYLDUGYHU-XQRVVYSFSA-N 0 0 348.424 2.551 10 10 EFCERN Cc1cc(CCNC(=O)N2C[C@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC000788314116 1276143760 /nfs/dbraw/zinc/14/37/60/1276143760.db2.gz ZBVQHXHKYMWWGX-AUUYWEPGSA-N 0 0 341.455 2.801 10 10 EFCERN CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccc2[nH]ccc2c1 ZINC000788551800 1276216009 /nfs/dbraw/zinc/21/60/09/1276216009.db2.gz MRKJOMMHUBGNEZ-DAXSKMNVSA-N 0 0 348.406 2.989 10 10 EFCERN CC[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccccc1O ZINC000788606567 1276238485 /nfs/dbraw/zinc/23/84/85/1276238485.db2.gz AEIIORRFBVWPQE-SFHVURJKSA-N 0 0 339.439 2.799 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000817777427 1276297109 /nfs/dbraw/zinc/29/71/09/1276297109.db2.gz IYRYCNSJMDGNTR-QGZVFWFLSA-N 0 0 331.460 2.650 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1cncc(O)c1 ZINC000922916514 1276328070 /nfs/dbraw/zinc/32/80/70/1276328070.db2.gz WASGTLNLELUIIA-CQSZACIVSA-N 0 0 342.443 2.592 10 10 EFCERN COC(=O)c1[nH]c(CN2CCOc3cc(N(C)C)ccc32)cc1C ZINC000788852073 1276356617 /nfs/dbraw/zinc/35/66/17/1276356617.db2.gz DGODOJCNTRTAKD-UHFFFAOYSA-N 0 0 329.400 2.575 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(C)C)cc1 ZINC000788954892 1276409788 /nfs/dbraw/zinc/40/97/88/1276409788.db2.gz OBCURZKZYABVOU-HNNXBMFYSA-N 0 0 333.476 2.557 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1nccs1)C(F)(F)F ZINC000818322468 1276506669 /nfs/dbraw/zinc/50/66/69/1276506669.db2.gz OMWXNHGVYAWXIN-DTRQGZQOSA-N 0 0 344.314 2.987 10 10 EFCERN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818362590 1276520181 /nfs/dbraw/zinc/52/01/81/1276520181.db2.gz XUJICUXFHQTDMH-QWRGUYRKSA-N 0 0 345.226 2.887 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CCCc1cccc(F)c1 ZINC000819168046 1276650895 /nfs/dbraw/zinc/65/08/95/1276650895.db2.gz KZABDRRDCOSPKO-UHFFFAOYSA-N 0 0 342.370 2.928 10 10 EFCERN COc1nn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000789319306 1276655030 /nfs/dbraw/zinc/65/50/30/1276655030.db2.gz VSKVIQXULNQUSD-UHFFFAOYSA-N 0 0 345.447 2.937 10 10 EFCERN COCc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000819580367 1276822486 /nfs/dbraw/zinc/82/24/86/1276822486.db2.gz IPADGTXMDSISMT-AWEZNQCLSA-N 0 0 344.411 2.691 10 10 EFCERN CCc1cnccc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585565 1276827385 /nfs/dbraw/zinc/82/73/85/1276827385.db2.gz GGWGAYBLYLCUBI-OAHLLOKOSA-N 0 0 339.439 2.909 10 10 EFCERN O=C(/C=C/C1CC1)NCc1cc(NC(=O)/C=C/C2CC2)ccc1O ZINC000923121289 1276829148 /nfs/dbraw/zinc/82/91/48/1276829148.db2.gz XWQIMOLIGREQAN-NXZHAISVSA-N 0 0 326.396 2.879 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)COc3ccsc3)C2)cc1 ZINC000819590597 1276835602 /nfs/dbraw/zinc/83/56/02/1276835602.db2.gz LGDKXAJNDJVDFX-CQSZACIVSA-N 0 0 346.452 2.778 10 10 EFCERN C[C@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC000819680690 1276874788 /nfs/dbraw/zinc/87/47/88/1276874788.db2.gz GILHWJUVYNPZPG-FZMZJTMJSA-N 0 0 335.400 2.680 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000819973894 1276957002 /nfs/dbraw/zinc/95/70/02/1276957002.db2.gz DSDPXPBHIRTVKC-SJLPKXTDSA-N 0 0 334.460 2.543 10 10 EFCERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000819974430 1276957943 /nfs/dbraw/zinc/95/79/43/1276957943.db2.gz MFAUACAFRYDRPS-IBGZPJMESA-N 0 0 346.471 2.687 10 10 EFCERN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000789848955 1277055978 /nfs/dbraw/zinc/05/59/78/1277055978.db2.gz CXYBLTSRYGJKRR-SNVBAGLBSA-N 0 0 330.384 2.708 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3Cc4c[nH]nc4C3)c2C)cc1 ZINC000820212777 1277056491 /nfs/dbraw/zinc/05/64/91/1277056491.db2.gz BTDAETLZFUVSPB-UHFFFAOYSA-N 0 0 336.395 2.982 10 10 EFCERN O=C([O-])[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCc2c1cccc2F ZINC000789902137 1277088596 /nfs/dbraw/zinc/08/85/96/1277088596.db2.gz KYDRJYWTOLRENB-LJQANCHMSA-N 0 0 327.355 2.777 10 10 EFCERN CN(C)c1ccc(C[NH2+][C@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000789902066 1277088952 /nfs/dbraw/zinc/08/89/52/1277088952.db2.gz JGNHFRYBJPOPQI-LJQANCHMSA-N 0 0 328.387 2.908 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000923274883 1277451116 /nfs/dbraw/zinc/45/11/16/1277451116.db2.gz VBANAMFXMXUBCE-GJZGRUSLSA-N 0 0 344.386 2.903 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(F)(F)C2CCOCC2)cc1F ZINC000790536487 1277609336 /nfs/dbraw/zinc/60/93/36/1277609336.db2.gz DRPZATWTBFGMLL-UHFFFAOYSA-N 0 0 330.350 2.570 10 10 EFCERN COC(=O)c1ccc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001175037315 1287301017 /nfs/dbraw/zinc/30/10/17/1287301017.db2.gz FEBUEKXVUIICKY-UHFFFAOYSA-N 0 0 331.755 2.988 10 10 EFCERN COC(=O)C(C)(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790890213 1277832516 /nfs/dbraw/zinc/83/25/16/1277832516.db2.gz HWNWPKVAHFOOBF-MRXNPFEDSA-N 0 0 343.379 2.768 10 10 EFCERN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2OC)c(O)c1 ZINC000792765988 1279163484 /nfs/dbraw/zinc/16/34/84/1279163484.db2.gz LQFWFYYLFRHVDS-GFCCVEGCSA-N 0 0 330.384 2.970 10 10 EFCERN COC1(C[C@H]2NC(=O)N([C@H](C)c3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844721052 1279199009 /nfs/dbraw/zinc/19/90/09/1279199009.db2.gz WMZDKXSCZUMTKT-CZUORRHYSA-N 0 0 345.443 2.693 10 10 EFCERN C[C@]1(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C[C@]1(F)Cl ZINC000844736636 1279241866 /nfs/dbraw/zinc/24/18/66/1279241866.db2.gz WAAKJAACYBTZIE-JKSUJKDBSA-N 0 0 340.782 2.861 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@H]2OC)cc1 ZINC000844857451 1279288138 /nfs/dbraw/zinc/28/81/38/1279288138.db2.gz XOTPELDKLHPPML-ZWKOTPCHSA-N 0 0 334.460 2.795 10 10 EFCERN Cc1ccncc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792951885 1279301598 /nfs/dbraw/zinc/30/15/98/1279301598.db2.gz KVNJZLGGCWHSPO-UHFFFAOYSA-N 0 0 330.407 2.937 10 10 EFCERN COc1ccc(CNC(=O)N[C@H]2CCc3ccccc3C2)c(O)c1 ZINC000792957521 1279304829 /nfs/dbraw/zinc/30/48/29/1279304829.db2.gz QZOFXGKJYJFCKG-INIZCTEOSA-N 0 0 326.396 2.758 10 10 EFCERN CN(C)c1ncccc1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844880872 1279313551 /nfs/dbraw/zinc/31/35/51/1279313551.db2.gz UXWPKPCVJSJSCO-UHFFFAOYSA-N 0 0 334.807 2.506 10 10 EFCERN CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844887479 1279316865 /nfs/dbraw/zinc/31/68/65/1279316865.db2.gz GZOCORWJHDFZBG-YJBOKZPZSA-N 0 0 333.476 2.883 10 10 EFCERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844887475 1279317111 /nfs/dbraw/zinc/31/71/11/1279317111.db2.gz GZOCORWJHDFZBG-CRAIPNDOSA-N 0 0 333.476 2.883 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844922043 1279342558 /nfs/dbraw/zinc/34/25/58/1279342558.db2.gz ZMRKKMQTINAICK-DOMZBBRYSA-N 0 0 326.396 2.866 10 10 EFCERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCCCSc1nccs1 ZINC000845045502 1279413033 /nfs/dbraw/zinc/41/30/33/1279413033.db2.gz HLRVHDDRLSMHCP-VXGBXAGGSA-N 0 0 331.507 2.722 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NCc2cccnc2F)cc1 ZINC000845164686 1279471473 /nfs/dbraw/zinc/47/14/73/1279471473.db2.gz KIYWXAWVFWYHSW-UHFFFAOYSA-N 0 0 346.406 2.507 10 10 EFCERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1SC ZINC000845281332 1279531975 /nfs/dbraw/zinc/53/19/75/1279531975.db2.gz MUEUFODAJYTDHR-BNOWGMLFSA-N 0 0 344.864 2.754 10 10 EFCERN CN(C)c1ccc(CNC(=O)C2(C(=O)OC(C)(C)C)CC2)cc1F ZINC000845333796 1279570403 /nfs/dbraw/zinc/57/04/03/1279570403.db2.gz ABRODEPPEZJEPC-UHFFFAOYSA-N 0 0 336.407 2.630 10 10 EFCERN NC(=O)[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000845445003 1279635537 /nfs/dbraw/zinc/63/55/37/1279635537.db2.gz DWRJPJODVPMQKW-GASCZTMLSA-N 0 0 345.443 2.500 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC(C3(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000845604377 1279755155 /nfs/dbraw/zinc/75/51/55/1279755155.db2.gz DNMSWZZYTQSDSS-HYXAFXHYSA-N 0 0 346.383 2.522 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC(C3(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000845604367 1279756083 /nfs/dbraw/zinc/75/60/83/1279756083.db2.gz DNMSWZZYTQSDSS-HWKANZROSA-N 0 0 346.383 2.522 10 10 EFCERN COc1ccc(N(C)CCN(C)c2nc([C@H](C)OC)ns2)cc1 ZINC000845671097 1279780709 /nfs/dbraw/zinc/78/07/09/1279780709.db2.gz ZDDXMDSHIQZJGK-LBPRGKRZSA-N 0 0 336.461 2.827 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000845710910 1279791300 /nfs/dbraw/zinc/79/13/00/1279791300.db2.gz ZUIWIRGYRKAGSA-DIECRNLCSA-N 0 0 348.399 2.626 10 10 EFCERN CN(C)c1ccc(/C=C\CN2CCn3c(CC4CC4)nnc3C2)cc1 ZINC000846012886 1279977272 /nfs/dbraw/zinc/97/72/72/1279977272.db2.gz BRFIVTSOCJXMLA-ARJAWSKDSA-N 0 0 337.471 2.826 10 10 EFCERN CCOc1ccc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000793999092 1279988850 /nfs/dbraw/zinc/98/88/50/1279988850.db2.gz QCMDHVZYIGOXSL-KRWDZBQOSA-N 0 0 345.443 2.715 10 10 EFCERN Cn1nccc1[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000846116587 1280024441 /nfs/dbraw/zinc/02/44/41/1280024441.db2.gz UUZXVQSEIXDRSJ-FQEVSTJZSA-N 0 0 340.471 2.984 10 10 EFCERN COc1cccc([C@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1O ZINC000846157897 1280040874 /nfs/dbraw/zinc/04/08/74/1280040874.db2.gz HFBLVYJOKLNSIU-ZDUSSCGKSA-N 0 0 341.411 2.510 10 10 EFCERN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168788 1280045161 /nfs/dbraw/zinc/04/51/61/1280045161.db2.gz VSXIFAYXHNYGJZ-XJKSGUPXSA-N 0 0 328.412 2.929 10 10 EFCERN COCCNC(=O)c1cccc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846170486 1280046188 /nfs/dbraw/zinc/04/61/88/1280046188.db2.gz LKKWSEPZYGBERK-CYBMUJFWSA-N 0 0 344.411 2.950 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CNc2ccccc2C1 ZINC000846144062 1280051377 /nfs/dbraw/zinc/05/13/77/1280051377.db2.gz FXNHBKDJEQAVKZ-SFHVURJKSA-N 0 0 348.450 2.899 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846215584 1280072102 /nfs/dbraw/zinc/07/21/02/1280072102.db2.gz LVCPLQAXOUBSBQ-XHDPSFHLSA-N 0 0 343.383 2.727 10 10 EFCERN CC(C)[N@H+](Cc1cccs1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846235817 1280079748 /nfs/dbraw/zinc/07/97/48/1280079748.db2.gz CTCMCWLQOPVPRM-UHFFFAOYSA-N 0 0 346.412 2.605 10 10 EFCERN CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252605 1280087994 /nfs/dbraw/zinc/08/79/94/1280087994.db2.gz ATKDJDHFDZGKBV-FZMZJTMJSA-N 0 0 332.404 2.534 10 10 EFCERN CC(C)n1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000794254115 1280091027 /nfs/dbraw/zinc/09/10/27/1280091027.db2.gz HKTSQZGVGKMWSJ-UHFFFAOYSA-N 0 0 327.432 2.779 10 10 EFCERN CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846247766 1280100458 /nfs/dbraw/zinc/10/04/58/1280100458.db2.gz CYKNKZRCEJSWNV-CQSZACIVSA-N 0 0 346.431 2.924 10 10 EFCERN COc1ccc(C2CCN(C(=O)c3cccc(O)c3O)CC2)nc1 ZINC000846296495 1280105448 /nfs/dbraw/zinc/10/54/48/1280105448.db2.gz GTKINPZMJGNAAK-UHFFFAOYSA-N 0 0 328.368 2.521 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn(C(C)C)nn2)cc1F ZINC000794317799 1280120519 /nfs/dbraw/zinc/12/05/19/1280120519.db2.gz ZVHFBCSRXBRWIN-UHFFFAOYSA-N 0 0 333.411 2.774 10 10 EFCERN COc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)c(O)c1 ZINC000794370982 1280125184 /nfs/dbraw/zinc/12/51/84/1280125184.db2.gz UGLFNZAOGRYWCS-UHFFFAOYSA-N 0 0 341.342 2.860 10 10 EFCERN COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000846434280 1280150026 /nfs/dbraw/zinc/15/00/26/1280150026.db2.gz XWOSWHCAPGUHSE-ZWKOTPCHSA-N 0 0 342.439 2.624 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000846441299 1280153360 /nfs/dbraw/zinc/15/33/60/1280153360.db2.gz WNDLKGKKMDQSCS-XBXGTLAGSA-N 0 0 345.830 2.741 10 10 EFCERN COc1ccc(CNC(=O)/C=C/c2cnc3ccccc3n2)c(O)c1 ZINC000794373014 1280157481 /nfs/dbraw/zinc/15/74/81/1280157481.db2.gz DQZYSDDHHYBHLC-VQHVLOKHSA-N 0 0 335.363 2.674 10 10 EFCERN CCC(=O)c1ccc(OCC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794381035 1280161648 /nfs/dbraw/zinc/16/16/48/1280161648.db2.gz IMOOIBLJAIYCFI-UHFFFAOYSA-N 0 0 343.379 2.689 10 10 EFCERN COc1ccc(CNC(=O)c2csc(C(F)(F)F)n2)c(O)c1 ZINC000794381741 1280163459 /nfs/dbraw/zinc/16/34/59/1280163459.db2.gz SMDPTBOVZDCBSY-UHFFFAOYSA-N 0 0 332.303 2.806 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3cc(OC)ccc3n2)c(O)c1 ZINC000794382786 1280163731 /nfs/dbraw/zinc/16/37/31/1280163731.db2.gz IHMFFWUFLQEJBP-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN COc1ccc2[nH]c(C(=O)NCc3ccc(OC)cc3O)cc2c1 ZINC000794382419 1280164930 /nfs/dbraw/zinc/16/49/30/1280164930.db2.gz WINFQDICVNFKSE-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN COc1ccc(CNC(=O)Cc2c(Cl)cccc2OC)c(O)c1 ZINC000794389667 1280167671 /nfs/dbraw/zinc/16/76/71/1280167671.db2.gz BZVRFBLMIBNZIM-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1CC(F)(F)F ZINC000846476009 1280191494 /nfs/dbraw/zinc/19/14/94/1280191494.db2.gz HWMYVNMBEXMCIO-NSHDSACASA-N 0 0 336.741 2.689 10 10 EFCERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1cc(Cl)ccc1O ZINC000846476741 1280193042 /nfs/dbraw/zinc/19/30/42/1280193042.db2.gz PPGXYLKSFUNHGY-ZDUSSCGKSA-N 0 0 341.839 2.540 10 10 EFCERN Cc1cc(C(=O)NCCC2(CO)CCC2)c(C)n1-c1ccccn1 ZINC000846568520 1280264322 /nfs/dbraw/zinc/26/43/22/1280264322.db2.gz SKLUCPRKLODLQQ-UHFFFAOYSA-N 0 0 327.428 2.772 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1ccc(F)cc1 ZINC000846558378 1280276238 /nfs/dbraw/zinc/27/62/38/1280276238.db2.gz FNJXDQRTBDYIMI-YWTKSJFSSA-N 0 0 346.427 2.579 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)CC(F)(F)CN)cc2)CC1 ZINC000846673054 1280394915 /nfs/dbraw/zinc/39/49/15/1280394915.db2.gz MXJURDNMAZSDFY-UHFFFAOYSA-N 0 0 325.403 2.523 10 10 EFCERN COCc1ccccc1CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000804941039 1280404584 /nfs/dbraw/zinc/40/45/84/1280404584.db2.gz JWMMEIGKGRQCQE-UHFFFAOYSA-N 0 0 348.468 2.519 10 10 EFCERN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C\c3cncc(O)c3)ccc12 ZINC000805355390 1280526365 /nfs/dbraw/zinc/52/63/65/1280526365.db2.gz ROTOUAGLNWEGBU-UTCJRWHESA-N 0 0 336.347 2.878 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1C[C@H]1C1CC1 ZINC000805424776 1280557501 /nfs/dbraw/zinc/55/75/01/1280557501.db2.gz CELCSGCAJSTZFX-NWDGAFQWSA-N 0 0 325.206 2.752 10 10 EFCERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C(C)=C\c2cccnc2)C1 ZINC000846929931 1280624304 /nfs/dbraw/zinc/62/43/04/1280624304.db2.gz NHWCYVCYHSBVAA-RXEWJAMOSA-N 0 0 335.407 2.579 10 10 EFCERN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000872119791 1287435289 /nfs/dbraw/zinc/43/52/89/1287435289.db2.gz VTGGNNALSGBSGE-KVAMGIGCSA-N 0 0 345.411 2.677 10 10 EFCERN Nc1ccc(Cc2noc(C3([C@@H]4CCCCO4)CCOCC3)n2)cc1 ZINC000872170042 1287458939 /nfs/dbraw/zinc/45/89/39/1287458939.db2.gz BIANVAYJPMMSLG-INIZCTEOSA-N 0 0 343.427 2.860 10 10 EFCERN CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Cl)c1[O-] ZINC000806145503 1280990431 /nfs/dbraw/zinc/99/04/31/1280990431.db2.gz KQJRGUNEDAHISH-CQSZACIVSA-N 0 0 346.880 2.512 10 10 EFCERN CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000806440470 1281063911 /nfs/dbraw/zinc/06/39/11/1281063911.db2.gz WIVICIJBHSEPNH-CALCHBBNSA-N 0 0 349.500 2.559 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCC1(F)F ZINC000806673239 1281123977 /nfs/dbraw/zinc/12/39/77/1281123977.db2.gz BUWJYFAQONROTQ-GFCCVEGCSA-N 0 0 344.745 2.998 10 10 EFCERN C[C@H](NC(=O)N1CCOC[C@@H]1CC(F)F)c1ccc(N(C)C)cc1 ZINC000807141798 1281224667 /nfs/dbraw/zinc/22/46/67/1281224667.db2.gz VWSQZISRLPTVLJ-WFASDCNBSA-N 0 0 341.402 2.879 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)C(C)C ZINC000807271776 1281267668 /nfs/dbraw/zinc/26/76/68/1281267668.db2.gz MCVXCHYPRRPXGP-HNNXBMFYSA-N 0 0 333.476 2.509 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC2(C(F)F)OCCO2)cc1 ZINC001130968816 1281336397 /nfs/dbraw/zinc/33/63/97/1281336397.db2.gz DSPMIIRLRZPHHN-UHFFFAOYSA-N 0 0 336.338 2.790 10 10 EFCERN Cn1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(-c2ccco2)n1 ZINC001147911662 1281356874 /nfs/dbraw/zinc/35/68/74/1281356874.db2.gz DDQZOBZNDCUITK-ALCCZGGFSA-N 0 0 325.324 2.743 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC001147957795 1281377141 /nfs/dbraw/zinc/37/71/41/1281377141.db2.gz WGNCYUGQOONXDR-UHFFFAOYSA-N 0 0 347.346 2.744 10 10 EFCERN Cc1c(C(=O)NCc2cc(C)ccc2O)nnn1-c1ccc(C)cc1 ZINC001147957227 1281377483 /nfs/dbraw/zinc/37/74/83/1281377483.db2.gz OJUJZCUESKJOFX-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCCN(C)C2=O)c1O ZINC000872264129 1287508284 /nfs/dbraw/zinc/50/82/84/1287508284.db2.gz ZGNMIDWFXNEHHF-OAHLLOKOSA-N 0 0 338.835 2.691 10 10 EFCERN Cc1cc(C(=O)N[C@]23CCC[C@H]2OCC3)c(C)n1-c1ccccn1 ZINC000872270646 1287513365 /nfs/dbraw/zinc/51/33/65/1287513365.db2.gz UOTGMBAUQGDCBA-APWZRJJASA-N 0 0 325.412 2.931 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000808495648 1281737019 /nfs/dbraw/zinc/73/70/19/1281737019.db2.gz UIPPNMTXIBEBLK-UHFFFAOYSA-N 0 0 346.360 2.501 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000808497188 1281737561 /nfs/dbraw/zinc/73/75/61/1281737561.db2.gz SSPQFAVVUXTSSK-UHFFFAOYSA-N 0 0 340.335 2.646 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000808501417 1281741051 /nfs/dbraw/zinc/74/10/51/1281741051.db2.gz JBAXEGWECWBYDA-UHFFFAOYSA-N 0 0 328.368 2.619 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000808529853 1281744262 /nfs/dbraw/zinc/74/42/62/1281744262.db2.gz WIXNPQYOPDGAHV-UHFFFAOYSA-N 0 0 335.356 2.657 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000808504744 1281745014 /nfs/dbraw/zinc/74/50/14/1281745014.db2.gz LSMPXESFVGMABR-ZDUSSCGKSA-N 0 0 327.336 2.537 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC000808513793 1281747720 /nfs/dbraw/zinc/74/77/20/1281747720.db2.gz LWZWIEKDBUHEJF-OAHLLOKOSA-N 0 0 340.375 2.746 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000808522447 1281752110 /nfs/dbraw/zinc/75/21/10/1281752110.db2.gz UHTQCLZEDVZEIG-UHFFFAOYSA-N 0 0 335.356 2.657 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000808536401 1281766056 /nfs/dbraw/zinc/76/60/56/1281766056.db2.gz RMLTXYTWQLHLSP-UHFFFAOYSA-N 0 0 341.241 2.675 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000747517425 1281818540 /nfs/dbraw/zinc/81/85/40/1281818540.db2.gz ARRQIZCLSOHOPS-JTQLQIEISA-N 0 0 327.340 2.875 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000808730603 1281884940 /nfs/dbraw/zinc/88/49/40/1281884940.db2.gz YPBFZMXQBKLLLP-XHDPSFHLSA-N 0 0 345.370 2.972 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000809338349 1282155635 /nfs/dbraw/zinc/15/56/35/1282155635.db2.gz FSNUHNWQBYYPBQ-HWKANZROSA-N 0 0 330.262 2.780 10 10 EFCERN COc1nccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001132048127 1282845524 /nfs/dbraw/zinc/84/55/24/1282845524.db2.gz KIILPBOGPGBGJI-UHFFFAOYSA-N 0 0 336.395 2.823 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000810170760 1282964834 /nfs/dbraw/zinc/96/48/34/1282964834.db2.gz ATIGTGBHVNZKNS-NSHDSACASA-N 0 0 336.233 2.833 10 10 EFCERN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815575191 1287631260 /nfs/dbraw/zinc/63/12/60/1287631260.db2.gz LINFSWOXGZJBSO-SNVBAGLBSA-N 0 0 332.322 2.904 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1F ZINC000811501853 1284382984 /nfs/dbraw/zinc/38/29/84/1284382984.db2.gz AJUSPVSAVZSBIC-GOSISDBHSA-N 0 0 334.435 2.852 10 10 EFCERN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000812298955 1285062528 /nfs/dbraw/zinc/06/25/28/1285062528.db2.gz XHLHRIFNGVUBCB-OAHLLOKOSA-N 0 0 341.407 2.940 10 10 EFCERN CCC(=O)Nc1ccccc1C(=O)NCc1cc(OC)ccc1O ZINC000812510178 1285192332 /nfs/dbraw/zinc/19/23/32/1285192332.db2.gz WEZOEDZANCQUSI-UHFFFAOYSA-N 0 0 328.368 2.679 10 10 EFCERN CO[C@@](C)(C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000812574347 1285232804 /nfs/dbraw/zinc/23/28/04/1285232804.db2.gz NBRDQPMZDRBUQK-CQSZACIVSA-N 0 0 328.206 2.586 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812735828 1285387970 /nfs/dbraw/zinc/38/79/70/1285387970.db2.gz BDGUXRGSBVDUJE-GFCCVEGCSA-N 0 0 343.427 2.642 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cn(C)nc1C1CC1 ZINC000812997167 1285574172 /nfs/dbraw/zinc/57/41/72/1285574172.db2.gz KBSXZXNKDCLZCH-UHFFFAOYSA-N 0 0 327.432 2.994 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1 ZINC000813037302 1285605647 /nfs/dbraw/zinc/60/56/47/1285605647.db2.gz MLMPAZXFNIINPC-QGZVFWFLSA-N 0 0 349.500 2.560 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CCOC2)cc1F ZINC000813062370 1285625424 /nfs/dbraw/zinc/62/54/24/1285625424.db2.gz LKZJPZWJIALYOL-OAHLLOKOSA-N 0 0 337.439 2.992 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)N1CSCCSC1)c1ccccc1O ZINC001171722936 1285741396 /nfs/dbraw/zinc/74/13/96/1285741396.db2.gz GXEMCMVHEMBSJC-VXGBXAGGSA-N 0 0 326.487 2.655 10 10 EFCERN C[C@H](NC(=O)CN1Cc2ccccc2OC1=O)c1ccccc1O ZINC001171730957 1285746575 /nfs/dbraw/zinc/74/65/75/1285746575.db2.gz ULHLKRSIBXDJOX-LBPRGKRZSA-N 0 0 326.352 2.584 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000822553805 1289029895 /nfs/dbraw/zinc/02/98/95/1289029895.db2.gz NUWKGRVHHWNQCQ-KRWDZBQOSA-N 0 0 334.485 2.671 10 10 EFCERN CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000822553613 1289030460 /nfs/dbraw/zinc/03/04/60/1289030460.db2.gz LHFWTTHEXIDRFY-RDJZCZTQSA-N 0 0 334.485 2.671 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@H](O)Cc2ccccc2)cc1F ZINC000813430772 1285904733 /nfs/dbraw/zinc/90/47/33/1285904733.db2.gz VPBBUWRJLYRFNK-MRXNPFEDSA-N 0 0 330.403 2.502 10 10 EFCERN C[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000813424303 1285920251 /nfs/dbraw/zinc/92/02/51/1285920251.db2.gz KVFWNPDLHGYQAN-QAPCUYQASA-N 0 0 348.487 2.888 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2cccc2)ccn1 ZINC000813513423 1285955704 /nfs/dbraw/zinc/95/57/04/1285955704.db2.gz MYYFIOLSDJTGCA-ZDUSSCGKSA-N 0 0 337.379 2.645 10 10 EFCERN COC(=O)c1cc(NC(=O)c2cccc(O)c2O)cc2[nH]ccc21 ZINC000813864567 1286149205 /nfs/dbraw/zinc/14/92/05/1286149205.db2.gz XYLADSRAVBYOGN-UHFFFAOYSA-N 0 0 326.308 2.618 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2nn3c(c2C)OCCC3)cc1 ZINC000822596084 1289058852 /nfs/dbraw/zinc/05/88/52/1289058852.db2.gz NSQPYTAILSDRPH-UHFFFAOYSA-N 0 0 342.443 2.750 10 10 EFCERN C/C(=C/C(=O)N1C[C@@H](C)Oc2cc(F)c(F)cc21)c1cnccn1 ZINC001134155041 1286384832 /nfs/dbraw/zinc/38/48/32/1286384832.db2.gz RUYOEYCXVYCJLG-GULOHRGCSA-N 0 0 331.322 2.972 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000822729089 1289093466 /nfs/dbraw/zinc/09/34/66/1289093466.db2.gz RKLJUJMGYQBDOK-MUJYYYPQSA-N 0 0 331.485 2.838 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC34CC4)cc2F)C[C@H](C)O1 ZINC000822729351 1289094038 /nfs/dbraw/zinc/09/40/38/1289094038.db2.gz VVWOBPNQWVZTGC-AHIWAGSCSA-N 0 0 347.434 2.791 10 10 EFCERN COC(=O)[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000822753569 1289099756 /nfs/dbraw/zinc/09/97/56/1289099756.db2.gz CVRUMTZOPOPFJS-INIZCTEOSA-N 0 0 340.423 2.658 10 10 EFCERN COc1cccc2c1[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CC2 ZINC000816029138 1287962481 /nfs/dbraw/zinc/96/24/81/1287962481.db2.gz WNZMTVZPKMADKE-IUODEOHRSA-N 0 0 341.407 2.884 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000822919551 1289153341 /nfs/dbraw/zinc/15/33/41/1289153341.db2.gz LIDPESPFGQNLGB-QAPCUYQASA-N 0 0 332.444 2.549 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000822919549 1289153440 /nfs/dbraw/zinc/15/34/40/1289153440.db2.gz LIDPESPFGQNLGB-MAUKXSAKSA-N 0 0 332.444 2.549 10 10 EFCERN Cc1ccc(N2CCCC2)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176748188 1288093692 /nfs/dbraw/zinc/09/36/92/1288093692.db2.gz MATFJFOKBONYDA-UHFFFAOYSA-N 0 0 326.396 2.936 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c2c(n1)onc2C(C)C ZINC001176748575 1288093772 /nfs/dbraw/zinc/09/37/72/1288093772.db2.gz WWKJHGSYUFMQRI-UHFFFAOYSA-N 0 0 341.367 2.996 10 10 EFCERN O=C(CCOc1ccc(F)cc1Cl)NCc1cc(O)ccc1O ZINC001176747864 1288093836 /nfs/dbraw/zinc/09/38/36/1288093836.db2.gz DBMSWBYMTYXOTJ-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN C[C@H](CC(=O)NCc1cc(O)ccc1O)C(=O)c1cccc(F)c1 ZINC001176755427 1288119897 /nfs/dbraw/zinc/11/98/97/1288119897.db2.gz PLNWOLPXMGAMJC-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000816653662 1288231056 /nfs/dbraw/zinc/23/10/56/1288231056.db2.gz CLFKGQWEXMAWRW-JSGCOSHPSA-N 0 0 342.233 2.976 10 10 EFCERN O=C(/C=C\c1cnc2ccccc2n1)N1C[C@@H](CO)Cc2ccccc21 ZINC000816783472 1288270850 /nfs/dbraw/zinc/27/08/50/1288270850.db2.gz UVVWFCNWBNCWBH-KVPUOBJLSA-N 0 0 345.402 2.841 10 10 EFCERN O=C(/C=C\c1cnc2ccccc2n1)N1C[C@H](CO)Cc2ccccc21 ZINC000816783471 1288270879 /nfs/dbraw/zinc/27/08/79/1288270879.db2.gz UVVWFCNWBNCWBH-FJVVXJACSA-N 0 0 345.402 2.841 10 10 EFCERN COc1ccc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2c1 ZINC001135703216 1288287017 /nfs/dbraw/zinc/28/70/17/1288287017.db2.gz URLPGLPHUAIONG-UHFFFAOYSA-N 0 0 330.365 2.897 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC001135749297 1288331554 /nfs/dbraw/zinc/33/15/54/1288331554.db2.gz KNRLHLWPRHTBPP-UITAMQMPSA-N 0 0 338.363 2.642 10 10 EFCERN CC(C)(NC(=O)c1cccc(O)c1O)c1cc(C(F)(F)F)on1 ZINC000817041336 1288388646 /nfs/dbraw/zinc/38/86/46/1288388646.db2.gz XNZVAPBDAVVDMH-UHFFFAOYSA-N 0 0 330.262 2.770 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc2[nH]cnc21 ZINC001135800656 1288392043 /nfs/dbraw/zinc/39/20/43/1288392043.db2.gz KXJWMYKNFOLQRR-UHFFFAOYSA-N 0 0 335.411 2.830 10 10 EFCERN C[C@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc(N(C)C)cc1 ZINC000817166299 1288447256 /nfs/dbraw/zinc/44/72/56/1288447256.db2.gz XCACEACKZLFMMK-WMLDXEAASA-N 0 0 331.460 2.903 10 10 EFCERN CCc1nccn1CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001177515041 1288457869 /nfs/dbraw/zinc/45/78/69/1288457869.db2.gz YGRGMDOEPXNNCI-UHFFFAOYSA-N 0 0 337.427 2.678 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001135914388 1288592579 /nfs/dbraw/zinc/59/25/79/1288592579.db2.gz DRLUQTATAZJMEZ-JKSUJKDBSA-N 0 0 347.459 2.624 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3CCC(OC)CC3)C2)cc1 ZINC000852378176 1299682757 /nfs/dbraw/zinc/68/27/57/1299682757.db2.gz JAGYHRCDPOMDCK-CKDBGZEDSA-N 0 0 347.459 2.531 10 10 EFCERN Cc1ccccc1[C@@H](CO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177948028 1288610346 /nfs/dbraw/zinc/61/03/46/1288610346.db2.gz FIQPJTQKXISTML-MRXNPFEDSA-N 0 0 340.383 2.963 10 10 EFCERN COCCOC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571533 1288657151 /nfs/dbraw/zinc/65/71/51/1288657151.db2.gz RNEDQFODQYWVCH-AWEZNQCLSA-N 0 0 343.851 2.733 10 10 EFCERN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000817640515 1288677050 /nfs/dbraw/zinc/67/70/50/1288677050.db2.gz QAPQOBBNCLQTET-INIZCTEOSA-N 0 0 339.439 2.611 10 10 EFCERN O=C(CCc1nc(-c2ccsc2)no1)NCc1c(O)cccc1F ZINC001178410280 1288778402 /nfs/dbraw/zinc/77/84/02/1288778402.db2.gz PCEDNSYXHGVJJC-UHFFFAOYSA-N 0 0 347.371 2.892 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000821978560 1288852270 /nfs/dbraw/zinc/85/22/70/1288852270.db2.gz MWHZYAFOBDQKBK-ZDUSSCGKSA-N 0 0 330.363 2.630 10 10 EFCERN Cc1cc(CC(=O)N[C@H](C)c2nncn2C)c(C)n1-c1ccccc1 ZINC000822257994 1288933827 /nfs/dbraw/zinc/93/38/27/1288933827.db2.gz PYVRCIDZFIIVGT-CQSZACIVSA-N 0 0 337.427 2.643 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(F)cc1Br ZINC001178905027 1288976733 /nfs/dbraw/zinc/97/67/33/1288976733.db2.gz DTWKBPOJOSEOFC-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1noc2c1CCc1ccccc1-2 ZINC001178916773 1288982579 /nfs/dbraw/zinc/98/25/79/1288982579.db2.gz AIFSUSSWVFGBPC-UHFFFAOYSA-N 0 0 336.347 2.781 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000823292956 1289273034 /nfs/dbraw/zinc/27/30/34/1289273034.db2.gz VIGOHLQQSZQIGL-LJQANCHMSA-N 0 0 346.471 2.735 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)CC1CCCC1 ZINC000823575752 1289337268 /nfs/dbraw/zinc/33/72/68/1289337268.db2.gz AKEDZUQFMFAGSJ-KRWDZBQOSA-N 0 0 335.444 2.699 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)C1CCCCC1 ZINC000823575810 1289337594 /nfs/dbraw/zinc/33/75/94/1289337594.db2.gz BUVQSQXNOLFMTF-GOSISDBHSA-N 0 0 335.444 2.699 10 10 EFCERN COc1cc(CN2CC(F)(F)C[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000825622778 1289356010 /nfs/dbraw/zinc/35/60/10/1289356010.db2.gz XSHMYMCLPUJRQQ-GFCCVEGCSA-N 0 0 329.387 2.900 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823663172 1289404699 /nfs/dbraw/zinc/40/46/99/1289404699.db2.gz NGBLBLBQMBTDMM-KBRIMQKVSA-N 0 0 326.444 2.635 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCCSCC3)C2)cc1 ZINC000823718960 1289429538 /nfs/dbraw/zinc/42/95/38/1289429538.db2.gz GLRMYXVHCKKVBS-HNNXBMFYSA-N 0 0 349.500 2.670 10 10 EFCERN COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1O)CC1CCCC1 ZINC001180206600 1289443927 /nfs/dbraw/zinc/44/39/27/1289443927.db2.gz MFQKLENVHVEUFT-ZDUSSCGKSA-N 0 0 335.400 2.506 10 10 EFCERN CO[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000823834981 1289464326 /nfs/dbraw/zinc/46/43/26/1289464326.db2.gz SBKXDSCHACROAM-UWWQBHOKSA-N 0 0 332.444 2.516 10 10 EFCERN Cc1ccc([C@H]2COCCN2C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001136791783 1289484714 /nfs/dbraw/zinc/48/47/14/1289484714.db2.gz AXKLYDQONXZTCI-CQSZACIVSA-N 0 0 342.355 2.964 10 10 EFCERN O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000824516175 1289678981 /nfs/dbraw/zinc/67/89/81/1289678981.db2.gz KAFZHVJLZHJPKX-GFCCVEGCSA-N 0 0 337.828 2.706 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636067 1289733393 /nfs/dbraw/zinc/73/33/93/1289733393.db2.gz LPESJDWLUZFDOM-PKOBYXMFSA-N 0 0 331.387 2.701 10 10 EFCERN CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H](O)C(F)F ZINC000824637512 1289733572 /nfs/dbraw/zinc/73/35/72/1289733572.db2.gz XOEGMXRIHFXPBZ-CMPLNLGQSA-N 0 0 338.192 2.957 10 10 EFCERN Cc1cc(C(=O)OC[C@@H]2CCCCNC2=O)c(C)n1-c1ccccn1 ZINC000873619555 1289972671 /nfs/dbraw/zinc/97/26/71/1289972671.db2.gz RXSPEZPXMKZNTM-HNNXBMFYSA-N 0 0 341.411 2.562 10 10 EFCERN Cc1cc(C(=O)OC[C@H]2CCCCNC2=O)c(C)n1-c1ccccn1 ZINC000873619556 1289973260 /nfs/dbraw/zinc/97/32/60/1289973260.db2.gz RXSPEZPXMKZNTM-OAHLLOKOSA-N 0 0 341.411 2.562 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(OC(F)F)c2)c1 ZINC000825736926 1290263056 /nfs/dbraw/zinc/26/30/56/1290263056.db2.gz NMVDJRDKLMFZRH-VIFPVBQESA-N 0 0 338.310 2.888 10 10 EFCERN CN(C)c1ccc(CN2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000020542637 1290332626 /nfs/dbraw/zinc/33/26/26/1290332626.db2.gz AJVHJOBVOKFMTG-UHFFFAOYSA-N 0 0 344.503 2.913 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000875674013 1290607196 /nfs/dbraw/zinc/60/71/96/1290607196.db2.gz XIQVQBJZMWZGOQ-WTLGNFPFSA-N 0 0 345.487 2.547 10 10 EFCERN COc1ccc(O)c([C@H](C)Nc2nc(Cl)nc3[nH]c(=O)[nH]c32)c1 ZINC001185291078 1290640076 /nfs/dbraw/zinc/64/00/76/1290640076.db2.gz SFTBCXQYIADUJJ-LURJTMIESA-N 0 0 335.751 2.599 10 10 EFCERN Cc1cc(O)c(CN2CCN(CC(F)(F)F)C(=O)C2)cc1Cl ZINC000825892747 1290968472 /nfs/dbraw/zinc/96/84/72/1290968472.db2.gz INXRLIMYORQBIM-UHFFFAOYSA-N 0 0 336.741 2.561 10 10 EFCERN Cc1nc2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2o1 ZINC000795660172 1290993412 /nfs/dbraw/zinc/99/34/12/1290993412.db2.gz UDDXIAZZHQSCLA-UHFFFAOYSA-N 0 0 327.292 2.587 10 10 EFCERN COc1c([O-])c(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000775038554 1290995552 /nfs/dbraw/zinc/99/55/52/1290995552.db2.gz VNOVGNCLRRIHMW-SWLSCSKDSA-N 0 0 338.404 2.730 10 10 EFCERN Oc1ccc(Br)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611449 1291179405 /nfs/dbraw/zinc/17/94/05/1291179405.db2.gz AWQPXLSBRJVQAC-NSHDSACASA-N 0 0 340.139 2.654 10 10 EFCERN Cc1cc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)ccc1N(C)C ZINC001166918752 1312867086 /nfs/dbraw/zinc/86/70/86/1312867086.db2.gz RILPLOQHMAOYHC-UHFFFAOYSA-N 0 0 338.371 2.671 10 10 EFCERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1Cl ZINC000826099928 1292006485 /nfs/dbraw/zinc/00/64/85/1292006485.db2.gz JZSWJCYOSNWCHA-UKRRQHHQSA-N 0 0 329.849 2.506 10 10 EFCERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826099924 1292007359 /nfs/dbraw/zinc/00/73/59/1292007359.db2.gz JZSWJCYOSNWCHA-DZGCQCFKSA-N 0 0 329.849 2.506 10 10 EFCERN O=C(/C=C/c1cncc(O)c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000775376610 1292123502 /nfs/dbraw/zinc/12/35/02/1292123502.db2.gz GFTNYOIZPKLKGL-LZCJLJQNSA-N 0 0 339.370 2.955 10 10 EFCERN C[C@H](NC(=O)c1cc(-n2ccnc2)ccn1)c1ccc(N(C)C)cc1 ZINC000775403868 1292269388 /nfs/dbraw/zinc/26/93/88/1292269388.db2.gz LBJSATFPYCQPNQ-AWEZNQCLSA-N 0 0 335.411 2.824 10 10 EFCERN CCc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]c(C)c1C(N)=O ZINC000775405784 1292276192 /nfs/dbraw/zinc/27/61/92/1292276192.db2.gz VEEUBBPRIPELGY-NSHDSACASA-N 0 0 342.443 2.541 10 10 EFCERN Cc1cc(CN2CCNC(=O)[C@@H]2C(C)C)ccc1N1CCCCC1 ZINC001190864721 1292352658 /nfs/dbraw/zinc/35/26/58/1292352658.db2.gz KDUXOFWCZXAROI-IBGZPJMESA-N 0 0 329.488 2.942 10 10 EFCERN O=S(=O)(NCc1cc(Br)ccc1O)c1cccs1 ZINC000796191660 1292384840 /nfs/dbraw/zinc/38/48/40/1292384840.db2.gz ZFVWXECMRWLPDY-UHFFFAOYSA-N 0 0 348.243 2.695 10 10 EFCERN COCCc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775678278 1294103596 /nfs/dbraw/zinc/10/35/96/1294103596.db2.gz NYAXDVSDKQHZPJ-CYBMUJFWSA-N 0 0 345.447 2.558 10 10 EFCERN COc1cc(O)c(CNc2cccc(-c3nc[nH]n3)c2)cc1OC ZINC000775748987 1294404485 /nfs/dbraw/zinc/40/44/85/1294404485.db2.gz OBHKSKSZZABLHG-UHFFFAOYSA-N 0 0 326.356 2.807 10 10 EFCERN Cn1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2cc(F)ccc21 ZINC000796378628 1294594207 /nfs/dbraw/zinc/59/42/07/1294594207.db2.gz ZGULSXOOFOPZST-UHFFFAOYSA-N 0 0 343.310 2.768 10 10 EFCERN Oc1c(F)cc(Br)cc1CNc1n[nH]c2c1COCC2 ZINC000886202997 1294760881 /nfs/dbraw/zinc/76/08/81/1294760881.db2.gz JIEUQJFBQZZFPG-UHFFFAOYSA-N 0 0 342.168 2.702 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC000867301593 1295417666 /nfs/dbraw/zinc/41/76/66/1295417666.db2.gz BEECMEBXSXWVJV-SUMWQHHRSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000867301833 1295419884 /nfs/dbraw/zinc/41/98/84/1295419884.db2.gz FXKXZOJLWITTED-WFASDCNBSA-N 0 0 327.380 2.539 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000890030653 1295880856 /nfs/dbraw/zinc/88/08/56/1295880856.db2.gz JASZBHSWEKOXEO-LBPRGKRZSA-N 0 0 330.384 2.932 10 10 EFCERN Cc1ccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1O ZINC000924170697 1296743196 /nfs/dbraw/zinc/74/31/96/1296743196.db2.gz USJDUIKNSWWJSQ-AWEZNQCLSA-N 0 0 349.427 2.502 10 10 EFCERN Cc1cc(Cl)cc(CNc2ccc(-n3ncn(C)c3=O)cc2)c1O ZINC000777504532 1296749057 /nfs/dbraw/zinc/74/90/57/1296749057.db2.gz DFNHZVKCLTYOGQ-UHFFFAOYSA-N 0 0 344.802 2.851 10 10 EFCERN COC(=O)C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000928169733 1297084157 /nfs/dbraw/zinc/08/41/57/1297084157.db2.gz CTOKUAIIYUCHEV-MWLCHTKSSA-N 0 0 349.408 2.584 10 10 EFCERN CO[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1 ZINC000928491543 1297108579 /nfs/dbraw/zinc/10/85/79/1297108579.db2.gz ULFFLFZEJBLFQM-OAHLLOKOSA-N 0 0 339.438 2.564 10 10 EFCERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928709659 1297125669 /nfs/dbraw/zinc/12/56/69/1297125669.db2.gz KMNFFQSYWGPZAS-CYBMUJFWSA-N 0 0 338.379 2.547 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccnc1N1CCCCC1 ZINC000928710354 1297126087 /nfs/dbraw/zinc/12/60/87/1297126087.db2.gz BZQGQMLBBYGLIX-UHFFFAOYSA-N 0 0 329.375 2.847 10 10 EFCERN Cc1cnc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000929537543 1297190527 /nfs/dbraw/zinc/19/05/27/1297190527.db2.gz PDYDMWRMRZYCJW-UHFFFAOYSA-N 0 0 339.439 2.807 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000932824102 1297459430 /nfs/dbraw/zinc/45/94/30/1297459430.db2.gz HMXOAIXKXLEIMG-UHFFFAOYSA-N 0 0 349.324 2.871 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001545684055 1298121026 /nfs/dbraw/zinc/12/10/26/1298121026.db2.gz IPCDYAHKAFLEFJ-KWCYVHTRSA-N 0 0 349.427 2.946 10 10 EFCERN COC(=O)c1cncc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000776480510 1299298618 /nfs/dbraw/zinc/29/86/18/1299298618.db2.gz PYEFJJGAOAZNCT-UHFFFAOYSA-N 0 0 342.399 2.564 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCO[C@H]2CC2(F)F)cc1 ZINC000851988422 1299492667 /nfs/dbraw/zinc/49/26/67/1299492667.db2.gz YHKZUZBKMLBOOA-HNNXBMFYSA-N 0 0 341.402 2.756 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000851987344 1299493727 /nfs/dbraw/zinc/49/37/27/1299493727.db2.gz MHCDJJTYWDNYOV-LPHOPBHVSA-N 0 0 331.460 2.711 10 10 EFCERN CC1(C)CC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000851989720 1299495021 /nfs/dbraw/zinc/49/50/21/1299495021.db2.gz KORSJUIKVUGSMP-UHFFFAOYSA-N 0 0 335.423 2.650 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCOCCC(C)C)C2)cc1 ZINC000852021524 1299512110 /nfs/dbraw/zinc/51/21/10/1299512110.db2.gz ITEFLJUPFFVFHX-MRXNPFEDSA-N 0 0 349.475 2.636 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)C2CCC2)cc1F ZINC000852082184 1299541304 /nfs/dbraw/zinc/54/13/04/1299541304.db2.gz HTFIAHLUUKXKCF-INIZCTEOSA-N 0 0 337.439 2.632 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(C)(C)OC)C2)cc1 ZINC000852146666 1299564771 /nfs/dbraw/zinc/56/47/71/1299564771.db2.gz HTQIIWXMNAMRKC-HUUCEWRRSA-N 0 0 349.475 2.777 10 10 EFCERN COCCC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852254235 1299617840 /nfs/dbraw/zinc/61/78/40/1299617840.db2.gz QYUMFYVCTFXSJV-HNNXBMFYSA-N 0 0 349.475 2.636 10 10 EFCERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(F)F ZINC000852361290 1299676055 /nfs/dbraw/zinc/67/60/55/1299676055.db2.gz XIKUHQXMNMKIDN-FZMZJTMJSA-N 0 0 327.375 2.617 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000852384221 1299683742 /nfs/dbraw/zinc/68/37/42/1299683742.db2.gz AJUPZEOFRAAINS-SZMVWBNQSA-N 0 0 345.487 2.670 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CC(F)F)C2)cc1 ZINC000852392194 1299688149 /nfs/dbraw/zinc/68/81/49/1299688149.db2.gz IUKNOIMNZNELEN-OLZOCXBDSA-N 0 0 341.402 2.864 10 10 EFCERN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000852417423 1299698122 /nfs/dbraw/zinc/69/81/22/1299698122.db2.gz LRELJMZSSJBQRU-CYBMUJFWSA-N 0 0 332.473 2.518 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](C)(F)C3)C2)cc1 ZINC000852447510 1299708323 /nfs/dbraw/zinc/70/83/23/1299708323.db2.gz BNZKSDUJBAVMJG-RDTXWAMCSA-N 0 0 335.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCSC[C@H](C)C3)C2)cc1 ZINC000852451408 1299709008 /nfs/dbraw/zinc/70/90/08/1299709008.db2.gz JZXPNBUNVFOKAN-HUUCEWRRSA-N 0 0 349.500 2.668 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCSC[C@@H](C)C3)C2)cc1 ZINC000852451407 1299709851 /nfs/dbraw/zinc/70/98/51/1299709851.db2.gz JZXPNBUNVFOKAN-GJZGRUSLSA-N 0 0 349.500 2.668 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccoc3)C2)cc1 ZINC000852454444 1299710206 /nfs/dbraw/zinc/71/02/06/1299710206.db2.gz PMGVOSIYCPQFQP-HNNXBMFYSA-N 0 0 329.400 2.709 10 10 EFCERN CC[C@H](COCC1CC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852466787 1299714877 /nfs/dbraw/zinc/71/48/77/1299714877.db2.gz VWCIFUOBUCECNL-TZMCWYRMSA-N 0 0 336.432 2.966 10 10 EFCERN C[C@]1(CNC(=O)NCc2cccc(Br)c2O)CC1(F)F ZINC000852582291 1299770065 /nfs/dbraw/zinc/77/00/65/1299770065.db2.gz SPNCYPJFUJLSOO-GFCCVEGCSA-N 0 0 349.175 2.999 10 10 EFCERN COc1ccnc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1F ZINC000852588787 1299773570 /nfs/dbraw/zinc/77/35/70/1299773570.db2.gz AFEHSVYDDSEMCW-UHFFFAOYSA-N 0 0 346.406 2.603 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCCC2SCCS2)cc1 ZINC000852679133 1299809658 /nfs/dbraw/zinc/80/96/58/1299809658.db2.gz VHOZVOWOZAPRNY-UHFFFAOYSA-N 0 0 325.503 2.748 10 10 EFCERN CN1CCCc2cc(CNC(=O)NC[C@H]3CCOC3(C)C)ccc21 ZINC000852686755 1299812897 /nfs/dbraw/zinc/81/28/97/1299812897.db2.gz KWVDPRQCBKMKJL-MRXNPFEDSA-N 0 0 331.460 2.683 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(C)(C)n2cc(N)cn2)cc1F ZINC000852867074 1299921178 /nfs/dbraw/zinc/92/11/78/1299921178.db2.gz QFVFIRCMHSPHGA-UHFFFAOYSA-N 0 0 347.438 2.502 10 10 EFCERN COC[C@H](COC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC000853135249 1300020643 /nfs/dbraw/zinc/02/06/43/1300020643.db2.gz VEBOGIKOUOSZDH-GOSISDBHSA-N 0 0 331.412 2.841 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@H]1CCC(=O)NC1 ZINC000853140150 1300021924 /nfs/dbraw/zinc/02/19/24/1300021924.db2.gz FPBJRCOZHVSPFJ-CYBMUJFWSA-N 0 0 332.425 2.839 10 10 EFCERN CC[C@](C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000853475053 1300127402 /nfs/dbraw/zinc/12/74/02/1300127402.db2.gz XQWGZKHAJOLHPL-IBGZPJMESA-N 0 0 331.460 2.901 10 10 EFCERN CC(NC(=O)NCc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 ZINC000853475069 1300127589 /nfs/dbraw/zinc/12/75/89/1300127589.db2.gz YAHBQQGDDMJNFR-UHFFFAOYSA-N 0 0 343.471 2.901 10 10 EFCERN COc1cc(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853632308 1300203183 /nfs/dbraw/zinc/20/31/83/1300203183.db2.gz UMLZVKKPRRLPHO-MGPLVRAMSA-N 0 0 331.359 2.654 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N3CC4CC3(C)C4)CC2)cc1 ZINC000853643048 1300210168 /nfs/dbraw/zinc/21/01/68/1300210168.db2.gz CTBLCWMJBDTMNY-UHFFFAOYSA-N 0 0 329.444 2.858 10 10 EFCERN COC(=O)c1nc(N[C@H]2CCN(c3ccc(OC)cc3)C2)sc1C ZINC000853758610 1300260304 /nfs/dbraw/zinc/26/03/04/1300260304.db2.gz IHYGMZOEEVAHFG-LBPRGKRZSA-N 0 0 347.440 2.938 10 10 EFCERN CNc1c(Cl)ncnc1N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853758579 1300260556 /nfs/dbraw/zinc/26/05/56/1300260556.db2.gz HSPRVAOZEBPZFO-NSHDSACASA-N 0 0 333.823 2.871 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3cc(N)ccc3[N+](=O)[O-])C2)cc1 ZINC000853758347 1300260999 /nfs/dbraw/zinc/26/09/99/1300260999.db2.gz CNKVLSRVUBAHHB-ZDUSSCGKSA-N 0 0 328.372 2.876 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nn4cc(C)nc4s3)C2)cc1 ZINC000853758226 1300261191 /nfs/dbraw/zinc/26/11/91/1300261191.db2.gz BOIZWMFVNTZQSH-GFCCVEGCSA-N 0 0 329.429 2.799 10 10 EFCERN CCOC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853759534 1300261797 /nfs/dbraw/zinc/26/17/97/1300261797.db2.gz VWWSTXFCQSQJAM-HNNXBMFYSA-N 0 0 341.411 2.958 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc([C@H](C)OC)ns3)C2)cc1 ZINC000853760364 1300261923 /nfs/dbraw/zinc/26/19/23/1300261923.db2.gz KBIDCBVZVXUIRR-NWDGAFQWSA-N 0 0 334.445 2.945 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC000853759468 1300262734 /nfs/dbraw/zinc/26/27/34/1300262734.db2.gz UZZWVIVIBWNEIT-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nnc(-c4ccon4)s3)C2)cc1 ZINC000853761200 1300264241 /nfs/dbraw/zinc/26/42/41/1300264241.db2.gz QZKYMXRSXKFUNU-LLVKDONJSA-N 0 0 343.412 2.893 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000853813113 1300288327 /nfs/dbraw/zinc/28/83/27/1300288327.db2.gz SCAJOXNGYQHSDA-CSIFZYERSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C)nc3)C2)cc1 ZINC000853817629 1300291355 /nfs/dbraw/zinc/29/13/55/1300291355.db2.gz IIWKJTQRMFRVOD-HNNXBMFYSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3nc(C)c(C)o3)C2)cc1 ZINC000853818337 1300293440 /nfs/dbraw/zinc/29/34/40/1300293440.db2.gz VSANVMFTXLXKGM-ZDUSSCGKSA-N 0 0 330.388 2.700 10 10 EFCERN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000853858822 1300313271 /nfs/dbraw/zinc/31/32/71/1300313271.db2.gz QCPJDUQKASSXMJ-NEPJUHHUSA-N 0 0 329.491 2.834 10 10 EFCERN Cc1cc(CC(=O)OC[C@@H](O)COC(C)C)c(C)n1-c1ccccc1 ZINC000853934211 1300349730 /nfs/dbraw/zinc/34/97/30/1300349730.db2.gz OWTXRVMIJLRJMG-IBGZPJMESA-N 0 0 345.439 2.966 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCOc3ccc(O)cc3C2)cc1OC ZINC000853953801 1300360943 /nfs/dbraw/zinc/36/09/43/1300360943.db2.gz OSYNIDILXFHALX-UHFFFAOYSA-N 0 0 346.339 2.717 10 10 EFCERN COc1nc(C)nc(NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000853955230 1300362917 /nfs/dbraw/zinc/36/29/17/1300362917.db2.gz JQBRWQPFZLUKRU-UHFFFAOYSA-N 0 0 342.443 2.675 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853999872 1300383749 /nfs/dbraw/zinc/38/37/49/1300383749.db2.gz QTPZPLIRAKDNLF-PSLIRLAXSA-N 0 0 346.330 2.861 10 10 EFCERN C[C@@H](NC(=O)N1CCC[C@](O)(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000854002996 1300384446 /nfs/dbraw/zinc/38/44/46/1300384446.db2.gz FCXNXVJSRNMRTN-AUUYWEPGSA-N 0 0 331.460 2.760 10 10 EFCERN Cc1cc(CC(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000854177061 1300462064 /nfs/dbraw/zinc/46/20/64/1300462064.db2.gz BQSZEEZJEQMGBZ-UHFFFAOYSA-N 0 0 325.456 2.801 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000854177508 1300462914 /nfs/dbraw/zinc/46/29/14/1300462914.db2.gz XZHFZNAWBMGZFN-WBAXXEDZSA-N 0 0 345.487 2.595 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc4cccnc4n3)CC2)cc1 ZINC000854197915 1300468241 /nfs/dbraw/zinc/46/82/41/1300468241.db2.gz ABOSEIAEJLUGBW-UHFFFAOYSA-N 0 0 348.406 2.601 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)cc1 ZINC000854198667 1300468514 /nfs/dbraw/zinc/46/85/14/1300468514.db2.gz NNTLPKHUYSVKRI-UHFFFAOYSA-N 0 0 341.411 2.524 10 10 EFCERN COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000854239101 1300482320 /nfs/dbraw/zinc/48/23/20/1300482320.db2.gz AZBSCSIHYWDEJW-MRXNPFEDSA-N 0 0 326.396 2.762 10 10 EFCERN COc1cc(Br)cc(C[NH2+]CC2(C(=O)[O-])CCC2)c1O ZINC000854244896 1300484764 /nfs/dbraw/zinc/48/47/64/1300484764.db2.gz XCFWBQMOLHPUSV-UHFFFAOYSA-N 0 0 344.205 2.508 10 10 EFCERN O=C([O-])[C@H](C[NH2+]Cc1cc(Br)ccc1O)C1CCC1 ZINC000854247965 1300486473 /nfs/dbraw/zinc/48/64/73/1300486473.db2.gz LLEQBXGWSDMFCA-GFCCVEGCSA-N 0 0 328.206 2.745 10 10 EFCERN CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000854271567 1300497807 /nfs/dbraw/zinc/49/78/07/1300497807.db2.gz LNFNDFNQDMLFFS-AWEZNQCLSA-N 0 0 331.382 2.545 10 10 EFCERN CN(C)c1ccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000854271760 1300497835 /nfs/dbraw/zinc/49/78/35/1300497835.db2.gz QFGXSTQGJLFDJQ-UHFFFAOYSA-N 0 0 347.459 2.816 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC3(C4CCC4)CC3)C2)cc1 ZINC000854296588 1300504989 /nfs/dbraw/zinc/50/49/89/1300504989.db2.gz KICQVHOKUYHWTD-OAHLLOKOSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(CC(C)(C)C)OC)C2)cc1 ZINC000854298075 1300505383 /nfs/dbraw/zinc/50/53/83/1300505383.db2.gz VMHLOTVKAQTCOF-AWEZNQCLSA-N 0 0 335.448 2.893 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C[C@H](C)OC)C(C)C)C2)cc1 ZINC000854299937 1300506071 /nfs/dbraw/zinc/50/60/71/1300506071.db2.gz MKXHPUHGUGWJPH-JKSUJKDBSA-N 0 0 349.475 2.729 10 10 EFCERN COC(=O)CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854302112 1300506312 /nfs/dbraw/zinc/50/63/12/1300506312.db2.gz IFAMAPVNESCREA-UHFFFAOYSA-N 0 0 328.412 2.706 10 10 EFCERN Cc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000854389010 1300544786 /nfs/dbraw/zinc/54/47/86/1300544786.db2.gz ALIWBQCXCBRYGG-UHFFFAOYSA-N 0 0 336.439 2.995 10 10 EFCERN CCc1ccc(CC(=O)NCc2cc(Br)ccc2O)nc1 ZINC000854442333 1300569349 /nfs/dbraw/zinc/56/93/49/1300569349.db2.gz OOBAPCJEFQKVPR-UHFFFAOYSA-N 0 0 349.228 2.971 10 10 EFCERN CC1(C)CN(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854512701 1300601910 /nfs/dbraw/zinc/60/19/10/1300601910.db2.gz CKOJTLDEDHCDOU-UHFFFAOYSA-N 0 0 335.411 2.677 10 10 EFCERN CN1c2ccccc2C(=O)N[C@H]1/C=C\c1cn(Cc2ccccc2)nn1 ZINC000254821082 1300610678 /nfs/dbraw/zinc/61/06/78/1300610678.db2.gz CHLDBJHABNHAMM-YAINUAMHSA-N 0 0 345.406 2.546 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)c(O)c1O ZINC000854835637 1300705974 /nfs/dbraw/zinc/70/59/74/1300705974.db2.gz HAHFUUGBFNXJPN-OAHLLOKOSA-N 0 0 325.364 2.894 10 10 EFCERN Cc1cc(CC(=O)N[C@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000854944857 1300745221 /nfs/dbraw/zinc/74/52/21/1300745221.db2.gz ZGYDISRWZKXDIJ-OAHLLOKOSA-N 0 0 341.455 2.666 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000854947629 1300745547 /nfs/dbraw/zinc/74/55/47/1300745547.db2.gz BZEYCNJGFDXOJG-HOCLYGCPSA-N 0 0 340.471 2.636 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000854947630 1300745621 /nfs/dbraw/zinc/74/56/21/1300745621.db2.gz BZEYCNJGFDXOJG-ZBFHGGJFSA-N 0 0 340.471 2.636 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000854947627 1300746367 /nfs/dbraw/zinc/74/63/67/1300746367.db2.gz BZEYCNJGFDXOJG-GDBMZVCRSA-N 0 0 340.471 2.636 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)[C@H]3CCCO3)C2)cc1 ZINC000854980456 1300755105 /nfs/dbraw/zinc/75/51/05/1300755105.db2.gz BMOLPESBZAUUDE-GPMSIDNRSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000855223221 1300845195 /nfs/dbraw/zinc/84/51/95/1300845195.db2.gz CZACCWDONZTKHA-AWEZNQCLSA-N 0 0 348.443 2.512 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C\c3ccccn3)C2)cc1 ZINC000855223305 1300845415 /nfs/dbraw/zinc/84/54/15/1300845415.db2.gz GLPXIMNCMVCFBK-REZBVGGZSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCCOC(C)(C)C)C2)cc1 ZINC000855224772 1300846581 /nfs/dbraw/zinc/84/65/81/1300846581.db2.gz LAISEUXEUNUNFT-HNNXBMFYSA-N 0 0 334.460 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nsc3C)C2)cc1 ZINC000855223980 1300847019 /nfs/dbraw/zinc/84/70/19/1300847019.db2.gz DGSABTYZAGHEIO-CYBMUJFWSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)C3CCCCC3)C2)cc1 ZINC000855224417 1300847036 /nfs/dbraw/zinc/84/70/36/1300847036.db2.gz FYAWHPMQKVIYTI-LPHOPBHVSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4cccnc4n3)C2)cc1 ZINC000855223945 1300847122 /nfs/dbraw/zinc/84/71/22/1300847122.db2.gz JKNAIZICLVNEGJ-OAHLLOKOSA-N 0 0 348.406 2.647 10 10 EFCERN CCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000855224587 1300847850 /nfs/dbraw/zinc/84/78/50/1300847850.db2.gz GDKHDEZSYMWBMN-OAHLLOKOSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)n3)C2)cc1 ZINC000855226422 1300848193 /nfs/dbraw/zinc/84/81/93/1300848193.db2.gz RWEUSTFBSDJDEJ-OAHLLOKOSA-N 0 0 325.412 2.716 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(Cl)cs3)C2)cc1 ZINC000855227628 1300848844 /nfs/dbraw/zinc/84/88/44/1300848844.db2.gz ZMJKZNRCYJFVFE-SNVBAGLBSA-N 0 0 337.832 2.814 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C\c3ccncc3)C2)cc1 ZINC000855226498 1300849011 /nfs/dbraw/zinc/84/90/11/1300849011.db2.gz SQMKERIGFAMCPI-AKMXKPQHSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)cc1 ZINC000855226970 1300849132 /nfs/dbraw/zinc/84/91/32/1300849132.db2.gz RRDKIRPESGQXNS-QRWLVFNGSA-N 0 0 346.471 2.721 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cc(C)n3)C2)cc1 ZINC000855227437 1300849284 /nfs/dbraw/zinc/84/92/84/1300849284.db2.gz YXBZCXXLVAMXTA-HNNXBMFYSA-N 0 0 325.412 2.716 10 10 EFCERN CCc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000855227553 1300849551 /nfs/dbraw/zinc/84/95/51/1300849551.db2.gz XTSHQHXBSLDVHS-QGZVFWFLSA-N 0 0 339.439 2.590 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4cnccc4c3)C2)cc1 ZINC000855226807 1300849654 /nfs/dbraw/zinc/84/96/54/1300849654.db2.gz SGWONEZYOVRYHS-INIZCTEOSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCOc3ccccc3)C2)cc1 ZINC000855230475 1300849987 /nfs/dbraw/zinc/84/99/87/1300849987.db2.gz WPEVGFBSYXUNFX-INIZCTEOSA-N 0 0 340.423 2.859 10 10 EFCERN COCc1ccccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230863 1300850991 /nfs/dbraw/zinc/85/09/91/1300850991.db2.gz FUYPBLFDULEGHT-INIZCTEOSA-N 0 0 340.423 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)c3cccnc3)C2)cc1 ZINC000855230695 1300851127 /nfs/dbraw/zinc/85/11/27/1300851127.db2.gz HZGNVFDLZOYBIL-RDJZCZTQSA-N 0 0 339.439 2.979 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(SC)c3)C2)cc1 ZINC000855229783 1300851503 /nfs/dbraw/zinc/85/15/03/1300851503.db2.gz MEYIBDBFJNEVBE-CQSZACIVSA-N 0 0 343.452 2.821 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)cc3F)C2)cc1 ZINC000855229755 1300851549 /nfs/dbraw/zinc/85/15/49/1300851549.db2.gz QCSSNAYGZDSBQG-ZDUSSCGKSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)cn3)C2)cc1 ZINC000855229545 1300851628 /nfs/dbraw/zinc/85/16/28/1300851628.db2.gz AHPLMGJUMAKFMF-CYBMUJFWSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000855230244 1300851647 /nfs/dbraw/zinc/85/16/47/1300851647.db2.gz DOFSPDQSYOANLL-OAHLLOKOSA-N 0 0 338.407 2.907 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@H]3CCC[C@H](C)C3)C2)cc1 ZINC000855229579 1300851703 /nfs/dbraw/zinc/85/17/03/1300851703.db2.gz BABIYETXTJGESY-BXWFABGCSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)ccc3F)C2)cc1 ZINC000855229807 1300851726 /nfs/dbraw/zinc/85/17/26/1300851726.db2.gz QTDKAEDRAVMQJQ-CYBMUJFWSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3scnc3Cl)C2)cc1 ZINC000855231310 1300852096 /nfs/dbraw/zinc/85/20/96/1300852096.db2.gz JUMNDIBWXGTOJS-SNVBAGLBSA-N 0 0 337.832 2.814 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000855232171 1300852114 /nfs/dbraw/zinc/85/21/14/1300852114.db2.gz OTKFLVSVIHVNNY-GWCFXTLKSA-N 0 0 329.227 2.584 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3cccnc3)C2)cc1 ZINC000855231106 1300852160 /nfs/dbraw/zinc/85/21/60/1300852160.db2.gz JUIOVKDOLKLQAB-ZBFHGGJFSA-N 0 0 325.412 2.589 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000855232174 1300852605 /nfs/dbraw/zinc/85/26/05/1300852605.db2.gz OTKFLVSVIHVNNY-ZWNOBZJWSA-N 0 0 329.227 2.584 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(O)c3)C2)cc1 ZINC000855231790 1300852829 /nfs/dbraw/zinc/85/28/29/1300852829.db2.gz MCOPIKKLPZJVEG-OAHLLOKOSA-N 0 0 326.396 2.718 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)(C)C)on3)C2)cc1 ZINC000855231134 1300853110 /nfs/dbraw/zinc/85/31/10/1300853110.db2.gz KPKPXNLQDMWRHB-ZDUSSCGKSA-N 0 0 343.427 2.989 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000855232701 1300853142 /nfs/dbraw/zinc/85/31/42/1300853142.db2.gz SRUXKXQAJNGWEL-HNNXBMFYSA-N 0 0 342.443 2.655 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)cc3F)C2)cc1 ZINC000855234842 1300854223 /nfs/dbraw/zinc/85/42/23/1300854223.db2.gz OBFKCXGPEMAFLH-ZDUSSCGKSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000855235159 1300854543 /nfs/dbraw/zinc/85/45/43/1300854543.db2.gz ZRTSLDLROAWCHX-AWEZNQCLSA-N 0 0 341.367 2.612 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000855234984 1300855236 /nfs/dbraw/zinc/85/52/36/1300855236.db2.gz SOJUCGSOIGQYIB-INIZCTEOSA-N 0 0 328.387 2.772 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000855234498 1300855496 /nfs/dbraw/zinc/85/54/96/1300855496.db2.gz BKZVLGKSSWBBDU-AWEZNQCLSA-N 0 0 341.367 2.612 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000855446780 1300961535 /nfs/dbraw/zinc/96/15/35/1300961535.db2.gz CTOGKMFGXOJEFJ-ZDUSSCGKSA-N 0 0 340.395 2.998 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000795396227 1300963048 /nfs/dbraw/zinc/96/30/48/1300963048.db2.gz GKQKHCGSQCAPNU-MSOLQXFVSA-N 0 0 332.444 2.549 10 10 EFCERN CCc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)o1 ZINC000795399239 1301000413 /nfs/dbraw/zinc/00/04/13/1301000413.db2.gz YVKCVGFQBMUOEP-UHFFFAOYSA-N 0 0 343.427 2.907 10 10 EFCERN Cc1cc(CC(=O)N(C)Cc2nnc(C)o2)c(C)n1-c1ccccc1 ZINC000855569487 1301020577 /nfs/dbraw/zinc/02/05/77/1301020577.db2.gz YRQCZEZNIDAUJI-UHFFFAOYSA-N 0 0 338.411 2.987 10 10 EFCERN COC(=O)N(C)CCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000855891537 1301160543 /nfs/dbraw/zinc/16/05/43/1301160543.db2.gz COWTYESBKDJFRQ-UHFFFAOYSA-N 0 0 343.427 2.864 10 10 EFCERN Cc1ccc(O)c(CNS(=O)(=O)C[C@H](C)CC(F)(F)F)c1 ZINC001331364912 1330827863 /nfs/dbraw/zinc/82/78/63/1330827863.db2.gz RALUUFIRMIVRQP-SNVBAGLBSA-N 0 0 325.352 2.709 10 10 EFCERN COc1ccc(N2CCN(Cc3cc(Cl)n(C)n3)CC2)cc1F ZINC000859162109 1301393985 /nfs/dbraw/zinc/39/39/85/1301393985.db2.gz WKBCLARBJTWLEA-UHFFFAOYSA-N 0 0 338.814 2.543 10 10 EFCERN COCc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1OC ZINC000859762423 1301570434 /nfs/dbraw/zinc/57/04/34/1301570434.db2.gz DHDLUSQCUZZSTF-UHFFFAOYSA-N 0 0 329.400 2.788 10 10 EFCERN CC[C@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OC ZINC000859956192 1301651011 /nfs/dbraw/zinc/65/10/11/1301651011.db2.gz FJRSDBLNADXUSC-INIZCTEOSA-N 0 0 342.395 2.588 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000860048052 1301684719 /nfs/dbraw/zinc/68/47/19/1301684719.db2.gz PXKRNNALEUIEOY-UHFFFAOYSA-N 0 0 348.443 2.996 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](O)C(C)C)cc1 ZINC000860089219 1301695968 /nfs/dbraw/zinc/69/59/68/1301695968.db2.gz BVYVDCPPGSIHHW-LJQANCHMSA-N 0 0 342.439 2.582 10 10 EFCERN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860697437 1301890196 /nfs/dbraw/zinc/89/01/96/1301890196.db2.gz WLYMUVBBAKSHRZ-SJCJKPOMSA-N 0 0 341.407 2.884 10 10 EFCERN C[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000860949953 1301972032 /nfs/dbraw/zinc/97/20/32/1301972032.db2.gz GSUZKRGPDRUERZ-CQSZACIVSA-N 0 0 342.443 2.792 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)ccc1C ZINC000862007599 1302265101 /nfs/dbraw/zinc/26/51/01/1302265101.db2.gz AGQGASIFFHJGIC-MSEWRSJXSA-N 0 0 340.423 2.858 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC12CC2 ZINC000862039612 1302269082 /nfs/dbraw/zinc/26/90/82/1302269082.db2.gz IKBIMCJVQAVDOM-HNNXBMFYSA-N 0 0 331.412 2.864 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000862158403 1302301579 /nfs/dbraw/zinc/30/15/79/1302301579.db2.gz GOBRBKLKDJZLAT-LLVKDONJSA-N 0 0 348.834 2.643 10 10 EFCERN COc1ccc(N2CCN(Cc3ccnc(F)c3C)CC2)cc1F ZINC000862251345 1302321519 /nfs/dbraw/zinc/32/15/19/1302321519.db2.gz AZUIYWAFQOJXEB-UHFFFAOYSA-N 0 0 333.382 2.999 10 10 EFCERN CO[C@H](C)c1noc(CN(C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862252116 1302323789 /nfs/dbraw/zinc/32/37/89/1302323789.db2.gz QQOXTGHEJCXDJC-SNVBAGLBSA-N 0 0 340.374 2.753 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(Cl)ccc1O ZINC000862474497 1302392595 /nfs/dbraw/zinc/39/25/95/1302392595.db2.gz MNEDMEJEJIBLQB-INIZCTEOSA-N 0 0 349.814 2.928 10 10 EFCERN COc1c([O-])c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000862486062 1302399295 /nfs/dbraw/zinc/39/92/95/1302399295.db2.gz UCKGWDJTGWQDMN-QGZVFWFLSA-N 0 0 338.404 2.730 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000862649812 1302432778 /nfs/dbraw/zinc/43/27/78/1302432778.db2.gz HCZGYFFBSYLAJB-QZTJIDSGSA-N 0 0 346.402 2.503 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000863505833 1302636186 /nfs/dbraw/zinc/63/61/86/1302636186.db2.gz RNPJJRCUNUJTFO-SJKOYZFVSA-N 0 0 339.395 2.968 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](C[C@H]2CCCOC2)C1=O ZINC000863505497 1302636973 /nfs/dbraw/zinc/63/69/73/1302636973.db2.gz NGUTVROTKJBLSK-CPUCHLNUSA-N 0 0 345.443 2.551 10 10 EFCERN Cc1cc(CCNC(=O)Cc2cncnc2)c(C)n1-c1ccccc1 ZINC000863834917 1302738197 /nfs/dbraw/zinc/73/81/97/1302738197.db2.gz OJJSHZAAKLQFHA-UHFFFAOYSA-N 0 0 334.423 2.786 10 10 EFCERN Cn1nc2c(c1/C=C1/SC(N3CCCCC3)=NC1=O)CCCC2 ZINC000864365470 1302904226 /nfs/dbraw/zinc/90/42/26/1302904226.db2.gz VALIDQXPDWEEMY-RVDMUPIBSA-N 0 0 330.457 2.755 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(F)c(C=O)c3)CC2)cc1 ZINC000864470177 1302943386 /nfs/dbraw/zinc/94/33/86/1302943386.db2.gz DZUAEFKRYIJGEA-UHFFFAOYSA-N 0 0 342.370 2.609 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)Cc2cn3cc(F)ccc3n2)cc1 ZINC000864635038 1303007864 /nfs/dbraw/zinc/00/78/64/1303007864.db2.gz XPAHLLMOCBZPIM-UHFFFAOYSA-N 0 0 340.402 2.741 10 10 EFCERN O=C(CSCC(=O)Nc1ccc(F)cc1)NCc1ccccc1O ZINC000748354184 1313883830 /nfs/dbraw/zinc/88/38/30/1313883830.db2.gz GPVCHKDLSBDTHD-UHFFFAOYSA-N 0 0 348.399 2.519 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)O1 ZINC000864919225 1303082345 /nfs/dbraw/zinc/08/23/45/1303082345.db2.gz RNGQJNFIRHGUSX-CPUCHLNUSA-N 0 0 334.485 2.670 10 10 EFCERN CCO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000864984312 1303110986 /nfs/dbraw/zinc/11/09/86/1303110986.db2.gz NIIVWAXGXOGMKU-LJQANCHMSA-N 0 0 346.471 2.735 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn(C2CC2)c1=O ZINC000865027505 1303126568 /nfs/dbraw/zinc/12/65/68/1303126568.db2.gz SHSSDLCBWLHBGZ-UHFFFAOYSA-N 0 0 339.439 2.912 10 10 EFCERN CCO[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000865027157 1303126708 /nfs/dbraw/zinc/12/67/08/1303126708.db2.gz IPBYZUMAYWUPBC-LJQANCHMSA-N 0 0 348.487 2.933 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(OC)cc1F ZINC000865027666 1303126933 /nfs/dbraw/zinc/12/69/33/1303126933.db2.gz ZKKAPVDGNHGATQ-UHFFFAOYSA-N 0 0 331.391 2.958 10 10 EFCERN C[C@@H](O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000865417779 1303247495 /nfs/dbraw/zinc/24/74/95/1303247495.db2.gz CNRHZDRRUXXNLR-OAHLLOKOSA-N 0 0 327.428 2.608 10 10 EFCERN CCn1cnc2c1nc(Cl)nc2N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000865667787 1303359326 /nfs/dbraw/zinc/35/93/26/1303359326.db2.gz UCKUKHVTWFWWIS-SECBINFHSA-N 0 0 347.806 2.954 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865694680 1303368565 /nfs/dbraw/zinc/36/85/65/1303368565.db2.gz KEKFPAOEZWDUIQ-QAEGUCOOSA-N 0 0 338.245 2.976 10 10 EFCERN C[C@@H](O)c1ccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1 ZINC000865868776 1303433763 /nfs/dbraw/zinc/43/37/63/1303433763.db2.gz XIPQSCZEIKGLCS-GFCCVEGCSA-N 0 0 349.381 2.862 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953214 1303466964 /nfs/dbraw/zinc/46/69/64/1303466964.db2.gz DWCPLGAMUJJFCZ-YGBSJELFSA-N 0 0 342.483 2.804 10 10 EFCERN COc1ccc(N2CCN(c3ncc(SC)cn3)CC2)c(OC)c1 ZINC000866137530 1303539932 /nfs/dbraw/zinc/53/99/32/1303539932.db2.gz BCOIFICDTNHHHA-UHFFFAOYSA-N 0 0 346.456 2.542 10 10 EFCERN CCOC1CC2(C[C@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000866207439 1303562589 /nfs/dbraw/zinc/56/25/89/1303562589.db2.gz PGFIVUGFDHFRPX-HVEKOLDVSA-N 0 0 330.428 2.683 10 10 EFCERN C[C@@H]1C[C@H](NCc2nnc(C3CCOCC3)[nH]2)c2c1c(F)ccc2O ZINC000866441508 1303639668 /nfs/dbraw/zinc/63/96/68/1303639668.db2.gz LNBQNVIQGYBECA-MFKMUULPSA-N 0 0 346.406 2.882 10 10 EFCERN C[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866441545 1303641365 /nfs/dbraw/zinc/64/13/65/1303641365.db2.gz MPPZUWOYQSDURA-SNVBAGLBSA-N 0 0 336.823 2.909 10 10 EFCERN C[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000866441731 1303641458 /nfs/dbraw/zinc/64/14/58/1303641458.db2.gz SISUDOWYXMWTCS-ZDUSSCGKSA-N 0 0 329.448 2.616 10 10 EFCERN O=S(=O)(C[C@@H]1CCC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000866484762 1303657604 /nfs/dbraw/zinc/65/76/04/1303657604.db2.gz CWYIRABQCCARHY-AWEZNQCLSA-N 0 0 344.427 2.752 10 10 EFCERN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866496127 1303663491 /nfs/dbraw/zinc/66/34/91/1303663491.db2.gz LYXRMXCMVYVDIT-JTQLQIEISA-N 0 0 338.333 2.740 10 10 EFCERN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866530458 1303674403 /nfs/dbraw/zinc/67/44/03/1303674403.db2.gz BBCGZDSTONKMKQ-TZMCWYRMSA-N 0 0 336.388 2.537 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000866757422 1303781449 /nfs/dbraw/zinc/78/14/49/1303781449.db2.gz UAAULMLBRGWOLH-APWZRJJASA-N 0 0 341.407 2.547 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccn(C(C)(C)C)c2=O)c1 ZINC000866763066 1303783528 /nfs/dbraw/zinc/78/35/28/1303783528.db2.gz CEQDFDQMRSVFPK-LBPRGKRZSA-N 0 0 344.411 2.809 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2cn[nH]c2)cn1 ZINC000866771949 1303786261 /nfs/dbraw/zinc/78/62/61/1303786261.db2.gz ZQCIBYQVGWGEEI-UHFFFAOYSA-N 0 0 348.406 2.986 10 10 EFCERN COc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)c(F)c1 ZINC000866770768 1303786713 /nfs/dbraw/zinc/78/67/13/1303786713.db2.gz DKHDHKUMSJMEIK-UHFFFAOYSA-N 0 0 330.359 2.744 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)OCCC(F)(F)F)C2)cc1 ZINC000867497178 1303834896 /nfs/dbraw/zinc/83/48/96/1303834896.db2.gz NURWWHVLAZJVEX-LLVKDONJSA-N 0 0 332.322 2.953 10 10 EFCERN CCO[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000867503326 1303836493 /nfs/dbraw/zinc/83/64/93/1303836493.db2.gz JZLSUXABGOSUEH-KBXCAEBGSA-N 0 0 334.460 2.762 10 10 EFCERN C[C@@H](NC(=O)/C=C/COC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502925 1303837028 /nfs/dbraw/zinc/83/70/28/1303837028.db2.gz FMDGKWGIFUWTMQ-MBVDDHJVSA-N 0 0 332.444 2.682 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)OCCC(F)(F)F ZINC000867532127 1303848428 /nfs/dbraw/zinc/84/84/28/1303848428.db2.gz RBQAWMNGIBRBEF-UHFFFAOYSA-N 0 0 346.349 2.826 10 10 EFCERN COc1cc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000867688525 1303910882 /nfs/dbraw/zinc/91/08/82/1303910882.db2.gz DOOYXBRFPISSHK-UHFFFAOYSA-N 0 0 333.409 2.722 10 10 EFCERN O=C(NCc1cccc(Br)c1O)C1CC2(CSC2)C1 ZINC000867830758 1303975495 /nfs/dbraw/zinc/97/54/95/1303975495.db2.gz IARSSEZYYYWWGV-UHFFFAOYSA-N 0 0 342.258 2.914 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1ccccc1O ZINC000867834936 1303978027 /nfs/dbraw/zinc/97/80/27/1303978027.db2.gz VUZPCGBSMAZLCC-ZDUSSCGKSA-N 0 0 346.452 2.814 10 10 EFCERN C[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccccc1O ZINC000867833797 1303978286 /nfs/dbraw/zinc/97/82/86/1303978286.db2.gz AXEZOWNUHNGUIO-ZDUSSCGKSA-N 0 0 347.436 2.550 10 10 EFCERN C[C@H](NS(=O)(=O)CCOCc1ccccc1)c1ccccc1O ZINC000867836294 1303978758 /nfs/dbraw/zinc/97/87/58/1303978758.db2.gz MZAQKIPGCVBRAC-AWEZNQCLSA-N 0 0 335.425 2.589 10 10 EFCERN C[C@H](NS(=O)(=O)CCc1c(F)cccc1F)c1ccccc1O ZINC000867836260 1303979146 /nfs/dbraw/zinc/97/91/46/1303979146.db2.gz LNOBZROENOQALR-NSHDSACASA-N 0 0 341.379 2.894 10 10 EFCERN CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000867836226 1303979372 /nfs/dbraw/zinc/97/93/72/1303979372.db2.gz KBURMLAMDABRGP-GUYCJALGSA-N 0 0 341.473 2.968 10 10 EFCERN COC(=O)c1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868007201 1304073143 /nfs/dbraw/zinc/07/31/43/1304073143.db2.gz IAPHAOUOKJKWLM-ZDUSSCGKSA-N 0 0 342.395 2.782 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)[C@H](OCC)[C@H]1CCOC1 ZINC000868110297 1304131714 /nfs/dbraw/zinc/13/17/14/1304131714.db2.gz YFNRMCIFEWXQRG-FUHWJXTLSA-N 0 0 335.444 2.963 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCn2nccc21 ZINC000868113667 1304133650 /nfs/dbraw/zinc/13/36/50/1304133650.db2.gz XTPMZVZDGDEHJR-KRWDZBQOSA-N 0 0 339.443 2.818 10 10 EFCERN C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868170474 1304168553 /nfs/dbraw/zinc/16/85/53/1304168553.db2.gz JENCIPDYDXGQIT-UGSOOPFHSA-N 0 0 341.411 2.936 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)cc(N)c3)C2)cc1 ZINC000868193408 1304180366 /nfs/dbraw/zinc/18/03/66/1304180366.db2.gz YPXXMRWHJQVYBP-OAHLLOKOSA-N 0 0 340.427 2.986 10 10 EFCERN Cc1cc(N)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000868194302 1304181536 /nfs/dbraw/zinc/18/15/36/1304181536.db2.gz PHBQXDQMSPSICI-UHFFFAOYSA-N 0 0 340.427 2.736 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868313914 1304237563 /nfs/dbraw/zinc/23/75/63/1304237563.db2.gz DWYUYBMRJRRYAA-NEPJUHHUSA-N 0 0 330.432 2.734 10 10 EFCERN C[C@H](NC(=O)NCc1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000868411497 1304284169 /nfs/dbraw/zinc/28/41/69/1304284169.db2.gz SBVWGYMSRMDIPS-JTQLQIEISA-N 0 0 342.321 2.711 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000868413511 1304285071 /nfs/dbraw/zinc/28/50/71/1304285071.db2.gz UVWIETPCEQOJLV-XJKSGUPXSA-N 0 0 345.443 2.686 10 10 EFCERN COCC[C@@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868493558 1304322557 /nfs/dbraw/zinc/32/25/57/1304322557.db2.gz SQYIYTOKDWZFAN-KBPBESRZSA-N 0 0 332.400 2.993 10 10 EFCERN C[C@H](NC(=O)NCCc1nn(C)c2ccccc12)c1ccccc1O ZINC000868511234 1304333028 /nfs/dbraw/zinc/33/30/28/1304333028.db2.gz DNIBDTILAUDXDJ-ZDUSSCGKSA-N 0 0 338.411 2.882 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(C[S@](C)=O)cc1)c1ccccc1O ZINC000868606061 1304377552 /nfs/dbraw/zinc/37/75/52/1304377552.db2.gz MQPKIVOWFNLVAG-RZFZLAGVSA-N 0 0 346.452 2.831 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCS3)C2)cc1 ZINC000868762837 1304460905 /nfs/dbraw/zinc/46/09/05/1304460905.db2.gz VVTOANAQVHPZTO-WMLDXEAASA-N 0 0 349.500 2.859 10 10 EFCERN C[C@H](NC(=O)NC[C@@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000868799579 1304481704 /nfs/dbraw/zinc/48/17/04/1304481704.db2.gz CYVRONWZVRMXKM-DJJJIMSYSA-N 0 0 342.395 2.983 10 10 EFCERN C[C@H](NC(=O)NC[C@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000868799582 1304482541 /nfs/dbraw/zinc/48/25/41/1304482541.db2.gz CYVRONWZVRMXKM-ORAYPTAESA-N 0 0 342.395 2.983 10 10 EFCERN COc1cccc(/C(C)=C/C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000122308043 1304485568 /nfs/dbraw/zinc/48/55/68/1304485568.db2.gz MCMAXMPKNQUYSO-JLHYYAGUSA-N 0 0 327.380 2.869 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCN(CC(F)F)C1 ZINC000868936378 1304540826 /nfs/dbraw/zinc/54/08/26/1304540826.db2.gz AXIGFADSTPFCNP-CQSZACIVSA-N 0 0 349.381 2.534 10 10 EFCERN C[C@@H]1CCn2cc(C(=O)NCc3ccc4cccnc4c3O)nc2C1 ZINC000868937481 1304541763 /nfs/dbraw/zinc/54/17/63/1304541763.db2.gz KFDVLIIBRRMZKP-GFCCVEGCSA-N 0 0 336.395 2.649 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCc3ccnc(F)c3)ccc21 ZINC000868954269 1304546817 /nfs/dbraw/zinc/54/68/17/1304546817.db2.gz RJRILBQXZVLDIV-UHFFFAOYSA-N 0 0 328.391 2.603 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCCS2)cc1F ZINC000868977186 1304558685 /nfs/dbraw/zinc/55/86/85/1304558685.db2.gz MMUJGJBJXUCLIF-ZDUSSCGKSA-N 0 0 325.453 2.977 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000869049070 1304590203 /nfs/dbraw/zinc/59/02/03/1304590203.db2.gz QAJYJDKJIKUZGB-JDFRZJQESA-N 0 0 348.443 2.824 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccnn1C ZINC000869177563 1304644677 /nfs/dbraw/zinc/64/46/77/1304644677.db2.gz ADTIROLHGFBGSI-LBPRGKRZSA-N 0 0 328.416 2.565 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869294798 1304702745 /nfs/dbraw/zinc/70/27/45/1304702745.db2.gz GBLXHHNEXMTZAH-WEZQJLTASA-N 0 0 328.456 2.556 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(C(F)F)CCC1 ZINC000869295207 1304703061 /nfs/dbraw/zinc/70/30/61/1304703061.db2.gz NVPJYTKARZAMRG-UHFFFAOYSA-N 0 0 338.398 2.699 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)c1 ZINC000869410963 1304766520 /nfs/dbraw/zinc/76/65/20/1304766520.db2.gz PHYSNUJCOOEGQS-UHFFFAOYSA-N 0 0 342.395 2.536 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000869443264 1304783459 /nfs/dbraw/zinc/78/34/59/1304783459.db2.gz LGRWRFHMEVKZSG-RDTXFTJFSA-N 0 0 334.368 2.775 10 10 EFCERN CCn1nc(C)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000869725192 1304936599 /nfs/dbraw/zinc/93/65/99/1304936599.db2.gz VOWBSLZWSKGOFT-VQHVLOKHSA-N 0 0 329.400 2.603 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)CC2)c(OC)c1 ZINC000870166775 1305186094 /nfs/dbraw/zinc/18/60/94/1305186094.db2.gz UMTJBICTPGKKSH-YWZLYKJASA-N 0 0 344.455 2.933 10 10 EFCERN O=C(NCCC1(O)CCN(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000870425916 1305315205 /nfs/dbraw/zinc/31/52/05/1305315205.db2.gz HWCLKSCHJJMRRX-UHFFFAOYSA-N 0 0 346.452 2.605 10 10 EFCERN Cc1cc(CC(=O)NCC[C@@H](O)C(F)F)c(C)n1-c1ccccc1 ZINC000870425550 1305315608 /nfs/dbraw/zinc/31/56/08/1305315608.db2.gz ZHQRIHKHYQBIOI-MRXNPFEDSA-N 0 0 336.382 2.769 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)c(O)c1O ZINC000870505321 1305364340 /nfs/dbraw/zinc/36/43/40/1305364340.db2.gz VGDAIKSDTNQPQD-DOTOQJQBSA-N 0 0 327.380 2.744 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC000871113690 1305815443 /nfs/dbraw/zinc/81/54/43/1305815443.db2.gz GAUPNNYFQQDRRQ-ROUUACIJSA-N 0 0 326.396 2.550 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCC[C@@H]1O ZINC000871113576 1305815833 /nfs/dbraw/zinc/81/58/33/1305815833.db2.gz AMIFNVPGNNCBRF-WMZOPIPTSA-N 0 0 326.396 2.550 10 10 EFCERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198272 1305884285 /nfs/dbraw/zinc/88/42/85/1305884285.db2.gz FLPCKPODRBEYMH-UHFFFAOYSA-N 0 0 345.420 2.730 10 10 EFCERN O=C(CSc1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871198043 1305884743 /nfs/dbraw/zinc/88/47/43/1305884743.db2.gz FYQPDMRKYOWYJB-UHFFFAOYSA-N 0 0 343.404 2.798 10 10 EFCERN O=C(CCCNC(=O)c1ccsc1)N1Cc2cccc(O)c2C1 ZINC000871200192 1305886152 /nfs/dbraw/zinc/88/61/52/1305886152.db2.gz ZMKZUPMUQCFXGG-UHFFFAOYSA-N 0 0 330.409 2.506 10 10 EFCERN Cc1ccc(N2C[C@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1 ZINC000871199462 1305886538 /nfs/dbraw/zinc/88/65/38/1305886538.db2.gz QAXHTGHEGYCKEZ-OAHLLOKOSA-N 0 0 336.391 2.596 10 10 EFCERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871201403 1305888042 /nfs/dbraw/zinc/88/80/42/1305888042.db2.gz VQDGCIKBYBSRRD-UKRRQHHQSA-N 0 0 330.428 2.519 10 10 EFCERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC000871201598 1305888396 /nfs/dbraw/zinc/88/83/96/1305888396.db2.gz XJLRKXFKTSRSCQ-GFCCVEGCSA-N 0 0 328.334 2.509 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203818 1305888845 /nfs/dbraw/zinc/88/88/45/1305888845.db2.gz RQBSRPWIDGPLTF-LJQANCHMSA-N 0 0 346.427 2.882 10 10 EFCERN O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1Cc2cccc(O)c2C1 ZINC000871204098 1305889037 /nfs/dbraw/zinc/88/90/37/1305889037.db2.gz BTHIIUJFFGIQMA-UHFFFAOYSA-N 0 0 335.363 2.938 10 10 EFCERN O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871202294 1305889526 /nfs/dbraw/zinc/88/95/26/1305889526.db2.gz CPIRAAIJFANUJM-CABCVRRESA-N 0 0 337.375 2.809 10 10 EFCERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871202297 1305890017 /nfs/dbraw/zinc/89/00/17/1305890017.db2.gz CPIRAAIJFANUJM-LSDHHAIUSA-N 0 0 337.375 2.809 10 10 EFCERN O=C([C@@H](C[C@H]1CCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871206190 1305890607 /nfs/dbraw/zinc/89/06/07/1305890607.db2.gz VUMYKYHSKTXDAF-DGCLKSJQSA-N 0 0 329.318 2.982 10 10 EFCERN O=C([C@@H]1CCO[C@H](c2ccccc2)O1)N1Cc2cccc(O)c2C1 ZINC000871204546 1305890649 /nfs/dbraw/zinc/89/06/49/1305890649.db2.gz GHHAYXOBVFSPOJ-HKUYNNGSSA-N 0 0 325.364 2.739 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000871206314 1305890930 /nfs/dbraw/zinc/89/09/30/1305890930.db2.gz ZGUWOHBNNUBSDY-MRXNPFEDSA-N 0 0 346.427 2.928 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871206068 1305891289 /nfs/dbraw/zinc/89/12/89/1305891289.db2.gz QJUUQUAWBWSCCM-UHFFFAOYSA-N 0 0 340.379 2.899 10 10 EFCERN O=C(Cc1cccc(N2CCCC2=O)c1)N1Cc2cccc(O)c2C1 ZINC000871205077 1305891449 /nfs/dbraw/zinc/89/14/49/1305891449.db2.gz VMRQCFOKPBWGCI-UHFFFAOYSA-N 0 0 336.391 2.604 10 10 EFCERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206763 1305891764 /nfs/dbraw/zinc/89/17/64/1305891764.db2.gz DKDCPCSHZRTBJE-GFCCVEGCSA-N 0 0 334.416 2.880 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000748841795 1314151259 /nfs/dbraw/zinc/15/12/59/1314151259.db2.gz VWHRMTXFTLCCLV-UHFFFAOYSA-N 0 0 342.370 2.909 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@@](C)(O)C2)c(C)n1-c1ccc(F)cc1 ZINC000748832386 1314160447 /nfs/dbraw/zinc/16/04/47/1314160447.db2.gz HHQCLSUYEZOFEU-LJQANCHMSA-N 0 0 330.403 2.873 10 10 EFCERN O=C(COc1ccsc1)NCc1ccc(N2CCSCC2)cc1 ZINC000800326570 1307712269 /nfs/dbraw/zinc/71/22/69/1307712269.db2.gz NHMIPSZBUNJILQ-UHFFFAOYSA-N 0 0 348.493 2.997 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1ccnc2n[nH]nc21 ZINC001626155895 1314207774 /nfs/dbraw/zinc/20/77/74/1314207774.db2.gz DYZBPGDIOISGJI-UHFFFAOYSA-N 0 0 325.372 2.501 10 10 EFCERN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254684 1307827455 /nfs/dbraw/zinc/82/74/55/1307827455.db2.gz LZCCQXOROJCRRB-VGOKWCNXSA-N 0 0 334.485 2.573 10 10 EFCERN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254682 1307827884 /nfs/dbraw/zinc/82/78/84/1307827884.db2.gz LZCCQXOROJCRRB-CHYADLBTSA-N 0 0 334.485 2.573 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccccc1OC ZINC000900400649 1308129171 /nfs/dbraw/zinc/12/91/71/1308129171.db2.gz PSCOANMOAJQJSR-IBGZPJMESA-N 0 0 342.439 2.843 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000800652097 1308204446 /nfs/dbraw/zinc/20/44/46/1308204446.db2.gz ZWDAKXZCTCMLNQ-INIZCTEOSA-N 0 0 339.439 2.705 10 10 EFCERN COC(=O)[C@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900511031 1308236978 /nfs/dbraw/zinc/23/69/78/1308236978.db2.gz JQQGWDDFPKIEGH-SECBINFHSA-N 0 0 349.408 2.726 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccc1OC ZINC000901054288 1309308368 /nfs/dbraw/zinc/30/83/68/1309308368.db2.gz VJJHMDLLUMZKGG-SFHVURJKSA-N 0 0 329.396 2.873 10 10 EFCERN COC(=O)c1sccc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000901436107 1310477437 /nfs/dbraw/zinc/47/74/37/1310477437.db2.gz MIXFSOOEDJHIFH-PKNBQFBNSA-N 0 0 336.438 2.991 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000722814707 1314399954 /nfs/dbraw/zinc/39/99/54/1314399954.db2.gz VYGVOARQVYXCOQ-UHFFFAOYSA-N 0 0 329.213 2.574 10 10 EFCERN CCOc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000901662139 1310842337 /nfs/dbraw/zinc/84/23/37/1310842337.db2.gz VRKFMFCUUNRFMT-ZDUSSCGKSA-N 0 0 343.445 2.880 10 10 EFCERN COCc1cc(O)ccc1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000901675334 1310869726 /nfs/dbraw/zinc/86/97/26/1310869726.db2.gz NWWATIJKOLDZEU-UHFFFAOYSA-N 0 0 347.436 2.695 10 10 EFCERN O=S(=O)(CC1Cc2ccccc2C1)Nc1ccc(O)c(F)c1F ZINC000901680487 1310878028 /nfs/dbraw/zinc/87/80/28/1310878028.db2.gz GIESMUTWKLQORX-UHFFFAOYSA-N 0 0 339.363 2.827 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000689676174 1311090990 /nfs/dbraw/zinc/09/09/90/1311090990.db2.gz SFCIACUDDNIROK-UHFFFAOYSA-N 0 0 326.234 2.795 10 10 EFCERN Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1cccc(C(C)C)c1 ZINC000801976517 1311170025 /nfs/dbraw/zinc/17/00/25/1311170025.db2.gz AZLVJRMTPMCYLP-FQEVSTJZSA-N 0 0 344.455 2.691 10 10 EFCERN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc(C(N)=O)c1 ZINC001158764696 1311383393 /nfs/dbraw/zinc/38/33/93/1311383393.db2.gz WFYXENWRCCDXFW-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC001224930294 1311450917 /nfs/dbraw/zinc/45/09/17/1311450917.db2.gz YRIJABDDQJFWEA-JEBQAFNWSA-N 0 0 345.487 2.928 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001161421090 1311883709 /nfs/dbraw/zinc/88/37/09/1311883709.db2.gz FKVHTADPRXYWAB-UHFFFAOYSA-N 0 0 339.326 2.579 10 10 EFCERN C[C@@H](NC(=O)c1nnc(-c2cscn2)o1)c1ccc(N(C)C)cc1 ZINC000902667463 1311994945 /nfs/dbraw/zinc/99/49/45/1311994945.db2.gz JUKVBAFFTVBBIN-SNVBAGLBSA-N 0 0 343.412 2.750 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000802781809 1312017235 /nfs/dbraw/zinc/01/72/35/1312017235.db2.gz HCULZPVPJITCQD-SECBINFHSA-N 0 0 332.312 2.506 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccn1Cc1cccs1 ZINC001162278993 1312079375 /nfs/dbraw/zinc/07/93/75/1312079375.db2.gz PYEVTGROQRFNRA-UHFFFAOYSA-N 0 0 328.393 2.939 10 10 EFCERN CC(=O)NCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001162607042 1312134217 /nfs/dbraw/zinc/13/42/17/1312134217.db2.gz GDYROFPNSGHDHV-UHFFFAOYSA-N 0 0 349.390 2.507 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000902908730 1312201499 /nfs/dbraw/zinc/20/14/99/1312201499.db2.gz TXIKIBNWTDVULE-ZDUSSCGKSA-N 0 0 347.406 2.942 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000902911670 1312203620 /nfs/dbraw/zinc/20/36/20/1312203620.db2.gz AGVGGNXIKLHFPI-MRXNPFEDSA-N 0 0 341.459 2.575 10 10 EFCERN O=C(NCc1c(O)cccc1F)Nc1cccnc1N1CCCC1 ZINC000902943753 1312228418 /nfs/dbraw/zinc/22/84/18/1312228418.db2.gz BBTGRKIWUJQMHU-UHFFFAOYSA-N 0 0 330.363 2.848 10 10 EFCERN CC[C@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC001163188860 1312260363 /nfs/dbraw/zinc/26/03/63/1312260363.db2.gz IZOJIXBFBFAOKW-MRXNPFEDSA-N 0 0 342.439 2.952 10 10 EFCERN CC(C)c1nc([C@H](CO)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC001163857003 1312396472 /nfs/dbraw/zinc/39/64/72/1312396472.db2.gz NQUZMEXJCDTYEO-FUEXJSSKSA-N 0 0 348.424 2.541 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC001164110856 1312449581 /nfs/dbraw/zinc/44/95/81/1312449581.db2.gz SBOBGPSOSDPUDW-LSDHHAIUSA-N 0 0 330.388 2.927 10 10 EFCERN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(-c2ccco2)n1 ZINC001165508169 1312639750 /nfs/dbraw/zinc/63/97/50/1312639750.db2.gz MXFGSOCIPDKZSE-UHFFFAOYSA-N 0 0 331.759 2.969 10 10 EFCERN CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000191258773 1315343577 /nfs/dbraw/zinc/34/35/77/1315343577.db2.gz NJGAKJVLICGBSJ-RDJZCZTQSA-N 0 0 349.500 2.607 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000826862184 1315535975 /nfs/dbraw/zinc/53/59/75/1315535975.db2.gz WQZNVNSPJSLEPI-IEBWSBKVSA-N 0 0 346.471 2.591 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@H](O)C(F)(F)C2)c1 ZINC000826957762 1315540298 /nfs/dbraw/zinc/54/02/98/1315540298.db2.gz GGZYWAFNSRGVTA-NSHDSACASA-N 0 0 336.176 2.665 10 10 EFCERN CC[S@](=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000827118142 1315599779 /nfs/dbraw/zinc/59/97/79/1315599779.db2.gz AFKGWUJLXXPEAY-QHCPKHFHSA-N 0 0 332.469 2.521 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3nc(C)c(C)s3)CC2)cc1 ZINC001253671633 1315626300 /nfs/dbraw/zinc/62/63/00/1315626300.db2.gz ORTRNWWQFFMPHU-UHFFFAOYSA-N 0 0 345.468 2.660 10 10 EFCERN Cc1nnc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC001256503269 1315949956 /nfs/dbraw/zinc/94/99/56/1315949956.db2.gz DEFGGDKVHLDJIK-SNVBAGLBSA-N 0 0 330.388 2.523 10 10 EFCERN Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3O)CC2=O)cc1C ZINC001137471620 1316012901 /nfs/dbraw/zinc/01/29/01/1316012901.db2.gz TUDHHIAEGGOGJS-INIZCTEOSA-N 0 0 338.407 2.678 10 10 EFCERN COc1c([O-])c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000827850363 1316023765 /nfs/dbraw/zinc/02/37/65/1316023765.db2.gz ODKKICSDMDFHKZ-HDICACEKSA-N 0 0 348.399 2.702 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ncccc1OCC(F)(F)F ZINC001303878692 1316342948 /nfs/dbraw/zinc/34/29/48/1316342948.db2.gz QWLMGOPTQGOPRW-UHFFFAOYSA-N 0 0 344.264 2.797 10 10 EFCERN COc1ccc(F)cc1CC(=O)NCc1ccc2cccnc2c1O ZINC001299721893 1316378172 /nfs/dbraw/zinc/37/81/72/1316378172.db2.gz UTZVDQFEWJBRHQ-UHFFFAOYSA-N 0 0 340.354 2.947 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C2CC2)nn1C ZINC001261286883 1316402072 /nfs/dbraw/zinc/40/20/72/1316402072.db2.gz HCHNXCOVJTVIPK-UHFFFAOYSA-N 0 0 327.432 2.994 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]1(C)C1CCCCC1 ZINC001261873568 1316435293 /nfs/dbraw/zinc/43/52/93/1316435293.db2.gz BPGLIFFQPIOVDD-HXUWFJFHSA-N 0 0 344.455 2.922 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC=CCC1 ZINC001262151474 1316450258 /nfs/dbraw/zinc/45/02/58/1316450258.db2.gz LBPSHRTVUXQPPV-UHFFFAOYSA-N 0 0 343.471 2.716 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001263702916 1316557007 /nfs/dbraw/zinc/55/70/07/1316557007.db2.gz BUQORYYGFFLYNV-MJGOQNOKSA-N 0 0 343.471 2.997 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(Cl)ccnc1F ZINC001263711724 1316557675 /nfs/dbraw/zinc/55/76/75/1316557675.db2.gz KBMIMUYZHPJEMY-UHFFFAOYSA-N 0 0 349.793 2.641 10 10 EFCERN CC[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCCC1=O ZINC001264287142 1316602825 /nfs/dbraw/zinc/60/28/25/1316602825.db2.gz LORKZTFYOIGPQO-GOSISDBHSA-N 0 0 343.471 2.646 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nccc2cccnc21 ZINC001265457384 1316808357 /nfs/dbraw/zinc/80/83/57/1316808357.db2.gz KPTDMJDANHZUSY-UHFFFAOYSA-N 0 0 334.379 2.735 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C/C(C)(C)C)cc1 ZINC000732403016 1321639108 /nfs/dbraw/zinc/63/91/08/1321639108.db2.gz SSMKHGKKZUBIBY-VAWYXSNFSA-N 0 0 332.444 2.857 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCn3c4ccccc4nc32)cc1 ZINC001290684883 1321941553 /nfs/dbraw/zinc/94/15/53/1321941553.db2.gz YUHGBLYKMOFBJD-UHFFFAOYSA-N 0 0 334.339 2.859 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(OC2CCCC2)c1 ZINC001290866859 1321968014 /nfs/dbraw/zinc/96/80/14/1321968014.db2.gz CQXBEXXHWORWTA-UHFFFAOYSA-N 0 0 342.395 2.673 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nnc(-c2ccccc2)s1 ZINC001291938678 1322024133 /nfs/dbraw/zinc/02/41/33/1322024133.db2.gz NKRQJCORHUCQDW-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN CCc1nnc(N2CCCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001293046511 1322178384 /nfs/dbraw/zinc/17/83/84/1322178384.db2.gz GBVYALNTAKDPRT-UHFFFAOYSA-N 0 0 325.460 2.871 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2c[nH]cn2)ccc1C ZINC001293751815 1322343067 /nfs/dbraw/zinc/34/30/67/1322343067.db2.gz DPEMBLMCLVRXHG-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(-c3ccccn3)c2)cc1 ZINC001293767711 1322346155 /nfs/dbraw/zinc/34/61/55/1322346155.db2.gz JARDOHSQGGVGDK-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC001294032206 1322397370 /nfs/dbraw/zinc/39/73/70/1322397370.db2.gz TWXFDKRBXHRAGT-CYBMUJFWSA-N 0 0 337.379 2.703 10 10 EFCERN C[C@@H](O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001294264797 1322441032 /nfs/dbraw/zinc/44/10/32/1322441032.db2.gz HQUWLWLCGSDFQG-LLVKDONJSA-N 0 0 326.356 2.832 10 10 EFCERN CCOC(=O)[C@@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001294284710 1322445600 /nfs/dbraw/zinc/44/56/00/1322445600.db2.gz LPRUZXDUJQOLGX-AWEZNQCLSA-N 0 0 342.439 2.952 10 10 EFCERN CCCN(CC)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001294482566 1322492350 /nfs/dbraw/zinc/49/23/50/1322492350.db2.gz OHEQYCATGSSIJW-UHFFFAOYSA-N 0 0 343.475 2.708 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000741922453 1322512393 /nfs/dbraw/zinc/51/23/93/1322512393.db2.gz DMZXUYVRBUVGCU-UHFFFAOYSA-N 0 0 341.367 2.992 10 10 EFCERN O=C(c1ccn2nccc2n1)N(Cc1ccco1)Cc1ccccc1O ZINC001294672472 1322541905 /nfs/dbraw/zinc/54/19/05/1322541905.db2.gz RZFNYVMDDKESAI-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)CCOCC3CC3)CC2)cc1 ZINC001295272195 1322669599 /nfs/dbraw/zinc/66/95/99/1322669599.db2.gz GNSJCZAMPIAJNH-UHFFFAOYSA-N 0 0 332.444 2.551 10 10 EFCERN Cn1c2ccccc2nc1C(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001296717601 1322988791 /nfs/dbraw/zinc/98/87/91/1322988791.db2.gz DCWDRJBRGBBQSC-UHFFFAOYSA-N 0 0 339.395 2.579 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001296754262 1323003548 /nfs/dbraw/zinc/00/35/48/1323003548.db2.gz UBULLUPUESGNAQ-CRAIPNDOSA-N 0 0 327.380 2.677 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001296754263 1323003803 /nfs/dbraw/zinc/00/38/03/1323003803.db2.gz UBULLUPUESGNAQ-MAUKXSAKSA-N 0 0 327.380 2.677 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C2OCCO2)c1 ZINC001297463848 1323225819 /nfs/dbraw/zinc/22/58/19/1323225819.db2.gz HJCUZHHZIOCTHO-ALCCZGGFSA-N 0 0 327.336 2.795 10 10 EFCERN O=C(Nc1cccc2c1CNC2=O)c1cc2cc(O)c(O)cc2s1 ZINC001297529389 1323257629 /nfs/dbraw/zinc/25/76/29/1323257629.db2.gz QWLKOHVBZAAEJL-UHFFFAOYSA-N 0 0 340.360 2.808 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCc1ccncc1 ZINC001297562438 1323273067 /nfs/dbraw/zinc/27/30/67/1323273067.db2.gz LIMHDGXDHCNBIZ-UHFFFAOYSA-N 0 0 337.441 2.823 10 10 EFCERN COc1cc(CCNC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001298383872 1323508634 /nfs/dbraw/zinc/50/86/34/1323508634.db2.gz IYSCALPMEJGUDU-UHFFFAOYSA-N 0 0 335.787 2.661 10 10 EFCERN Cc1ccc(-c2[nH]nc(NC(=O)Cc3ccc(O)c(O)c3)c2C)o1 ZINC001298969922 1323651984 /nfs/dbraw/zinc/65/19/84/1323651984.db2.gz GYHXISJNZYXCNY-UHFFFAOYSA-N 0 0 327.340 2.879 10 10 EFCERN CCCC[C@H](O)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001299769594 1323706839 /nfs/dbraw/zinc/70/68/39/1323706839.db2.gz SGTJITNOIIWFLV-WMZOPIPTSA-N 0 0 348.487 2.969 10 10 EFCERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001299839191 1323709323 /nfs/dbraw/zinc/70/93/23/1323709323.db2.gz PAMPYPPNQYGHEG-UHFFFAOYSA-N 0 0 349.427 2.611 10 10 EFCERN O=C(Nc1ccc(CO)c(CO)c1)c1cc2cc(O)c(O)cc2s1 ZINC001301545736 1324548852 /nfs/dbraw/zinc/54/88/52/1324548852.db2.gz IXZUYAFNGZRRBR-UHFFFAOYSA-N 0 0 345.376 2.549 10 10 EFCERN C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(N)=O)c1ccccc1O ZINC001302530164 1324579648 /nfs/dbraw/zinc/57/96/48/1324579648.db2.gz CKBYTNPDMMJPHT-NEPJUHHUSA-N 0 0 344.436 2.849 10 10 EFCERN Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] ZINC001302538595 1324580123 /nfs/dbraw/zinc/58/01/23/1324580123.db2.gz WDCUBVAMHGHAAX-LBPRGKRZSA-N 0 0 330.340 2.865 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(Nc2ncccn2)c1 ZINC001303223121 1324597826 /nfs/dbraw/zinc/59/78/26/1324597826.db2.gz AUNFZWGKJLEGMU-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnc(-c2cccnc2)s1 ZINC001303225719 1324599332 /nfs/dbraw/zinc/59/93/32/1324599332.db2.gz OGIXULLIWSRHCC-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001303934191 1324627538 /nfs/dbraw/zinc/62/75/38/1324627538.db2.gz LLNYKDILBDMMGN-OLZOCXBDSA-N 0 0 332.425 2.837 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC12CCOCC2 ZINC001304794639 1324662459 /nfs/dbraw/zinc/66/24/59/1324662459.db2.gz MOWAUJJWYOVGRS-MRXNPFEDSA-N 0 0 342.443 2.745 10 10 EFCERN Cc1nn(C)c2ncc(C(=O)NCc3cccc(Cl)c3O)cc12 ZINC001305069959 1324671111 /nfs/dbraw/zinc/67/11/11/1324671111.db2.gz WCVOJNNOEQDZGJ-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cnnn1-c1cccc(F)c1 ZINC001305084921 1324672265 /nfs/dbraw/zinc/67/22/65/1324672265.db2.gz OVNTVGYYEJWETM-UHFFFAOYSA-N 0 0 346.749 2.695 10 10 EFCERN CN(CC(=O)NCc1cccc(Cl)c1O)c1ccc(Cl)cn1 ZINC001305085181 1324672957 /nfs/dbraw/zinc/67/29/57/1324672957.db2.gz RPJRUQPLEJWATN-UHFFFAOYSA-N 0 0 340.210 2.847 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000750568183 1324706233 /nfs/dbraw/zinc/70/62/33/1324706233.db2.gz UWNLPCICQZRAML-ALCCZGGFSA-N 0 0 339.351 2.739 10 10 EFCERN COc1ccc(C[C@H]2CCN2C(=O)c2c(F)ccc(O)c2O)cc1 ZINC001306694944 1324718423 /nfs/dbraw/zinc/71/84/23/1324718423.db2.gz BGRIISBUXHSCOG-GFCCVEGCSA-N 0 0 331.343 2.703 10 10 EFCERN COc1c(CNC(=O)c2c(F)ccc(O)c2O)oc2ccccc21 ZINC001306829457 1324722849 /nfs/dbraw/zinc/72/28/49/1324722849.db2.gz FWQJUULVFRUWSY-UHFFFAOYSA-N 0 0 331.299 2.922 10 10 EFCERN C[C@H](Nc1cnc(I)nc1)c1ccccc1O ZINC001307187970 1324748917 /nfs/dbraw/zinc/74/89/17/1324748917.db2.gz FJXSJTZVJGDPBY-QMMMGPOBSA-N 0 0 341.152 2.960 10 10 EFCERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1c(O)cccc1F ZINC001307214532 1324751719 /nfs/dbraw/zinc/75/17/19/1324751719.db2.gz IWXRFQVBODKXOH-UHFFFAOYSA-N 0 0 345.330 2.944 10 10 EFCERN COc1ccc(C[NH2+]C2(CC(=O)[O-])CCCC2)cc1Cn1cccn1 ZINC000901687210 1324754740 /nfs/dbraw/zinc/75/47/40/1324754740.db2.gz MCUGSTWQUBUNPV-UHFFFAOYSA-N 0 0 343.427 2.817 10 10 EFCERN CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000901967480 1324763268 /nfs/dbraw/zinc/76/32/68/1324763268.db2.gz XOOFLOCZIUJMBJ-WCYDHSITSA-N 0 0 342.361 2.961 10 10 EFCERN CCOc1ccc(N(CC)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC001307565719 1324772350 /nfs/dbraw/zinc/77/23/50/1324772350.db2.gz GCDMIQKTJZGIGK-OAHLLOKOSA-N 0 0 334.460 2.938 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1COc2ccccc2O1 ZINC001307648441 1324776152 /nfs/dbraw/zinc/77/61/52/1324776152.db2.gz NYGQWEMASKFAOH-OAHLLOKOSA-N 0 0 326.396 2.791 10 10 EFCERN CCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H](COC)C(=O)OCC ZINC001307684890 1324776422 /nfs/dbraw/zinc/77/64/22/1324776422.db2.gz VJFJKZQXNOESAD-SFHVURJKSA-N 0 0 336.476 2.851 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1O ZINC001307878739 1324783908 /nfs/dbraw/zinc/78/39/08/1324783908.db2.gz XCQCRGJNPSWATC-HBNTYKKESA-N 0 0 338.835 2.688 10 10 EFCERN COc1ccc(N2CC[NH+](C[C@@H](O)CCC(C)C)CC2)c(OC)c1 ZINC001308014612 1324788482 /nfs/dbraw/zinc/78/84/82/1324788482.db2.gz SIHFOTZDZACVBC-INIZCTEOSA-N 0 0 336.476 2.623 10 10 EFCERN CCOc1ccc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC001320624011 1329180133 /nfs/dbraw/zinc/18/01/33/1329180133.db2.gz AHPNIKJZOLKQJE-CQSZACIVSA-N 0 0 332.366 2.521 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001312388609 1324985003 /nfs/dbraw/zinc/98/50/03/1324985003.db2.gz VRYZDZQDIBOCKP-OAHLLOKOSA-N 0 0 334.416 2.609 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001312490654 1324986707 /nfs/dbraw/zinc/98/67/07/1324986707.db2.gz FZWGPZLQESSZFW-UHFFFAOYSA-N 0 0 329.356 2.917 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1CC=CCO1 ZINC001314753620 1325043010 /nfs/dbraw/zinc/04/30/10/1325043010.db2.gz SQLXNCSUAVMASX-INIZCTEOSA-N 0 0 340.427 2.843 10 10 EFCERN CON(C)c1nnc(C2CC2)n1CCCSc1nccs1 ZINC001316308721 1325079615 /nfs/dbraw/zinc/07/96/15/1325079615.db2.gz PASPTFLVBPGFHI-UHFFFAOYSA-N 0 0 325.463 2.792 10 10 EFCERN CO[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC001320907974 1329317985 /nfs/dbraw/zinc/31/79/85/1329317985.db2.gz OVIPHKLPHCPGHH-GHMZBOCLSA-N 0 0 343.221 2.521 10 10 EFCERN CC(C)c1ncc(C(=O)NCc2cc(Br)ccc2O)[nH]1 ZINC001322569086 1329468305 /nfs/dbraw/zinc/46/83/05/1329468305.db2.gz MBECYIMUEWHHDP-UHFFFAOYSA-N 0 0 338.205 2.931 10 10 EFCERN Cc1cc(C(=O)NCCOCCCO)c(C)n1-c1cccc(C)c1 ZINC001322728776 1329483603 /nfs/dbraw/zinc/48/36/03/1329483603.db2.gz AQHDJPKBCIWJPO-UHFFFAOYSA-N 0 0 330.428 2.531 10 10 EFCERN Cc1cccc(F)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001323738934 1329566944 /nfs/dbraw/zinc/56/69/44/1329566944.db2.gz PNYWOMPNKZQCSE-UHFFFAOYSA-N 0 0 328.387 2.901 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4CCCC[C@H]4C3)cc2N1 ZINC001323921678 1329584880 /nfs/dbraw/zinc/58/48/80/1329584880.db2.gz YRQVDJFAPHOJCL-RYUDHWBXSA-N 0 0 331.372 2.942 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(C)c2OC)cc1 ZINC001325175885 1329674231 /nfs/dbraw/zinc/67/42/31/1329674231.db2.gz FMCBUSBXTLFZRX-UHFFFAOYSA-N 0 0 330.432 2.547 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@]12CCOC2 ZINC001325520439 1329693833 /nfs/dbraw/zinc/69/38/33/1329693833.db2.gz SVHPTKJAHGXNNK-HNAYVOBHSA-N 0 0 331.460 2.566 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[C@@H](F)C1 ZINC001325918729 1329724153 /nfs/dbraw/zinc/72/41/53/1329724153.db2.gz RZHHWGIANBUHCL-LSDHHAIUSA-N 0 0 338.398 2.807 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[C@@H](F)C1 ZINC001325918728 1329724173 /nfs/dbraw/zinc/72/41/73/1329724173.db2.gz RZHHWGIANBUHCL-HUUCEWRRSA-N 0 0 338.398 2.807 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@](O)(C(F)F)C2)cc1 ZINC001326705622 1330350076 /nfs/dbraw/zinc/35/00/76/1330350076.db2.gz ADTHQJRMMCLSMM-SFHVURJKSA-N 0 0 334.366 2.936 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@@H]1c1cccc(F)c1)OCO2 ZINC001327679450 1330507907 /nfs/dbraw/zinc/50/79/07/1330507907.db2.gz QHTDSYQYOLRPOQ-OAHLLOKOSA-N 0 0 331.343 2.834 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC001327799154 1330516958 /nfs/dbraw/zinc/51/69/58/1330516958.db2.gz JRPAEIZFSCNMRX-QGZVFWFLSA-N 0 0 344.455 2.922 10 10 EFCERN Cc1ccc(NC(=O)N(C)C)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001329603058 1330722300 /nfs/dbraw/zinc/72/23/00/1330722300.db2.gz ULWGXNRUWUEZPY-UHFFFAOYSA-N 0 0 339.395 2.950 10 10 EFCERN COc1ccc(C[NH2+][C@H](CC=C(C)C)C(=O)[O-])cc1Cn1cccn1 ZINC001329633700 1330725298 /nfs/dbraw/zinc/72/52/98/1330725298.db2.gz VESWOMVTZIMMQP-QGZVFWFLSA-N 0 0 343.427 2.839 10 10 EFCERN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@]3(C)Br)ccc21 ZINC001331332249 1330823784 /nfs/dbraw/zinc/82/37/84/1330823784.db2.gz CCAMIQVWGPQPHS-XJKSGUPXSA-N 0 0 337.261 2.859 10 10 EFCERN Cc1cc(CCNC(=O)CO[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001331825961 1330878830 /nfs/dbraw/zinc/87/88/30/1330878830.db2.gz IHUWXGJYMAVEMS-LJQANCHMSA-N 0 0 342.439 2.558 10 10 EFCERN CCC[C@H](C)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001332184134 1330935772 /nfs/dbraw/zinc/93/57/72/1330935772.db2.gz HHGVUFXWRIMKMR-INIZCTEOSA-N 0 0 345.487 2.846 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C3CC3)C2=O)cc1 ZINC001334839181 1331315460 /nfs/dbraw/zinc/31/54/60/1331315460.db2.gz AATBSWCGGHEHPV-GOSISDBHSA-N 0 0 343.471 2.550 10 10 EFCERN O=C(C(=O)N1CCC[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001335548543 1331371793 /nfs/dbraw/zinc/37/17/93/1331371793.db2.gz UBWGKXFIMNHSMO-KRWDZBQOSA-N 0 0 336.391 2.598 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1 ZINC001337611735 1331587571 /nfs/dbraw/zinc/58/75/71/1331587571.db2.gz OBERKMAOCVPLGJ-ZYSHUDEJSA-N 0 0 337.423 2.589 10 10 EFCERN C[C@H](NC(=O)C(=O)NC1CCC=CCC1)c1ccc(N(C)C)cc1 ZINC001338556605 1331715797 /nfs/dbraw/zinc/71/57/97/1331715797.db2.gz OLSKANJERQTLMW-AWEZNQCLSA-N 0 0 329.444 2.545 10 10 EFCERN COC(=O)[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001341079274 1332232496 /nfs/dbraw/zinc/23/24/96/1332232496.db2.gz SWKBFIQBULYACQ-LJQANCHMSA-N 0 0 346.471 2.735 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC001346266796 1332620310 /nfs/dbraw/zinc/62/03/10/1332620310.db2.gz KYQMGEGMFGJNPA-GDBMZVCRSA-N 0 0 335.423 2.602 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@]2([C@@H]3CCCCO3)CCCO2)c1 ZINC001346452966 1332643221 /nfs/dbraw/zinc/64/32/21/1332643221.db2.gz ZZDXAOIAMCTXPB-SOVGHPHASA-N 0 0 349.427 2.696 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCC[C@](O)(C4CC4)C3)ccc21 ZINC001347239541 1332726905 /nfs/dbraw/zinc/72/69/05/1332726905.db2.gz YCRIWNNJSQUMEV-HXUWFJFHSA-N 0 0 343.471 2.516 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncnc4scnc43)C2)cc1 ZINC001347252921 1332728837 /nfs/dbraw/zinc/72/88/37/1332728837.db2.gz LMLNHCRMKXUBEH-LLVKDONJSA-N 0 0 327.413 2.786 10 10 EFCERN COc1ccc(CNC(=O)[C@H](CCCO)c2ccccc2)c(O)c1 ZINC001347531579 1332753809 /nfs/dbraw/zinc/75/38/09/1332753809.db2.gz BQTASYIPYMXPID-QGZVFWFLSA-N 0 0 329.396 2.573 10 10 EFCERN CCC(CC)(C(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C ZINC001347542790 1332754032 /nfs/dbraw/zinc/75/40/32/1332754032.db2.gz RTIJQWLQMRLFEJ-UHFFFAOYSA-N 0 0 337.416 2.862 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1Cc2cccnc2C1 ZINC001347585179 1332758491 /nfs/dbraw/zinc/75/84/91/1332758491.db2.gz VHQABVAZXVEABP-NSHDSACASA-N 0 0 347.212 2.581 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2CC(C)(C)C2)cc1 ZINC001347730488 1332769226 /nfs/dbraw/zinc/76/92/26/1332769226.db2.gz WXOGGTMDJZNMBF-UHFFFAOYSA-N 0 0 345.487 2.796 10 10 EFCERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cccc(O)c2O)CC=CCC1 ZINC001348046041 1332795441 /nfs/dbraw/zinc/79/54/41/1332795441.db2.gz HGIKZXMMVVLEIL-IBGZPJMESA-N 0 0 347.411 2.782 10 10 EFCERN COC(=O)CC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC001348091196 1332799647 /nfs/dbraw/zinc/79/96/47/1332799647.db2.gz LDZUYNAKBSUTCG-UHFFFAOYSA-N 0 0 332.400 2.541 10 10 EFCERN C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001348156520 1332805042 /nfs/dbraw/zinc/80/50/42/1332805042.db2.gz GZZKFEIUBBXVGM-ABCZVMIZSA-N 0 0 330.428 2.555 10 10 EFCERN Cc1ccccc1[C@@H](C)N(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001348683822 1332858902 /nfs/dbraw/zinc/85/89/02/1332858902.db2.gz IWBWHQWXAJKDLC-OAHLLOKOSA-N 0 0 340.423 2.879 10 10 EFCERN CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001349119906 1332907323 /nfs/dbraw/zinc/90/73/23/1332907323.db2.gz VYUXRRZMYPHOGE-MJGOQNOKSA-N 0 0 346.471 2.687 10 10 EFCERN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CC[C@H](C)C2)no1 ZINC001349744225 1332993001 /nfs/dbraw/zinc/99/30/01/1332993001.db2.gz LOHFOURSMIQQPC-JTQLQIEISA-N 0 0 345.428 2.903 10 10 EFCERN C[C@H](CC(=O)NCc1cccc(O)c1O)N1CCc2ccccc21 ZINC001350300598 1333061294 /nfs/dbraw/zinc/06/12/94/1333061294.db2.gz UOAIMEFWUOIJNN-CYBMUJFWSA-N 0 0 326.396 2.555 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](O)c1c[nH]cn1 ZINC001350417812 1333078777 /nfs/dbraw/zinc/07/87/77/1333078777.db2.gz DITWAVILTRXFRM-GOSISDBHSA-N 0 0 338.411 2.589 10 10 EFCERN CNc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC001350880600 1333146665 /nfs/dbraw/zinc/14/66/65/1333146665.db2.gz ATBDHBHYKKQSQE-UHFFFAOYSA-N 0 0 339.443 2.505 10 10 EFCERN Cc1cc(CC(=O)NCC2OCCCO2)c(C)n1-c1ccccc1 ZINC001350992678 1333163581 /nfs/dbraw/zinc/16/35/81/1333163581.db2.gz QHOHPOSGTTUTLM-UHFFFAOYSA-N 0 0 328.412 2.516 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H]1CCCCN1Cc1cccnc1 ZINC001351000709 1333165503 /nfs/dbraw/zinc/16/55/03/1333165503.db2.gz ZLOCGGKUHKOSTI-QGZVFWFLSA-N 0 0 343.402 2.597 10 10 EFCERN Cc1cc(C(=O)NCC2CCC(O)CC2)c(C)n1-c1ccccn1 ZINC001351094286 1333178825 /nfs/dbraw/zinc/17/88/25/1333178825.db2.gz CCZKJFRIFCHAQQ-UHFFFAOYSA-N 0 0 327.428 2.770 10 10 EFCERN CC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351672742 1333267149 /nfs/dbraw/zinc/26/71/49/1333267149.db2.gz GVYTXWVUOOJBEV-SFHVURJKSA-N 0 0 343.471 2.504 10 10 EFCERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001351765139 1333283346 /nfs/dbraw/zinc/28/33/46/1333283346.db2.gz ZSPZQEQETQGYJO-GXFFZTMASA-N 0 0 340.807 2.577 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000847278046 1333472308 /nfs/dbraw/zinc/47/23/08/1333472308.db2.gz XIZJPQDPTKMEKO-MSOLQXFVSA-N 0 0 331.460 2.900 10 10 EFCERN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001300028733 1333547079 /nfs/dbraw/zinc/54/70/79/1333547079.db2.gz IUFTZTFKFLAEQE-UHFFFAOYSA-N 0 0 328.368 2.831 10 10 EFCERN CO[C@@H]1COCC[C@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352614912 1333632070 /nfs/dbraw/zinc/63/20/70/1333632070.db2.gz IZJVAFNSYYKYBJ-PKOBYXMFSA-N 0 0 346.471 2.687 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nnn(C)c2c1 ZINC001352616204 1333632341 /nfs/dbraw/zinc/63/23/41/1333632341.db2.gz ZDCQFCASNPQLIQ-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN CC1(C)CN(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000847570061 1333924189 /nfs/dbraw/zinc/92/41/89/1333924189.db2.gz LGSURTNMDBJSTM-UHFFFAOYSA-N 0 0 328.412 2.856 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(-c2ccccc2)cn1 ZINC001354371621 1334256778 /nfs/dbraw/zinc/25/67/78/1334256778.db2.gz QBZDDCHXMZSQSE-UHFFFAOYSA-N 0 0 348.406 2.978 10 10 EFCERN Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000848270079 1334547245 /nfs/dbraw/zinc/54/72/45/1334547245.db2.gz NJKWXZNKLSPPDC-UHFFFAOYSA-N 0 0 349.438 2.958 10 10 EFCERN CCOC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCCCC1 ZINC000848442708 1334722965 /nfs/dbraw/zinc/72/29/65/1334722965.db2.gz HRAYCENMUXIBDT-SFHVURJKSA-N 0 0 332.444 2.830 10 10 EFCERN CCOC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)C1CCCCCC1 ZINC000848442707 1334723129 /nfs/dbraw/zinc/72/31/29/1334723129.db2.gz HRAYCENMUXIBDT-GOSISDBHSA-N 0 0 332.444 2.830 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000848598947 1334810305 /nfs/dbraw/zinc/81/03/05/1334810305.db2.gz VIZRBNJJZBOJGZ-UONOGXRCSA-N 0 0 345.365 2.611 10 10 EFCERN COC(=O)c1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c(C)o1 ZINC000848639098 1334821110 /nfs/dbraw/zinc/82/11/10/1334821110.db2.gz OMDIXBKGZONDMT-LCYFTJDESA-N 0 0 334.397 2.831 10 10 EFCERN COC(=O)c1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(C)o1 ZINC000848639100 1334821249 /nfs/dbraw/zinc/82/12/49/1334821249.db2.gz OMDIXBKGZONDMT-UKTHLTGXSA-N 0 0 334.397 2.831 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000848777152 1334891197 /nfs/dbraw/zinc/89/11/97/1334891197.db2.gz NXHVUMYFHQXZJQ-QEHWCHDUSA-N 0 0 346.343 2.670 10 10 EFCERN CCc1cccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000848888926 1334964588 /nfs/dbraw/zinc/96/45/88/1334964588.db2.gz DGHJVOHMQGSBPY-IAGOWNOFSA-N 0 0 331.412 2.872 10 10 EFCERN COc1ccc(N2CCN(Cc3cnc(Cl)n3C)CC2)cc1F ZINC000848891461 1334965731 /nfs/dbraw/zinc/96/57/31/1334965731.db2.gz YMDFGLPEESEJCM-UHFFFAOYSA-N 0 0 338.814 2.543 10 10 EFCERN Oc1cc(OCc2ccccc2)ccc1CN1CCn2nncc2C1 ZINC000848921651 1334987574 /nfs/dbraw/zinc/98/75/74/1334987574.db2.gz DWJILYTVLHCVDG-UHFFFAOYSA-N 0 0 336.395 2.579 10 10 EFCERN COCCN(C/C=C/c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000848921672 1334987789 /nfs/dbraw/zinc/98/77/89/1334987789.db2.gz FYWNVHIFIWTALX-APHBUQMISA-N 0 0 346.393 2.637 10 10 EFCERN Cc1cccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1O ZINC000848923853 1334989122 /nfs/dbraw/zinc/98/91/22/1334989122.db2.gz KDRKKRXDSTZCSB-IBGZPJMESA-N 0 0 339.395 2.710 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1cc(F)ccc1O ZINC000848928545 1334993172 /nfs/dbraw/zinc/99/31/72/1334993172.db2.gz GWUMLFYZXQWZHZ-MRXNPFEDSA-N 0 0 346.402 2.969 10 10 EFCERN CCC(CC)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001358226107 1335367000 /nfs/dbraw/zinc/36/70/00/1335367000.db2.gz FZBLAIDQPPFNMT-LLVKDONJSA-N 0 0 347.419 2.520 10 10 EFCERN COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cccc(F)c2[O-])cc1F ZINC000849352328 1335597346 /nfs/dbraw/zinc/59/73/46/1335597346.db2.gz LETRDVDQNXVEFX-YOEHRIQHSA-N 0 0 348.393 2.914 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@](C)(CCF)C1=O ZINC000849356847 1335597542 /nfs/dbraw/zinc/59/75/42/1335597542.db2.gz KFCWEGYNLZAYLL-FZKQIMNGSA-N 0 0 335.423 2.662 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N[C@@](C)(CCF)C2=O)cc1F ZINC000849355013 1335597616 /nfs/dbraw/zinc/59/76/16/1335597616.db2.gz XVYSSEZXUCQFSB-KRWDZBQOSA-N 0 0 339.386 2.842 10 10 EFCERN CCCCC[C@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849357752 1335597977 /nfs/dbraw/zinc/59/79/77/1335597977.db2.gz PJGLSJCLSRWDBP-DOTOQJQBSA-N 0 0 345.443 2.775 10 10 EFCERN COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](CC(C)C)N(C)C3=O)C2)cc1 ZINC000849357938 1335598091 /nfs/dbraw/zinc/59/80/91/1335598091.db2.gz QWHZXZWGNFGXDG-NVXWUHKLSA-N 0 0 345.443 2.583 10 10 EFCERN C[C@H]1c2ccccc2C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849360580 1335598286 /nfs/dbraw/zinc/59/82/86/1335598286.db2.gz QMJVYRMCEQXHMJ-SUMWQHHRSA-N 0 0 336.391 2.885 10 10 EFCERN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(C)c3)C2)cc1 ZINC000849416142 1335610632 /nfs/dbraw/zinc/61/06/32/1335610632.db2.gz KPGLKTOKQRLRHR-HNNXBMFYSA-N 0 0 346.452 2.561 10 10 EFCERN COc1ccc(N2CC[C@H](NS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000849416522 1335610762 /nfs/dbraw/zinc/61/07/62/1335610762.db2.gz RPLCRRLVULBGPY-AWEZNQCLSA-N 0 0 338.473 2.526 10 10 EFCERN CC[C@H](NC(C)=O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438303219 1388495011 /nfs/dbraw/zinc/49/50/11/1388495011.db2.gz NYDRUUSUNNHDSG-IBGZPJMESA-N 0 0 341.455 2.933 10 10 EFCERN Cn1cnc(/C=C/C(=O)N2CCc3cccc(Br)c32)c1 ZINC001438599495 1388689830 /nfs/dbraw/zinc/68/98/30/1388689830.db2.gz IKKKWYFRDVXGJV-AATRIKPKSA-N 0 0 332.201 2.785 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)[C@H](C)C3)CC2)cc1 ZINC001545931427 1389608560 /nfs/dbraw/zinc/60/85/60/1389608560.db2.gz IISHJWWGOIBRFK-HZPDHXFCSA-N 0 0 344.455 2.739 10 10 EFCERN Cc1[nH]c(=O)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001441629023 1391393592 /nfs/dbraw/zinc/39/35/92/1391393592.db2.gz GREKWYOCKYQZCN-UHFFFAOYSA-N 0 0 343.452 2.579 10 10 EFCERN Cc1cccc2c1OC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001450745978 1392728983 /nfs/dbraw/zinc/72/89/83/1392728983.db2.gz NUVBVSOPQGEEMC-HNNXBMFYSA-N 0 0 338.367 2.891 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(Nc2ccc(F)cc2)C1 ZINC001454551180 1393057384 /nfs/dbraw/zinc/05/73/84/1393057384.db2.gz FTFFFAUHQHAMCK-WAPJZHGLSA-N 0 0 328.343 2.573 10 10 EFCERN C[C@@H](NC(=O)c1nccnc1NC(=O)C(C)(C)C)c1ccccc1O ZINC001454802806 1394243951 /nfs/dbraw/zinc/24/39/51/1394243951.db2.gz DMNJXSFXMVMZSZ-LLVKDONJSA-N 0 0 342.399 2.658 10 10 EFCERN COc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001454815573 1394261497 /nfs/dbraw/zinc/26/14/97/1394261497.db2.gz GUSXSAVCSJWPCK-NSHDSACASA-N 0 0 330.340 2.729 10 10 EFCERN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001454817868 1394264101 /nfs/dbraw/zinc/26/41/01/1394264101.db2.gz MNQVZYDMCSHRRK-VLURKWGBSA-N 0 0 349.394 2.563 10 10 EFCERN O=C(CCc1cnn(-c2ccccc2)c1)NCc1cc(O)ccc1O ZINC001455351959 1394592933 /nfs/dbraw/zinc/59/29/33/1394592933.db2.gz ZXDSMJBIOFITGI-UHFFFAOYSA-N 0 0 337.379 2.533 10 10 EFCERN C[C@H]1CCCN(c2cc(C(=O)NCc3cc(O)ccc3O)ccn2)C1 ZINC001455357045 1394593628 /nfs/dbraw/zinc/59/36/28/1394593628.db2.gz MYKFTQBHPRSABY-ZDUSSCGKSA-N 0 0 341.411 2.659 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001455355165 1394593816 /nfs/dbraw/zinc/59/38/16/1394593816.db2.gz ALQRXQVRHWNDKB-AWEZNQCLSA-N 0 0 342.178 2.754 10 10 EFCERN C[C@@H]1CCCN(c2cc(C(=O)NCc3cc(O)ccc3O)ccn2)C1 ZINC001455357043 1394593971 /nfs/dbraw/zinc/59/39/71/1394593971.db2.gz MYKFTQBHPRSABY-CYBMUJFWSA-N 0 0 341.411 2.659 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3c(O)cccc3O)C2)c1 ZINC001456310365 1394664323 /nfs/dbraw/zinc/66/43/23/1394664323.db2.gz AJXJFSMKKLTYTL-GOSISDBHSA-N 0 0 340.379 2.524 10 10 EFCERN COc1cccc(C[C@@H](C)CC(=O)NCc2c(O)cccc2O)c1 ZINC001456316032 1394666232 /nfs/dbraw/zinc/66/62/32/1394666232.db2.gz MPSZJPRVTFXJKC-CYBMUJFWSA-N 0 0 329.396 2.992 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2ccccc2c1O ZINC001456879695 1394849370 /nfs/dbraw/zinc/84/93/70/1394849370.db2.gz HLFWZNZCFXFZPX-UHFFFAOYSA-N 0 0 349.390 2.633 10 10 EFCERN C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCc1cccc(Cl)c1O ZINC001457038570 1394935779 /nfs/dbraw/zinc/93/57/79/1394935779.db2.gz XGVGRTRKTLHLNQ-BONVTDFDSA-N 0 0 337.778 2.966 10 10 EFCERN CC1=NO[C@@](C)(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001457412202 1395102977 /nfs/dbraw/zinc/10/29/77/1395102977.db2.gz UEDMZHQVHYOBBV-GOSISDBHSA-N 0 0 335.367 2.890 10 10 EFCERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1nccn1-c1ccccc1 ZINC001457860726 1395369834 /nfs/dbraw/zinc/36/98/34/1395369834.db2.gz RCYKJYFMEBCVQK-LLVKDONJSA-N 0 0 341.342 2.914 10 10 EFCERN CCOC(=O)c1cnc(CC)nc1NCc1ccc(N(C)C)cc1 ZINC001458077588 1395404330 /nfs/dbraw/zinc/40/43/30/1395404330.db2.gz YVSDMSOELCDVMW-UHFFFAOYSA-N 0 0 328.416 2.894 10 10 EFCERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2c(O)cccc2F)s1 ZINC001458626525 1395526259 /nfs/dbraw/zinc/52/62/59/1395526259.db2.gz XMLZSZHJUUVRAV-UHFFFAOYSA-N 0 0 346.361 2.517 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C(N)=O)cs1 ZINC001463814183 1396523237 /nfs/dbraw/zinc/52/32/37/1396523237.db2.gz PEEWDWZTZZMWTP-UHFFFAOYSA-N 0 0 343.452 2.719 10 10 EFCERN COCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1ccccc1 ZINC001464558730 1396585672 /nfs/dbraw/zinc/58/56/72/1396585672.db2.gz WBBKBBGFMIUCRM-CQSZACIVSA-N 0 0 329.396 2.877 10 10 EFCERN COC(=O)CCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001465649262 1396700429 /nfs/dbraw/zinc/70/04/29/1396700429.db2.gz WDUFPHHSBUYXCI-UHFFFAOYSA-N 0 0 346.387 2.654 10 10 EFCERN CC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccccc1F ZINC001465662564 1396701661 /nfs/dbraw/zinc/70/16/61/1396701661.db2.gz NGFKUHBGNYABSX-ZDUSSCGKSA-N 0 0 333.359 2.753 10 10 EFCERN Cc1nc[nH]c1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001465841446 1396715490 /nfs/dbraw/zinc/71/54/90/1396715490.db2.gz XUDQXKLUGDDEFL-UHFFFAOYSA-N 0 0 325.368 2.788 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(OC(F)F)cc1F ZINC001465955626 1396725137 /nfs/dbraw/zinc/72/51/37/1396725137.db2.gz ZWVGLVBJSXLSKT-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN O=C(NCc1ccccc1O)c1ccccc1[S@@](=O)C(F)(F)F ZINC001465990574 1396728621 /nfs/dbraw/zinc/72/86/21/1396728621.db2.gz NVKSJFBOZXESOH-HSZRJFAPSA-N 0 0 343.326 2.950 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncn3ccc(C)cc23)c1 ZINC001465992782 1396729555 /nfs/dbraw/zinc/72/95/55/1396729555.db2.gz MKZVCIFXVOHQPE-LBPRGKRZSA-N 0 0 325.368 2.848 10 10 EFCERN COc1cccc(CNC(=O)c2cn(C)nc2-c2ccc(C)o2)c1O ZINC001465993559 1396729560 /nfs/dbraw/zinc/72/95/60/1396729560.db2.gz SZJSUHBHTDIDET-UHFFFAOYSA-N 0 0 341.367 2.633 10 10 EFCERN Cn1c2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2oc1=O ZINC001466092513 1396737247 /nfs/dbraw/zinc/73/72/47/1396737247.db2.gz URCCGRPGCDDRSD-UHFFFAOYSA-N 0 0 339.311 2.546 10 10 EFCERN COC(=O)[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)c(F)c1 ZINC001466155155 1396742319 /nfs/dbraw/zinc/74/23/19/1396742319.db2.gz QBHPJUFXDMNEHQ-GFCCVEGCSA-N 0 0 343.763 2.890 10 10 EFCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC001466532872 1396760237 /nfs/dbraw/zinc/76/02/37/1396760237.db2.gz NABLHDCAVHYPSJ-AWEZNQCLSA-N 0 0 330.340 2.816 10 10 EFCERN CC(=O)c1nc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)sc1C ZINC001466606453 1396764296 /nfs/dbraw/zinc/76/42/96/1396764296.db2.gz ITQHTVLXCUFFDP-QMMMGPOBSA-N 0 0 349.412 2.818 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001466790540 1396785232 /nfs/dbraw/zinc/78/52/32/1396785232.db2.gz IDBXAFTWMVEFHD-FPMFFAJLSA-N 0 0 349.427 2.513 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1N ZINC001466790038 1396785442 /nfs/dbraw/zinc/78/54/42/1396785442.db2.gz AIKAECUXFREFIJ-QMMMGPOBSA-N 0 0 338.766 2.834 10 10 EFCERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467400452 1396850119 /nfs/dbraw/zinc/85/01/19/1396850119.db2.gz JRNOYOQQZOVTJT-OAHLLOKOSA-N 0 0 340.387 2.950 10 10 EFCERN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001467734798 1396890019 /nfs/dbraw/zinc/89/00/19/1396890019.db2.gz GXAKTMUZTKMHTK-CYBMUJFWSA-N 0 0 344.386 2.517 10 10 EFCERN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1 ZINC001467962211 1396915091 /nfs/dbraw/zinc/91/50/91/1396915091.db2.gz BZGAJNQJIMQQCV-CQSZACIVSA-N 0 0 345.395 2.925 10 10 EFCERN CN(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001468145680 1396928890 /nfs/dbraw/zinc/92/88/90/1396928890.db2.gz QEGLBHDDRWYGNC-VQHVLOKHSA-N 0 0 341.367 2.843 10 10 EFCERN O=C(Nc1cccc2n[nH]nc21)c1cc2cc(O)c(O)cc2s1 ZINC001468250880 1396939136 /nfs/dbraw/zinc/93/91/36/1396939136.db2.gz XKAZFEUTHHFBFD-UHFFFAOYSA-N 0 0 326.337 2.836 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1Cc2c[nH]nc2C1 ZINC001468306230 1396942830 /nfs/dbraw/zinc/94/28/30/1396942830.db2.gz JAWYBUSXKGURHG-UHFFFAOYSA-N 0 0 334.379 2.786 10 10 EFCERN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@](C)(C(F)(F)F)O1 ZINC001468447053 1396959080 /nfs/dbraw/zinc/95/90/80/1396959080.db2.gz PEFJCWKDBGMMOV-OAHLLOKOSA-N 0 0 347.333 2.599 10 10 EFCERN Cc1cc(Br)oc1C(=O)NCc1ccc(O)cc1O ZINC001469159804 1397006397 /nfs/dbraw/zinc/00/63/97/1397006397.db2.gz NWOSGTKXXZADDZ-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc(Oc2ccccc2)cn1 ZINC001469158614 1397006951 /nfs/dbraw/zinc/00/69/51/1397006951.db2.gz DQRBDMXSZKACDK-UHFFFAOYSA-N 0 0 337.335 2.610 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(F)c3N)C2)cc1 ZINC001469281089 1397017478 /nfs/dbraw/zinc/01/74/78/1397017478.db2.gz WZNQTRFFGOJLGG-ZDUSSCGKSA-N 0 0 343.402 2.673 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)CN(C)c2ccccc2)cc1 ZINC001469805460 1397055807 /nfs/dbraw/zinc/05/58/07/1397055807.db2.gz MNJHNENBLHIVLP-UHFFFAOYSA-N 0 0 341.455 2.726 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2CCC[C@@H]2O)ccc1C ZINC001470631727 1397104191 /nfs/dbraw/zinc/10/41/91/1397104191.db2.gz NDXATSBJPMPILI-HKUYNNGSSA-N 0 0 340.423 2.858 10 10 EFCERN Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001471017739 1397133832 /nfs/dbraw/zinc/13/38/32/1397133832.db2.gz MLOACBQGRGRFPF-UHFFFAOYSA-N 0 0 339.355 2.655 10 10 EFCERN Cc1cc(CNC(=O)N2CCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001471037251 1397135370 /nfs/dbraw/zinc/13/53/70/1397135370.db2.gz LSKFJTDCXCANMN-SFHVURJKSA-N 0 0 327.428 2.760 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1S(C)(=O)=O ZINC001471194955 1397149551 /nfs/dbraw/zinc/14/95/51/1397149551.db2.gz RBTBUDZCSLOHGZ-LBPRGKRZSA-N 0 0 333.409 2.595 10 10 EFCERN COc1ccc(-c2n[nH]cc2C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001471355753 1397164082 /nfs/dbraw/zinc/16/40/82/1397164082.db2.gz UFGQUMGUKLLXFS-UHFFFAOYSA-N 0 0 335.363 2.947 10 10 EFCERN COc1cccc(CNC(=O)NCc2c(F)cccc2OC)c1O ZINC001471462334 1397174456 /nfs/dbraw/zinc/17/44/56/1397174456.db2.gz FDNQQGNOQFODBC-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN CNc1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC001546187821 1397187183 /nfs/dbraw/zinc/18/71/83/1397187183.db2.gz AJNMPPMWBWILEL-UHFFFAOYSA-N 0 0 340.427 2.531 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cnc2c(Cl)cccc2c1O ZINC001471642269 1397191005 /nfs/dbraw/zinc/19/10/05/1397191005.db2.gz QGMVRTYZIZUKQX-UHFFFAOYSA-N 0 0 344.754 2.523 10 10 EFCERN Cc1cc(CO)cc(C)c1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001471949358 1397225325 /nfs/dbraw/zinc/22/53/25/1397225325.db2.gz YAGDJCIAHDHUBG-GQCTYLIASA-N 0 0 327.380 2.537 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001471975402 1397230004 /nfs/dbraw/zinc/23/00/04/1397230004.db2.gz YLXUFGBLWUYZHH-UHFFFAOYSA-N 0 0 345.330 2.944 10 10 EFCERN O=C(NCc1c(O)cccc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001472063443 1397242163 /nfs/dbraw/zinc/24/21/63/1397242163.db2.gz KWCVZWOSMUWFTD-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN CCO[C@H](C(=O)NCc1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC001472085267 1397245267 /nfs/dbraw/zinc/24/52/67/1397245267.db2.gz OACSQIZGIAYEMG-KSSFIOAISA-N 0 0 329.396 2.603 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 ZINC001473612965 1397316060 /nfs/dbraw/zinc/31/60/60/1397316060.db2.gz DKBOLTSTOHRRRR-QAPCUYQASA-N 0 0 334.460 2.843 10 10 EFCERN C[C@@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccccc1O ZINC001473723172 1397324978 /nfs/dbraw/zinc/32/49/78/1397324978.db2.gz ZYUJCBHJMNSZKF-LLVKDONJSA-N 0 0 348.403 2.651 10 10 EFCERN COC(=O)[C@@H]1Cc2ccc(O)cc2CN1Cc1ccc(N(C)C)cc1 ZINC001473882721 1397343729 /nfs/dbraw/zinc/34/37/29/1397343729.db2.gz YHQDOVGCVOZUPY-IBGZPJMESA-N 0 0 340.423 2.558 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCn3c(C)nnc3[C@H]2C)c1O ZINC001473904894 1397349274 /nfs/dbraw/zinc/34/92/74/1397349274.db2.gz ABXIWBRQTNCISH-SECBINFHSA-N 0 0 334.807 2.725 10 10 EFCERN Cc1ocnc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478336590 1397575795 /nfs/dbraw/zinc/57/57/95/1397575795.db2.gz WQRSQJAREPDFES-UHFFFAOYSA-N 0 0 328.416 2.925 10 10 EFCERN C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C(C)(C)C ZINC001495573010 1400090860 /nfs/dbraw/zinc/09/08/60/1400090860.db2.gz RNYBXROBYHVDLM-LLVKDONJSA-N 0 0 347.419 2.520 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCOC1 ZINC001498676417 1402237387 /nfs/dbraw/zinc/23/73/87/1402237387.db2.gz XPIKXQUXDCFVMP-AWEZNQCLSA-N 0 0 330.432 2.609 10 10 EFCERN CCc1nnc(N(C)CCOC)n1Cc1ccc(N(CC)CC)cc1 ZINC001498731209 1402256231 /nfs/dbraw/zinc/25/62/31/1402256231.db2.gz ONDJFKLDSUWNIL-UHFFFAOYSA-N 0 0 345.491 2.818 10 10 EFCERN CCOCc1nnc(N(C)CC)n1Cc1ccc(N(C)C)cc1C ZINC001503012461 1404459002 /nfs/dbraw/zinc/45/90/02/1404459002.db2.gz RUUYRIBAWHSVLD-UHFFFAOYSA-N 0 0 331.464 2.693 10 10 EFCERN COC[C@@H](F)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001504608262 1404520874 /nfs/dbraw/zinc/52/08/74/1404520874.db2.gz MIMVWGPDTGTFBT-HNNXBMFYSA-N 0 0 348.422 2.557 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)C(C)C ZINC001513799488 1413647166 /nfs/dbraw/zinc/64/71/66/1413647166.db2.gz WXDNDYWOIOVOTD-GOSISDBHSA-N 0 0 332.448 2.590 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1C1CC1 ZINC001554174942 1415012979 /nfs/dbraw/zinc/01/29/79/1415012979.db2.gz FIGWLHGARUHIHC-UHFFFAOYSA-N 0 0 335.411 2.941 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCCCO ZINC001554175739 1415013011 /nfs/dbraw/zinc/01/30/11/1415013011.db2.gz VITWUNFBAIYSTK-UHFFFAOYSA-N 0 0 330.432 2.660 10 10 EFCERN CN1Cc2ccccc2[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556095342 1415053362 /nfs/dbraw/zinc/05/33/62/1415053362.db2.gz PUPJVBBWAZZARU-MRXNPFEDSA-N 0 0 337.383 2.766 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-c2ccccc2)n1 ZINC001556157496 1415056591 /nfs/dbraw/zinc/05/65/91/1415056591.db2.gz CPPWLUIBJHMRSL-ZDUSSCGKSA-N 0 0 349.390 2.916 10 10 EFCERN C[C@H](NC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccc(N(C)C)cc1 ZINC001556260153 1415060550 /nfs/dbraw/zinc/06/05/50/1415060550.db2.gz BUAMEFOLZFMRNM-NSHDSACASA-N 0 0 341.440 2.575 10 10 EFCERN C[C@@H](NC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccc(N(C)C)cc1 ZINC001556260152 1415060693 /nfs/dbraw/zinc/06/06/93/1415060693.db2.gz BUAMEFOLZFMRNM-LLVKDONJSA-N 0 0 341.440 2.575 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001556278834 1415061516 /nfs/dbraw/zinc/06/15/16/1415061516.db2.gz HYRZUBVSSPVOOP-ZWKOTPCHSA-N 0 0 340.423 2.796 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSC[C@H]1CCCCO1 ZINC001556515858 1415074157 /nfs/dbraw/zinc/07/41/57/1415074157.db2.gz PMLBUDQCVIHWBB-CYBMUJFWSA-N 0 0 344.473 2.796 10 10 EFCERN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 ZINC001556663193 1415081374 /nfs/dbraw/zinc/08/13/74/1415081374.db2.gz BWGBLQIFPHWSBM-UHFFFAOYSA-N 0 0 325.372 2.952 10 10 EFCERN CO[C@@](C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001556682656 1415081792 /nfs/dbraw/zinc/08/17/92/1415081792.db2.gz GULFMEWENYAPED-JQYPEGPJSA-N 0 0 327.380 2.789 10 10 EFCERN O=C(NCc1c(Cl)cccc1-n1ccnc1)c1cccc(O)c1O ZINC001556746684 1415086264 /nfs/dbraw/zinc/08/62/64/1415086264.db2.gz LHBMQSBFWCKVFA-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1 ZINC001556807627 1415089467 /nfs/dbraw/zinc/08/94/67/1415089467.db2.gz LXCVHBGFXVBLCM-AWEZNQCLSA-N 0 0 332.404 2.768 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ncn(C)n2)ccc1C ZINC001556821279 1415090179 /nfs/dbraw/zinc/09/01/79/1415090179.db2.gz WYBRKNWDGZRYSX-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN COc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)co1 ZINC001556879618 1415093259 /nfs/dbraw/zinc/09/32/59/1415093259.db2.gz SVFMRKORMIMUIQ-UHFFFAOYSA-N 0 0 335.323 2.645 10 10 EFCERN C[C@@H]1COCCN1c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001556878134 1415093279 /nfs/dbraw/zinc/09/32/79/1415093279.db2.gz XDNAATBQSVATOK-CYBMUJFWSA-N 0 0 342.395 2.504 10 10 EFCERN CC(C)c1noc2ncc(C(=O)NCc3ccc(O)cc3O)cc21 ZINC001557084669 1415103599 /nfs/dbraw/zinc/10/35/99/1415103599.db2.gz JOKNPDNARGPRMM-UHFFFAOYSA-N 0 0 327.340 2.687 10 10 EFCERN O=C(COCCc1ccccc1)NCc1ccc2cccnc2c1O ZINC001557121942 1415106127 /nfs/dbraw/zinc/10/61/27/1415106127.db2.gz DEVAUDCSHPVWGH-UHFFFAOYSA-N 0 0 336.391 2.816 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(NC2CC2)nc1 ZINC001557122378 1415106140 /nfs/dbraw/zinc/10/61/40/1415106140.db2.gz HXUFHYIFEVDELS-UHFFFAOYSA-N 0 0 334.379 2.840 10 10 EFCERN CN1CCOc2ccc(C(=O)NCc3ccc4cccnc4c3O)cc21 ZINC001557121954 1415106210 /nfs/dbraw/zinc/10/62/10/1415106210.db2.gz DJYWCQZMYABOEM-UHFFFAOYSA-N 0 0 349.390 2.699 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2cccnc2c1O ZINC001557123566 1415106859 /nfs/dbraw/zinc/10/68/59/1415106859.db2.gz QPDHDAYQQFCNKC-YWEYNIOJSA-N 0 0 336.347 2.681 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2cccc(O)c21 ZINC001557122844 1415107256 /nfs/dbraw/zinc/10/72/56/1415107256.db2.gz JZRZVFOEOVDGTE-OAHLLOKOSA-N 0 0 334.375 2.992 10 10 EFCERN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(C(N)=O)c1 ZINC001557170148 1415110077 /nfs/dbraw/zinc/11/00/77/1415110077.db2.gz NOBPHYWEVSIWOO-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(O)ccc2C)cc1 ZINC001557357054 1415122780 /nfs/dbraw/zinc/12/27/80/1415122780.db2.gz SRGAKFKYAKHUOQ-UHFFFAOYSA-N 0 0 328.412 2.918 10 10 EFCERN C[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)c1ccccc1O ZINC001557969033 1415152960 /nfs/dbraw/zinc/15/29/60/1415152960.db2.gz QCTPMFBRNUQFTI-IINYFYTJSA-N 0 0 328.343 2.520 10 10 EFCERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1CCC(C)C ZINC001558175370 1415164666 /nfs/dbraw/zinc/16/46/66/1415164666.db2.gz OASBZHPWTBXGLR-UHFFFAOYSA-N 0 0 331.416 2.833 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccnc1OCC(F)F ZINC001558454547 1415180478 /nfs/dbraw/zinc/18/04/78/1415180478.db2.gz IOGAGGHSHYPHRK-UHFFFAOYSA-N 0 0 326.274 2.500 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc(-c2ccncc2)s1 ZINC001558534919 1415187254 /nfs/dbraw/zinc/18/72/54/1415187254.db2.gz ZZBFMDNFKLSYDZ-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN C[C@H](NC(=O)c1ccco1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554173 1415188246 /nfs/dbraw/zinc/18/82/46/1415188246.db2.gz FAPVAXQKDHSPAE-LBPRGKRZSA-N 0 0 338.363 2.573 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc2nc[nH]c(=O)c21 ZINC001558757568 1415199945 /nfs/dbraw/zinc/19/99/45/1415199945.db2.gz KCHZMAWGPQWKHR-UHFFFAOYSA-N 0 0 329.743 2.624 10 10 EFCERN CN(C)C(=O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001559071890 1415222544 /nfs/dbraw/zinc/22/25/44/1415222544.db2.gz GJWYOIGJTXPYPB-UHFFFAOYSA-N 0 0 341.367 2.716 10 10 EFCERN Nc1nc(Cl)c(N)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC001559154321 1415227262 /nfs/dbraw/zinc/22/72/62/1415227262.db2.gz YRRGHWSMPFAMMH-UHFFFAOYSA-N 0 0 337.214 2.637 10 10 EFCERN Cc1cc(CCNc2cc(=O)n(C)c(=O)[nH]2)c(C)n1-c1ccccc1 ZINC001559250937 1415233273 /nfs/dbraw/zinc/23/32/73/1415233273.db2.gz UXTWFQVBWITGDH-UHFFFAOYSA-N 0 0 338.411 2.548 10 10 EFCERN CCOC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC001559613288 1415251667 /nfs/dbraw/zinc/25/16/67/1415251667.db2.gz CPOWUPNSUSUDGO-UHFFFAOYSA-N 0 0 346.471 2.879 10 10 EFCERN COC(=O)c1ccc(OC)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC001559657035 1415252269 /nfs/dbraw/zinc/25/22/69/1415252269.db2.gz SIHJRWKFMBAJAR-UHFFFAOYSA-N 0 0 329.352 2.847 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@H]1CSc2ccccc2O1 ZINC001564980879 1415386819 /nfs/dbraw/zinc/38/68/19/1415386819.db2.gz PTUCUDOWFROFAC-ZDUSSCGKSA-N 0 0 330.409 2.745 10 10 EFCERN CCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001565621856 1415407610 /nfs/dbraw/zinc/40/76/10/1415407610.db2.gz PNBZRGSIKLKYFU-LBPRGKRZSA-N 0 0 339.395 2.887 10 10 EFCERN O=C(N[C@@H](CO)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001566309032 1415539592 /nfs/dbraw/zinc/53/95/92/1415539592.db2.gz KTPMUTUDUMCJSU-LBPRGKRZSA-N 0 0 329.377 2.776 10 10 EFCERN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC001566359321 1415542974 /nfs/dbraw/zinc/54/29/74/1415542974.db2.gz ZDCLPRORAVWDPO-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(C)c1 ZINC001566359571 1415543058 /nfs/dbraw/zinc/54/30/58/1415543058.db2.gz GYBUVZYVKHYAOO-UHFFFAOYSA-N 0 0 330.340 2.515 10 10 EFCERN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1CO ZINC001566372988 1415543576 /nfs/dbraw/zinc/54/35/76/1415543576.db2.gz SSJUJIKXWBBNNM-UHFFFAOYSA-N 0 0 328.328 2.602 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2nn(C)c3ccccc23)c1 ZINC001566374265 1415544363 /nfs/dbraw/zinc/54/43/63/1415544363.db2.gz BBXHQIHRXRTLPS-LLVKDONJSA-N 0 0 325.368 2.779 10 10 EFCERN Cc1cc(C(=O)N2CCSC[C@H]2CO)c(C)n1-c1ccccc1C ZINC001566499518 1415589692 /nfs/dbraw/zinc/58/96/92/1415589692.db2.gz TZJKDFIIRUVHDV-MRXNPFEDSA-N 0 0 344.480 2.952 10 10 EFCERN CN(Cc1ncc(Cl)n1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566855426 1415800983 /nfs/dbraw/zinc/80/09/83/1415800983.db2.gz AWWYQYJBWDRCLT-UHFFFAOYSA-N 0 0 334.767 2.508 10 10 EFCERN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566871225 1415812835 /nfs/dbraw/zinc/81/28/35/1415812835.db2.gz WVVCWEXEQZJOKG-BBATYDOGSA-N 0 0 333.359 2.672 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCC3(C2)OCCO3)c(C)n1-c1ccccn1 ZINC001566944269 1415861386 /nfs/dbraw/zinc/86/13/86/1415861386.db2.gz BHFQVAWQJSHVBL-HNNXBMFYSA-N 0 0 341.411 2.515 10 10 EFCERN Cc1cc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1C ZINC001567037531 1415909325 /nfs/dbraw/zinc/90/93/25/1415909325.db2.gz SMSCPEALRVRNMM-AEFFLSMTSA-N 0 0 342.439 2.530 10 10 EFCERN O=C(NCc1nc2cccnc2[nH]1)c1cc2cc(O)c(O)cc2s1 ZINC001567771307 1416278994 /nfs/dbraw/zinc/27/89/94/1416278994.db2.gz HVTOBFUUMNJLNP-UHFFFAOYSA-N 0 0 340.364 2.514 10 10 EFCERN C[C@H](NC(=O)c1cccc2nc[nH]c(=O)c21)c1ccc(N(C)C)cc1 ZINC001567777399 1416281906 /nfs/dbraw/zinc/28/19/06/1416281906.db2.gz VUGCZXNOBXFLAT-LBPRGKRZSA-N 0 0 336.395 2.892 10 10 EFCERN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cccc(O)c1O ZINC001567834963 1416293773 /nfs/dbraw/zinc/29/37/73/1416293773.db2.gz LQANBDASNJKLQW-UHFFFAOYSA-N 0 0 325.368 2.650 10 10 EFCERN COc1ccc(CNC(=O)c2cccc(C(F)(F)F)n2)c(O)c1 ZINC001568097363 1416408773 /nfs/dbraw/zinc/40/87/73/1416408773.db2.gz HRNPYCFLUHJKBF-UHFFFAOYSA-N 0 0 326.274 2.745 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](CO)[C@@H]3C)c2C)cc1 ZINC001568204348 1416440312 /nfs/dbraw/zinc/44/03/12/1416440312.db2.gz ZAIUCSLFRYIUGX-GOEBONIOSA-N 0 0 342.439 2.946 10 10 EFCERN CCC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001568231262 1416449301 /nfs/dbraw/zinc/44/93/01/1416449301.db2.gz KFRHZHMVQRAKIU-GFCCVEGCSA-N 0 0 334.376 2.558 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccn(-c2ccc(F)cc2F)n1 ZINC001646033714 1416604127 /nfs/dbraw/zinc/60/41/27/1416604127.db2.gz BZFZCGFONWCYPK-UHFFFAOYSA-N 0 0 347.296 2.925 10 10 EFCERN CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(Br)cc1 ZINC001646177970 1416625977 /nfs/dbraw/zinc/62/59/77/1416625977.db2.gz VPSBGUXQFUHGNU-UHFFFAOYSA-N 0 0 346.184 2.615 10 10 EFCERN CC[C@]1(O)CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001683424561 1416680794 /nfs/dbraw/zinc/68/07/94/1416680794.db2.gz FMBDQPAEYJYJDJ-UZLBHIALSA-N 0 0 347.503 2.939 10 10 EFCERN O=C(NCCc1ccc2c[nH]nc2c1)NCc1cccc(Cl)c1O ZINC001686441108 1416800031 /nfs/dbraw/zinc/80/00/31/1416800031.db2.gz COZPDBKRRHTZGM-UHFFFAOYSA-N 0 0 344.802 2.964 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC001686826970 1416810938 /nfs/dbraw/zinc/81/09/38/1416810938.db2.gz UEHADKXQPRNHTA-JTOWHCCKSA-N 0 0 333.476 2.857 10 10 EFCERN CCc1noc([C@@H]2CC[C@H](NC(=O)NCc3cc(C)ccc3O)C2)n1 ZINC001687745020 1416871873 /nfs/dbraw/zinc/87/18/73/1416871873.db2.gz BRNBSSDOMFPQBJ-OCCSQVGLSA-N 0 0 344.415 2.782 10 10 EFCERN CC[C@@H](C)CC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001720907164 1423293387 /nfs/dbraw/zinc/29/33/87/1423293387.db2.gz UWTVPHIEELWZRK-VXGBXAGGSA-N 0 0 347.419 2.520 10 10 EFCERN CCCCC(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001721134557 1423481596 /nfs/dbraw/zinc/48/15/96/1423481596.db2.gz SYIUUXRNGJUZKB-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN COc1cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000825411980 1446085149 /nfs/dbraw/zinc/08/51/49/1446085149.db2.gz ANQMYVWKHINMFL-UHFFFAOYSA-N 0 0 345.447 2.771 10 10 EFCERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2CCC(C)CC2)c1 ZINC000866842218 712911608 /nfs/dbraw/zinc/91/16/08/712911608.db2.gz UUVOGPKRTWENPY-MBHSVXNSSA-N 0 0 327.446 2.960 10 10 EFCERN C[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000806168538 713408414 /nfs/dbraw/zinc/40/84/14/713408414.db2.gz QCLDHVRFQXHDFO-ZETCQYMHSA-N 0 0 345.628 2.787 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000804687068 713416833 /nfs/dbraw/zinc/41/68/33/713416833.db2.gz GRPUFDUOBJDMCX-HWKANZROSA-N 0 0 346.383 2.788 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000804707892 713439938 /nfs/dbraw/zinc/43/99/38/713439938.db2.gz IGDQNXQFDAJKDJ-HEWZJLJBSA-N 0 0 348.399 2.912 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ncc(F)cc1F ZINC000804732834 713454541 /nfs/dbraw/zinc/45/45/41/713454541.db2.gz DCZNXOGVUGDTKN-UHFFFAOYSA-N 0 0 343.127 2.758 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cn2ccccc2n1 ZINC000804733035 713454755 /nfs/dbraw/zinc/45/47/55/713454755.db2.gz BRSZVIMDAQARQO-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(C[C@H]1CCCC[C@@H]1O)NCc1cc(Br)ccc1O ZINC000804733712 713454843 /nfs/dbraw/zinc/45/48/43/713454843.db2.gz YAVWYCPBMSNJJZ-MFKMUULPSA-N 0 0 342.233 2.712 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc2[nH]cnc21 ZINC000804735570 713455280 /nfs/dbraw/zinc/45/52/80/713455280.db2.gz ABOOANKPGJZCAD-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN Cc1noc(C)c1CC(=O)NCc1cc(Br)ccc1O ZINC000804735922 713455415 /nfs/dbraw/zinc/45/54/15/713455415.db2.gz LIOAIANDHJZJSZ-UHFFFAOYSA-N 0 0 339.189 2.618 10 10 EFCERN O=C(COc1ccccc1)NCc1cc(Br)ccc1O ZINC000804733995 713455529 /nfs/dbraw/zinc/45/55/29/713455529.db2.gz UZZXMLJDQSOZHG-UHFFFAOYSA-N 0 0 336.185 2.850 10 10 EFCERN CCCCO[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735119 713455921 /nfs/dbraw/zinc/45/59/21/713455921.db2.gz LSWYFYRNPCELJD-SNVBAGLBSA-N 0 0 330.222 2.976 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc(F)nc1 ZINC000804736696 713456058 /nfs/dbraw/zinc/45/60/58/713456058.db2.gz ZJVPCRNMHRXWAX-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738161 713456535 /nfs/dbraw/zinc/45/65/35/713456535.db2.gz FFVKMRWZAGHJBN-NOZJJQNGSA-N 0 0 340.217 2.776 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1(c2cccnc2)CC1 ZINC000804739399 713456578 /nfs/dbraw/zinc/45/65/78/713456578.db2.gz FKFSRBGUZLVUGR-UHFFFAOYSA-N 0 0 347.212 2.898 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H](O)C1CCCCC1 ZINC000804741559 713457171 /nfs/dbraw/zinc/45/71/71/713457171.db2.gz ZTGGWKKQJJDXRA-AWEZNQCLSA-N 0 0 342.233 2.712 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccon1 ZINC000120992376 713666804 /nfs/dbraw/zinc/66/68/04/713666804.db2.gz GWRRDGYNBPACJR-UHFFFAOYSA-N 0 0 339.189 2.734 10 10 EFCERN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000891245549 714131869 /nfs/dbraw/zinc/13/18/69/714131869.db2.gz GJDMEHKYOIDIJZ-WDSOQIARSA-N 0 0 329.488 2.908 10 10 EFCERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000160729222 714450642 /nfs/dbraw/zinc/45/06/42/714450642.db2.gz SUNVILXFDDYDON-UHFFFAOYSA-N 0 0 341.367 2.992 10 10 EFCERN COc1ccc(N2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000068678569 714532001 /nfs/dbraw/zinc/53/20/01/714532001.db2.gz HQRBWCSKZDXZJU-APWZRJJASA-N 0 0 345.487 2.512 10 10 EFCERN CC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)S1(=O)=O ZINC000840946821 717983371 /nfs/dbraw/zinc/98/33/71/717983371.db2.gz VRTAJLKLCFYQCU-NEPJUHHUSA-N 0 0 331.865 2.752 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000175978714 714916903 /nfs/dbraw/zinc/91/69/03/714916903.db2.gz CXPDCWNSZCHUIV-AEFFLSMTSA-N 0 0 333.476 2.883 10 10 EFCERN C[C@H](N1CCN(Cc2cc3c(cc2O)CCC3)CC1)C(F)(F)F ZINC000176070487 715106260 /nfs/dbraw/zinc/10/62/60/715106260.db2.gz OELDZMLZBSBQCZ-LBPRGKRZSA-N 0 0 328.378 2.949 10 10 EFCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000161181208 715370172 /nfs/dbraw/zinc/37/01/72/715370172.db2.gz LOGHILPCMPQZDE-NSHDSACASA-N 0 0 339.388 2.888 10 10 EFCERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000161181354 715370409 /nfs/dbraw/zinc/37/04/09/715370409.db2.gz LOGHILPCMPQZDE-LLVKDONJSA-N 0 0 339.388 2.888 10 10 EFCERN COC(C)(C)[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000925515414 719807569 /nfs/dbraw/zinc/80/75/69/719807569.db2.gz IBPDCCQWLHPWCB-VIFPVBQESA-N 0 0 345.237 2.767 10 10 EFCERN CCc1ccccc1NC(=O)CN(C)Cc1cc2c(cc1O)OCO2 ZINC000119904388 715823365 /nfs/dbraw/zinc/82/33/65/715823365.db2.gz HYGHVVLNVBINOH-UHFFFAOYSA-N 0 0 342.395 2.754 10 10 EFCERN COC[C@@H](O)CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC000178731684 715931546 /nfs/dbraw/zinc/93/15/46/715931546.db2.gz WXURPYJNMWYPGG-HNNXBMFYSA-N 0 0 349.452 2.842 10 10 EFCERN O=C([O-])/C=C/c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000327353087 715969595 /nfs/dbraw/zinc/96/95/95/715969595.db2.gz MGSDHLBQNBFJAF-SOFGYWHQSA-N 0 0 345.399 2.757 10 10 EFCERN CCCCN1CC(=O)N[C@H]1c1cc(C)cc(Br)c1O ZINC000781553946 716129250 /nfs/dbraw/zinc/12/92/50/716129250.db2.gz FNUXQEAOEHVUAS-CQSZACIVSA-N 0 0 327.222 2.694 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000781908659 716422804 /nfs/dbraw/zinc/42/28/04/716422804.db2.gz KUBKPSBZADFKSS-BFKGZMGPSA-N 0 0 346.290 2.804 10 10 EFCERN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000162183307 716736631 /nfs/dbraw/zinc/73/66/31/716736631.db2.gz HDOLMUUQUPBGEZ-UHFFFAOYSA-N 0 0 340.423 2.884 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000176989959 717337886 /nfs/dbraw/zinc/33/78/86/717337886.db2.gz DWEWYYKBGDTUAY-UHFFFAOYSA-N 0 0 326.824 2.595 10 10 EFCERN COc1ccc2c(c1)CC[C@H](C(=O)NCc1c(O)cccc1F)C2 ZINC000928710442 724587228 /nfs/dbraw/zinc/58/72/28/724587228.db2.gz LZZLNLRMGSHXSC-AWEZNQCLSA-N 0 0 329.371 2.961 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c1 ZINC000925858572 719857854 /nfs/dbraw/zinc/85/78/54/719857854.db2.gz XLIVEGCRVJNBKZ-MEBBXXQBSA-N 0 0 346.349 2.514 10 10 EFCERN CC(C)c1noc2ncc(C(=O)NCc3ccc(O)c(O)c3)cc21 ZINC000182512507 720142072 /nfs/dbraw/zinc/14/20/72/720142072.db2.gz YNUVYPIUZHZVKZ-UHFFFAOYSA-N 0 0 327.340 2.687 10 10 EFCERN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000893962899 720176832 /nfs/dbraw/zinc/17/68/32/720176832.db2.gz VWTQTTAQQUUXFK-UHFFFAOYSA-N 0 0 334.370 2.588 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894034325 720234743 /nfs/dbraw/zinc/23/47/43/720234743.db2.gz REDGCFCTIQSHGQ-OCCSQVGLSA-N 0 0 348.418 2.839 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894034326 720234931 /nfs/dbraw/zinc/23/49/31/720234931.db2.gz REDGCFCTIQSHGQ-TZMCWYRMSA-N 0 0 348.418 2.839 10 10 EFCERN C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCO)C1=O ZINC000222274754 720310973 /nfs/dbraw/zinc/31/09/73/720310973.db2.gz SNBNMNKXZNZUNT-RSYJBZMQSA-N 0 0 333.434 2.587 10 10 EFCERN CCO/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000840587469 720406338 /nfs/dbraw/zinc/40/63/38/720406338.db2.gz JRYBQDOXWZGQKD-BQYQJAHWSA-N 0 0 346.358 2.904 10 10 EFCERN CCN(Cc1c(O)cc(C)cc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000840915955 720939572 /nfs/dbraw/zinc/93/95/72/720939572.db2.gz UQVZDSWTWSYRGE-LBPRGKRZSA-N 0 0 333.881 2.999 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(C(F)(F)F)n1 ZINC000193785766 720951895 /nfs/dbraw/zinc/95/18/95/720951895.db2.gz HXPPPUPIZCMMIP-ZETCQYMHSA-N 0 0 346.330 2.934 10 10 EFCERN CC[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC000925686425 720962218 /nfs/dbraw/zinc/96/22/18/720962218.db2.gz TYMJOAICGRUNSP-GFCCVEGCSA-N 0 0 334.416 2.785 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1snnc1C(C)(C)C ZINC000194470441 721027224 /nfs/dbraw/zinc/02/72/24/721027224.db2.gz LTGYVGZKIFSAST-SECBINFHSA-N 0 0 335.429 2.608 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000178846104 721121893 /nfs/dbraw/zinc/12/18/93/721121893.db2.gz RIRLFANLYKOGSO-KRWDZBQOSA-N 0 0 327.428 2.595 10 10 EFCERN COC(=O)c1cnc(CNCc2ccc3c(c2)CCCN3C)s1 ZINC000894209461 721218376 /nfs/dbraw/zinc/21/83/76/721218376.db2.gz SDMVGVPZBVQDNL-UHFFFAOYSA-N 0 0 331.441 2.602 10 10 EFCERN Cc1cc(CC(=O)N2CCCn3nncc3C2)c(C)n1-c1ccccc1 ZINC000894243967 721705870 /nfs/dbraw/zinc/70/58/70/721705870.db2.gz SNYXMVJELUHKOW-UHFFFAOYSA-N 0 0 349.438 2.661 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928134617 721978980 /nfs/dbraw/zinc/97/89/80/721978980.db2.gz CTEXNMPQWMVITF-FXMSTWTQSA-N 0 0 333.331 2.617 10 10 EFCERN COC(=O)c1c(CN[C@H](C)c2nc(C)no2)c2cc(F)ccc2n1C ZINC000894541274 722776677 /nfs/dbraw/zinc/77/66/77/722776677.db2.gz AJNDUTKDGTXBGA-SECBINFHSA-N 0 0 346.362 2.646 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC(=O)[C@@H](C)C2)cc1F ZINC000917611348 728767700 /nfs/dbraw/zinc/76/77/00/728767700.db2.gz LJTUXKWILCKLQY-ZDUSSCGKSA-N 0 0 335.423 2.792 10 10 EFCERN COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000894781066 722846627 /nfs/dbraw/zinc/84/66/27/722846627.db2.gz NIJOFYOMJUXLFX-PSASIEDQSA-N 0 0 340.153 2.843 10 10 EFCERN COC(=O)c1c(CNCc2snnc2C)c2cc(F)ccc2n1C ZINC000894844409 722889918 /nfs/dbraw/zinc/88/99/18/722889918.db2.gz PDNQVJSKSVXYJY-UHFFFAOYSA-N 0 0 348.403 2.554 10 10 EFCERN Cc1ccn(-c2ccccc2CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000181220176 728780144 /nfs/dbraw/zinc/78/01/44/728780144.db2.gz KZJZYOQZAGDATN-VQHVLOKHSA-N 0 0 349.390 2.922 10 10 EFCERN COCCN(Cc1cc(C)nnc1C)c1ccc(OC)c(OC)c1 ZINC000929996762 728781368 /nfs/dbraw/zinc/78/13/68/728781368.db2.gz YHYNMZCGACOUQT-UHFFFAOYSA-N 0 0 331.416 2.764 10 10 EFCERN CCn1ccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)n1 ZINC000894990086 723043848 /nfs/dbraw/zinc/04/38/48/723043848.db2.gz CMLDLSGJSPHBCE-UHFFFAOYSA-N 0 0 344.390 2.610 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cncc2[nH]cnc21 ZINC000895940717 723065680 /nfs/dbraw/zinc/06/56/80/723065680.db2.gz XZROYFYWJVFKLM-UHFFFAOYSA-N 0 0 335.411 2.878 10 10 EFCERN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000895057342 723105738 /nfs/dbraw/zinc/10/57/38/723105738.db2.gz LKUHKFOPWMWULK-QGZVFWFLSA-N 0 0 341.398 2.718 10 10 EFCERN CN(CCNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)(F)F ZINC000896312737 723247707 /nfs/dbraw/zinc/24/77/07/723247707.db2.gz RNWABXKRBZVGPR-UHFFFAOYSA-N 0 0 348.346 2.536 10 10 EFCERN COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000896519757 723337314 /nfs/dbraw/zinc/33/73/14/723337314.db2.gz WKGVGOLIXQTPGQ-CYBMUJFWSA-N 0 0 337.397 2.630 10 10 EFCERN CC(C)(C)OC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896613729 723402021 /nfs/dbraw/zinc/40/20/21/723402021.db2.gz CJCSYURYJBCSIZ-UHFFFAOYSA-N 0 0 337.397 2.774 10 10 EFCERN COC(=O)c1cnc(CN(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000895136667 723428256 /nfs/dbraw/zinc/42/82/56/723428256.db2.gz FITMKFYIDLABFF-UHFFFAOYSA-N 0 0 349.456 2.507 10 10 EFCERN C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC000154627443 728826724 /nfs/dbraw/zinc/82/67/24/728826724.db2.gz XXVPQBVOMVZSAP-PIGZYNQJSA-N 0 0 335.359 2.968 10 10 EFCERN CCCN(CCC)c1ccc(CN[C@H](C)C2N=NC(=O)N2C)cc1 ZINC000895183302 723842189 /nfs/dbraw/zinc/84/21/89/723842189.db2.gz HXNAJAKZMCZTHG-CQSZACIVSA-N 0 0 331.464 2.998 10 10 EFCERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000896983469 723933171 /nfs/dbraw/zinc/93/31/71/723933171.db2.gz RLUOUIUZXLVWMO-JTNHKYCSSA-N 0 0 333.409 3.000 10 10 EFCERN O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc2cc(O)c(O)cc2s1 ZINC000897029561 723951625 /nfs/dbraw/zinc/95/16/25/723951625.db2.gz ANUIUQQBNATZOU-SNVBAGLBSA-N 0 0 329.381 2.843 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)[nH]n1 ZINC000897055150 723970225 /nfs/dbraw/zinc/97/02/25/723970225.db2.gz NRFBZLMKBSCDNX-QMMMGPOBSA-N 0 0 331.397 2.705 10 10 EFCERN O=C1N[C@H](c2ccc(N3CCOCC3)c(F)c2)Nc2cc(F)ccc21 ZINC000727463322 724055128 /nfs/dbraw/zinc/05/51/28/724055128.db2.gz JGQBACKBKOIBRP-QGZVFWFLSA-N 0 0 345.349 2.656 10 10 EFCERN COC(=O)c1c(CNc2cnn(CCF)c2)c2cc(F)ccc2n1C ZINC000895393736 724108947 /nfs/dbraw/zinc/10/89/47/724108947.db2.gz MMDWXFLAZNWTDY-UHFFFAOYSA-N 0 0 348.353 2.882 10 10 EFCERN COCc1ncc2c(n1)CCN(Cc1cc(Cl)cc(OC)c1O)C2 ZINC000895414711 724123759 /nfs/dbraw/zinc/12/37/59/724123759.db2.gz GCTBOJOCERMCCX-UHFFFAOYSA-N 0 0 349.818 2.549 10 10 EFCERN CC(C)COC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897262101 724145498 /nfs/dbraw/zinc/14/54/98/724145498.db2.gz IUMOIQGFVWFDAH-VIFPVBQESA-N 0 0 337.397 2.630 10 10 EFCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)(F)F ZINC000897268705 724159466 /nfs/dbraw/zinc/15/94/66/724159466.db2.gz PEECXEVESRJRSH-JMCQJSRRSA-N 0 0 349.330 2.744 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1OCCc2ccccc21 ZINC000918440084 728880353 /nfs/dbraw/zinc/88/03/53/728880353.db2.gz MTMGHFHLONRADV-KRWDZBQOSA-N 0 0 330.359 2.645 10 10 EFCERN COC(=O)[C@@H](CC1CCOCC1)NCc1c([O-])ccc(Cl)c1F ZINC000895588176 724209047 /nfs/dbraw/zinc/20/90/47/724209047.db2.gz AWGABJHJPFHZAL-CYBMUJFWSA-N 0 0 345.798 2.633 10 10 EFCERN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)c(C)cc1O ZINC000895593441 724219120 /nfs/dbraw/zinc/21/91/20/724219120.db2.gz SJIFAJAAEFWJRP-OAHLLOKOSA-N 0 0 341.835 2.802 10 10 EFCERN COC(=O)[C@H](CC1CCOCC1)NCc1cc(Cl)c(C)cc1O ZINC000895593440 724219147 /nfs/dbraw/zinc/21/91/47/724219147.db2.gz SJIFAJAAEFWJRP-HNNXBMFYSA-N 0 0 341.835 2.802 10 10 EFCERN COC(=O)[C@H](CC1CCOCC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895593661 724219408 /nfs/dbraw/zinc/21/94/08/724219408.db2.gz WXUORZSUFVSHRF-PXPVJAHISA-N 0 0 346.471 2.714 10 10 EFCERN O=C(NC1CCC2(CC1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000895757155 724300443 /nfs/dbraw/zinc/30/04/43/724300443.db2.gz RFRQCICYWCVTJS-UHFFFAOYSA-N 0 0 349.408 2.728 10 10 EFCERN O=C(NCCCCn1ccnc1)c1cc2cc(O)c(O)cc2s1 ZINC000895827297 724326405 /nfs/dbraw/zinc/32/64/05/724326405.db2.gz JQXSDCAEUJHTIS-UHFFFAOYSA-N 0 0 331.397 2.719 10 10 EFCERN CCN(CC)c1ccc(CN[C@H](C[C@@H]2CCCO2)C(=O)OC)cc1 ZINC000895861673 724344859 /nfs/dbraw/zinc/34/48/59/724344859.db2.gz GMNSEINGUPUKSC-ZWKOTPCHSA-N 0 0 334.460 2.733 10 10 EFCERN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000918643003 728905610 /nfs/dbraw/zinc/90/56/10/728905610.db2.gz HVSQMGSMMQQVEM-AWEZNQCLSA-N 0 0 344.386 2.868 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)c1 ZINC000728984185 724945049 /nfs/dbraw/zinc/94/50/49/724945049.db2.gz MYEKOPCSKYMMAJ-LLVKDONJSA-N 0 0 328.368 2.850 10 10 EFCERN Cc1ncc(Cl)c(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000740741638 725014910 /nfs/dbraw/zinc/01/49/10/725014910.db2.gz NMGARSBOQIIMKW-UHFFFAOYSA-N 0 0 330.819 2.969 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC3(CCC3)O2)c1 ZINC000918745186 728920141 /nfs/dbraw/zinc/92/01/41/728920141.db2.gz FMIBVEPFBXDFIH-OAHLLOKOSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000918745158 728920338 /nfs/dbraw/zinc/92/03/38/728920338.db2.gz DVWKMGJFCMZBDS-ZDUSSCGKSA-N 0 0 336.432 2.794 10 10 EFCERN COC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000174628587 725481459 /nfs/dbraw/zinc/48/14/59/725481459.db2.gz HLTDVKVPJCPDHX-OAHLLOKOSA-N 0 0 330.384 2.588 10 10 EFCERN COC[C@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000174628576 725481493 /nfs/dbraw/zinc/48/14/93/725481493.db2.gz HLTDVKVPJCPDHX-HNNXBMFYSA-N 0 0 330.384 2.588 10 10 EFCERN CC(C)C[C@H](NCC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726186 725837176 /nfs/dbraw/zinc/83/71/76/725837176.db2.gz JSIMUSLAKVNXEF-ZDUSSCGKSA-N 0 0 330.350 2.801 10 10 EFCERN C[C@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccccc1O ZINC000913763367 725853310 /nfs/dbraw/zinc/85/33/10/725853310.db2.gz DJYYPTUYVWSNLM-JTQLQIEISA-N 0 0 340.301 2.607 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000913926546 725953093 /nfs/dbraw/zinc/95/30/93/725953093.db2.gz GBEIXYLHVHPCBF-OCCSQVGLSA-N 0 0 345.365 2.519 10 10 EFCERN CCOc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1OC ZINC000914037861 725989725 /nfs/dbraw/zinc/98/97/25/725989725.db2.gz AECUZQQJLYWRFH-UHFFFAOYSA-N 0 0 348.374 2.938 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCC(C)(F)F ZINC000914119179 726057733 /nfs/dbraw/zinc/05/77/33/726057733.db2.gz GKLZOOAUTPCBQP-UHFFFAOYSA-N 0 0 334.432 2.916 10 10 EFCERN CO[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCSC1 ZINC000914180466 726155178 /nfs/dbraw/zinc/15/51/78/726155178.db2.gz NLDRQWWLERXUAX-GOSISDBHSA-N 0 0 349.500 2.608 10 10 EFCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729259599 726197874 /nfs/dbraw/zinc/19/78/74/726197874.db2.gz QBDBACVQJCSKNI-QGZVFWFLSA-N 0 0 341.455 2.934 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000914254636 726205200 /nfs/dbraw/zinc/20/52/00/726205200.db2.gz PFQAVSJPRGIHJF-SCTDSRPQSA-N 0 0 343.471 2.923 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729262654 726210673 /nfs/dbraw/zinc/21/06/73/726210673.db2.gz IAGFBAQGPPFRPR-MRXNPFEDSA-N 0 0 327.428 2.592 10 10 EFCERN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897447108 726213609 /nfs/dbraw/zinc/21/36/09/726213609.db2.gz BSGYOFVSXKSPJP-LBPRGKRZSA-N 0 0 349.330 2.698 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@]12C[C@@H]1CCCC2 ZINC000914336531 726250462 /nfs/dbraw/zinc/25/04/62/726250462.db2.gz ZZPHLQGHPDWLEW-FXAWDEMLSA-N 0 0 343.471 2.903 10 10 EFCERN COC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000914400703 726278315 /nfs/dbraw/zinc/27/83/15/726278315.db2.gz RLMMQJCGDDIOIC-HUUCEWRRSA-N 0 0 349.475 2.697 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCc1ccccc1O ZINC000907057849 726855892 /nfs/dbraw/zinc/85/58/92/726855892.db2.gz ZPRMWDXUPRBIJO-LZWOXQAQSA-N 0 0 346.427 2.511 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc(C)c2C(F)(F)F)c1 ZINC000907059346 726856158 /nfs/dbraw/zinc/85/61/58/726856158.db2.gz BKJKVEHMQPOGIQ-SSDOTTSWSA-N 0 0 343.305 2.942 10 10 EFCERN CCn1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C1CC1 ZINC000907272759 726900068 /nfs/dbraw/zinc/90/00/68/726900068.db2.gz IVXFLQXVGWNHBM-NSHDSACASA-N 0 0 329.400 2.553 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1ccc(N(C)C)cc1 ZINC000907494294 726954032 /nfs/dbraw/zinc/95/40/32/726954032.db2.gz YJXDHZNTHYNMPT-ACJLOTCBSA-N 0 0 338.411 2.518 10 10 EFCERN C[C@H](CO)N(CC1CCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907546324 726962972 /nfs/dbraw/zinc/96/29/72/726962972.db2.gz RKXHMRLFKLOVRT-SNVBAGLBSA-N 0 0 335.425 2.936 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccnn2C)cc1F ZINC000915366427 726963954 /nfs/dbraw/zinc/96/39/54/726963954.db2.gz OOUQAUWMCWEOMU-QGZVFWFLSA-N 0 0 345.422 2.672 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](c2ncccn2)C2CC2)cc1F ZINC000915365256 726963971 /nfs/dbraw/zinc/96/39/71/726963971.db2.gz CKTJJQONOLVHGR-INIZCTEOSA-N 0 0 343.406 2.632 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000915367206 726964543 /nfs/dbraw/zinc/96/45/43/726964543.db2.gz WWZBCAGTTVNLAR-MAUKXSAKSA-N 0 0 349.450 2.896 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCS1 ZINC000915367009 726964616 /nfs/dbraw/zinc/96/46/16/726964616.db2.gz UPKCLGVUDSDMBO-DGCLKSJQSA-N 0 0 325.453 2.975 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)[C@@H]1CCCO1 ZINC000907758694 727009700 /nfs/dbraw/zinc/00/97/00/727009700.db2.gz SGPIRXKHHGEBFG-SKDRFNHKSA-N 0 0 328.206 2.586 10 10 EFCERN COc1cc2c(cc1OC)CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC000732278169 727014325 /nfs/dbraw/zinc/01/43/25/727014325.db2.gz VFYLQWFXECQGJI-UHFFFAOYSA-N 0 0 333.409 2.712 10 10 EFCERN O=C(NCC[C@@H]1OCCc2ccccc21)NCc1ccccc1O ZINC000915524783 727087158 /nfs/dbraw/zinc/08/71/58/727087158.db2.gz JHXFKBMYKOCYBS-SFHVURJKSA-N 0 0 326.396 2.896 10 10 EFCERN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccccc1O ZINC000915525013 727087244 /nfs/dbraw/zinc/08/72/44/727087244.db2.gz KVSNYHCMGUFHQA-YPMHNXCESA-N 0 0 332.322 2.691 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NCc1cc(Br)ccc1O ZINC000908170625 727113359 /nfs/dbraw/zinc/11/33/59/727113359.db2.gz RKTKSBHKIKKQHD-UHFFFAOYSA-N 0 0 328.206 2.776 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000908210316 727132497 /nfs/dbraw/zinc/13/24/97/727132497.db2.gz ALAHLTMRWWHJOD-WDEREUQCSA-N 0 0 346.210 2.905 10 10 EFCERN O=C(c1ccccc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000915825766 727178404 /nfs/dbraw/zinc/17/84/04/727178404.db2.gz CEVZFCRQSWLLRN-UHFFFAOYSA-N 0 0 336.435 2.839 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000910944671 727475190 /nfs/dbraw/zinc/47/51/90/727475190.db2.gz WTZJXWROQKAFPO-IAOVAPTHSA-N 0 0 329.783 2.953 10 10 EFCERN COC1(OC)CC(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000911017640 727482012 /nfs/dbraw/zinc/48/20/12/727482012.db2.gz MCWZKSRRMVMHDM-UHFFFAOYSA-N 0 0 342.439 2.904 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000911896955 727617430 /nfs/dbraw/zinc/61/74/30/727617430.db2.gz FSXSRGBINZXKRN-RHNCMZPLSA-N 0 0 331.799 2.755 10 10 EFCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2n(n1)CCCC2 ZINC000912034541 727638905 /nfs/dbraw/zinc/63/89/05/727638905.db2.gz SMOHSCPKBKIBQG-VFFGBVLKSA-N 0 0 327.384 2.521 10 10 EFCERN C/C=C\[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912108749 727654950 /nfs/dbraw/zinc/65/49/50/727654950.db2.gz DBWVCSIJPUKTMK-WSNITJDQSA-N 0 0 330.350 2.581 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@H](C)C(C)(C)OC)CC2)cc1 ZINC000916225048 727668720 /nfs/dbraw/zinc/66/87/20/727668720.db2.gz CCYYIZXZUPCCKS-CQSZACIVSA-N 0 0 349.475 2.777 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000912180762 727670292 /nfs/dbraw/zinc/67/02/92/727670292.db2.gz QBXJDKJJYVJSAR-DLBZAZTESA-N 0 0 341.407 2.696 10 10 EFCERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Br)c1[O-] ZINC000156075768 727728892 /nfs/dbraw/zinc/72/88/92/727728892.db2.gz SUOHBQIPHRZCKV-DGCLKSJQSA-N 0 0 325.250 2.823 10 10 EFCERN CC[S@](=O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000733880856 727758864 /nfs/dbraw/zinc/75/88/64/727758864.db2.gz WHDZDFRNROFXLG-QHCPKHFHSA-N 0 0 332.469 2.901 10 10 EFCERN O=C1N[C@@H](c2ccc(N3CCOCC3)cc2)Nc2cc(F)ccc21 ZINC000917499998 727812948 /nfs/dbraw/zinc/81/29/48/727812948.db2.gz RMRGNHFJPLBPPC-KRWDZBQOSA-N 0 0 327.359 2.516 10 10 EFCERN COc1cccc([C@H]2C[C@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000156707987 727950121 /nfs/dbraw/zinc/95/01/21/727950121.db2.gz GXZYCFQSPIQFTO-HZPDHXFCSA-N 0 0 327.380 2.569 10 10 EFCERN Cc1nc(CN(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)no1 ZINC000183332437 728044341 /nfs/dbraw/zinc/04/43/41/728044341.db2.gz PMGQMWQPRSXUPI-UHFFFAOYSA-N 0 0 349.394 2.929 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCn1ccnn1 ZINC000182730773 728338780 /nfs/dbraw/zinc/33/87/80/728338780.db2.gz VEIODTUXIVCUCP-UHFFFAOYSA-N 0 0 329.429 2.567 10 10 EFCERN COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000182854605 728396123 /nfs/dbraw/zinc/39/61/23/728396123.db2.gz DJNRKAFHOBYINJ-HXUWFJFHSA-N 0 0 344.455 2.920 10 10 EFCERN CC[N@@H+]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000174237939 728655809 /nfs/dbraw/zinc/65/58/09/728655809.db2.gz HCMWRGDLOBDOPH-HNNXBMFYSA-N 0 0 331.460 2.555 10 10 EFCERN COCc1csc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000174394253 728665133 /nfs/dbraw/zinc/66/51/33/728665133.db2.gz OFHOUGAKGXWVLS-UHFFFAOYSA-N 0 0 346.456 2.994 10 10 EFCERN CO[C@]12CCC[C@@]1(NC(=O)NCc1ccc(N(C)C)cc1C)CCO2 ZINC000919070177 728967642 /nfs/dbraw/zinc/96/76/42/728967642.db2.gz IBGXSDRPTPHWBW-MOPGFXCFSA-N 0 0 347.459 2.546 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1CC1CC1 ZINC000919081247 728969264 /nfs/dbraw/zinc/96/92/64/728969264.db2.gz IXIVDZBTGZWNAH-SFHVURJKSA-N 0 0 331.460 2.772 10 10 EFCERN Cc1cc(C)n2c(CN3CCOc4cc(N(C)C)ccc43)cnc2n1 ZINC000154921898 728985461 /nfs/dbraw/zinc/98/54/61/728985461.db2.gz XLNBNKQJWQAWKO-UHFFFAOYSA-N 0 0 337.427 2.811 10 10 EFCERN C[C@]1(CNC(=O)NCc2c(O)cccc2F)OCCc2ccccc21 ZINC000924019423 728991425 /nfs/dbraw/zinc/99/14/25/728991425.db2.gz XFVTYBUOGSRWLX-LJQANCHMSA-N 0 0 344.386 2.819 10 10 EFCERN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000919595995 729054385 /nfs/dbraw/zinc/05/43/85/729054385.db2.gz QTPSZUHLKHGIRW-ZDUSSCGKSA-N 0 0 333.359 2.994 10 10 EFCERN CO[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000919595992 729054611 /nfs/dbraw/zinc/05/46/11/729054611.db2.gz QTPSZUHLKHGIRW-CYBMUJFWSA-N 0 0 333.359 2.994 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(F)(F)F)n(C)n1 ZINC000930125630 729174501 /nfs/dbraw/zinc/17/45/01/729174501.db2.gz DVAYYXUKQOWUIS-UHFFFAOYSA-N 0 0 340.349 2.904 10 10 EFCERN CO[C@H](C)c1nc(CNC(=O)NCc2c(O)cccc2F)cs1 ZINC000921373705 729300941 /nfs/dbraw/zinc/30/09/41/729300941.db2.gz QTQAEYNJAQYJMO-SECBINFHSA-N 0 0 339.392 2.695 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@]12C[C@H]1COC21CCC1 ZINC000921447962 729459920 /nfs/dbraw/zinc/45/99/20/729459920.db2.gz YXBIAGZJMGXAPF-XHDPSFHLSA-N 0 0 339.486 2.636 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000921450545 729460377 /nfs/dbraw/zinc/46/03/77/729460377.db2.gz AOPHZUNZLXEOEV-LRDDRELGSA-N 0 0 339.363 2.646 10 10 EFCERN C[C@@]1(CS(=O)(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000921450579 729460443 /nfs/dbraw/zinc/46/04/43/729460443.db2.gz AYUPFXXOFKOUOL-NSHDSACASA-N 0 0 342.219 2.535 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000921450546 729460455 /nfs/dbraw/zinc/46/04/55/729460455.db2.gz AOPHZUNZLXEOEV-MLGOLLRUSA-N 0 0 339.363 2.646 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@@H]1CCc2ccccc2C1 ZINC000921452490 729460764 /nfs/dbraw/zinc/46/07/64/729460764.db2.gz QPOCUCOQEAFNOT-CQSZACIVSA-N 0 0 335.400 2.508 10 10 EFCERN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1c(O)cccc1F ZINC000921452374 729460896 /nfs/dbraw/zinc/46/08/96/729460896.db2.gz NEAVHFNNQBRJSY-SNVBAGLBSA-N 0 0 337.363 2.776 10 10 EFCERN COC(=O)/C=C/c1ccc(N2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000068463496 729697040 /nfs/dbraw/zinc/69/70/40/729697040.db2.gz COYZGIGWONPXOE-WMADIVHISA-N 0 0 334.372 2.785 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000170880734 729713251 /nfs/dbraw/zinc/71/32/51/729713251.db2.gz JRDNMROETFVGQU-XHDPSFHLSA-N 0 0 328.368 2.895 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000170900547 729774487 /nfs/dbraw/zinc/77/44/87/729774487.db2.gz TYMDZQSQUAYKCM-GFCCVEGCSA-N 0 0 339.391 2.950 10 10 EFCERN C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000865714116 1126114507 /nfs/dbraw/zinc/11/45/07/1126114507.db2.gz FZEKROXTZIROAW-QGZVFWFLSA-N 0 0 334.347 2.523 10 10 EFCERN Cc1cc(C(=O)NCc2cc(=O)cc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC001570127126 1085967790 /nfs/dbraw/zinc/96/77/90/1085967790.db2.gz SLBZMACCXKMIPG-UHFFFAOYSA-N 0 0 339.370 2.852 10 10 EFCERN O=C(CCCn1cnc2ccccc21)NCc1ccc(O)cc1O ZINC001570462051 1086257224 /nfs/dbraw/zinc/25/72/24/1086257224.db2.gz BLYXLWXNIBELAK-UHFFFAOYSA-N 0 0 325.368 2.544 10 10 EFCERN CN(C[C@@](C)(O)c1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570517166 1086302436 /nfs/dbraw/zinc/30/24/36/1086302436.db2.gz KPRMNFDSOPKPJM-GOSISDBHSA-N 0 0 340.383 2.829 10 10 EFCERN CNc1snc(C)c1C(=O)NCc1ccc2cccnc2c1O ZINC001570531744 1086317829 /nfs/dbraw/zinc/31/78/29/1086317829.db2.gz NKGDLRJVESZXAG-UHFFFAOYSA-N 0 0 328.397 2.677 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)c[nH]c1=O ZINC001570582034 1086380456 /nfs/dbraw/zinc/38/04/56/1086380456.db2.gz UFCFWECBAATRBL-UHFFFAOYSA-N 0 0 329.375 2.847 10 10 EFCERN CC(C)NC(=O)CCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001647791975 1089879859 /nfs/dbraw/zinc/87/98/59/1089879859.db2.gz XZRXGGOQRZIOAV-UHFFFAOYSA-N 0 0 328.412 2.857 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cn(C)cn2)c1 ZINC001647840553 1089893664 /nfs/dbraw/zinc/89/36/64/1089893664.db2.gz YFYFKYBYRGUYOA-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN CCOc1ccc(N(CCCS(=O)(=O)N(C)C)CC2CC2)cc1 ZINC001648030107 1089932122 /nfs/dbraw/zinc/93/21/22/1089932122.db2.gz HFEBYCBQUNBRKH-UHFFFAOYSA-N 0 0 340.489 2.583 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1 ZINC001648110215 1089944170 /nfs/dbraw/zinc/94/41/70/1089944170.db2.gz LWMVRTUYTKCZTR-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN Cc1cccn2cc(CC(=O)NCc3cc(Cl)ccc3O)nc12 ZINC001583816839 1092072131 /nfs/dbraw/zinc/07/21/31/1092072131.db2.gz MOFVXSPVASZLMW-UHFFFAOYSA-N 0 0 329.787 2.861 10 10 EFCERN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1cc(Cl)ccc1O ZINC001583820723 1092072352 /nfs/dbraw/zinc/07/23/52/1092072352.db2.gz JXQNJWUEKSXANL-CYBMUJFWSA-N 0 0 348.761 2.927 10 10 EFCERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001583816524 1092072639 /nfs/dbraw/zinc/07/26/39/1092072639.db2.gz JGTSADBZBNZYFG-MGPLVRAMSA-N 0 0 333.771 2.890 10 10 EFCERN CC(C)CCC(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584019659 1092097423 /nfs/dbraw/zinc/09/74/23/1092097423.db2.gz JZQLRAMMNGHDLC-LBPRGKRZSA-N 0 0 347.419 2.520 10 10 EFCERN COc1ccc(Cl)cc1CCNC(=O)c1c(F)ccc(O)c1O ZINC001648555798 1092232105 /nfs/dbraw/zinc/23/21/05/1092232105.db2.gz GGYXBOCVSWPPIC-UHFFFAOYSA-N 0 0 339.750 2.871 10 10 EFCERN COc1cc(C(=O)NCc2cccc(Cl)c2O)cc(OC)c1O ZINC001648606811 1092238021 /nfs/dbraw/zinc/23/80/21/1092238021.db2.gz ZMUQFDSSNWQCEV-UHFFFAOYSA-N 0 0 337.759 2.698 10 10 EFCERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cl)c1O ZINC001648605855 1092238838 /nfs/dbraw/zinc/23/88/38/1092238838.db2.gz BJTPGEMWHLFACF-UHFFFAOYSA-N 0 0 336.731 2.649 10 10 EFCERN O=C(Cc1nnc(-c2ccccc2)o1)NCc1cccc(Cl)c1O ZINC001648608833 1092239399 /nfs/dbraw/zinc/23/93/99/1092239399.db2.gz NGJUESNJOKPJHC-UHFFFAOYSA-N 0 0 343.770 2.955 10 10 EFCERN COc1cccc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc21 ZINC001584704946 1092255830 /nfs/dbraw/zinc/25/58/30/1092255830.db2.gz LRCJOFOTWCMPOM-UHFFFAOYSA-N 0 0 330.365 2.897 10 10 EFCERN C[Si](C)(C)c1ccc(CCNC(=O)c2cccc(O)c2O)cc1 ZINC001584842546 1092304798 /nfs/dbraw/zinc/30/47/98/1092304798.db2.gz HRKAJLDJLBJJTR-UHFFFAOYSA-N 0 0 329.472 2.616 10 10 EFCERN COC(=O)c1occc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001584872626 1092313871 /nfs/dbraw/zinc/31/38/71/1092313871.db2.gz YNXSIJRFHIGVKV-UHFFFAOYSA-N 0 0 347.348 2.622 10 10 EFCERN CCn1ncc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC001585484709 1092498518 /nfs/dbraw/zinc/49/85/18/1092498518.db2.gz BZELDNOJIQYHPO-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)c2ccccc2n1C ZINC001585786827 1092572202 /nfs/dbraw/zinc/57/22/02/1092572202.db2.gz HXYVIWJOLUWSAP-UHFFFAOYSA-N 0 0 349.434 2.843 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1 ZINC001585830125 1092586496 /nfs/dbraw/zinc/58/64/96/1092586496.db2.gz AFYSLZBIKURUSN-MRXNPFEDSA-N 0 0 338.367 2.893 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588506459 1092655664 /nfs/dbraw/zinc/65/56/64/1092655664.db2.gz YYPSQHYERGVRFZ-MZBZXASESA-N 0 0 332.787 2.907 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2c2ccco2)cc1 ZINC001586212894 1092711698 /nfs/dbraw/zinc/71/16/98/1092711698.db2.gz JOHQUIPXTDNPQY-ZDUSSCGKSA-N 0 0 328.328 2.656 10 10 EFCERN Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)CO1 ZINC001586376187 1092728694 /nfs/dbraw/zinc/72/86/94/1092728694.db2.gz WAZJNXKFDWPTRK-IFXJQAMLSA-N 0 0 341.407 2.937 10 10 EFCERN C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccccc1O ZINC001587447045 1092813362 /nfs/dbraw/zinc/81/33/62/1092813362.db2.gz HZBSIRJNGOXBRK-LBPRGKRZSA-N 0 0 338.367 2.647 10 10 EFCERN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccccc1O ZINC001587451528 1092813404 /nfs/dbraw/zinc/81/34/04/1092813404.db2.gz YMAFOKBLDUFNGM-STQMWFEESA-N 0 0 342.370 2.762 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001587552745 1092821459 /nfs/dbraw/zinc/82/14/59/1092821459.db2.gz XTZYFCOBFQUKDH-UHFFFAOYSA-N 0 0 340.423 2.899 10 10 EFCERN CO[C@@]1(C)C[C@H]1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001167574890 1092823191 /nfs/dbraw/zinc/82/31/91/1092823191.db2.gz BEYTVKFIDWVCHG-MJGOQNOKSA-N 0 0 326.396 2.814 10 10 EFCERN C[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708089180 1092972351 /nfs/dbraw/zinc/97/23/51/1092972351.db2.gz KKBNKKQOCHHGTL-LDYMZIIASA-N 0 0 333.657 2.977 10 10 EFCERN CN(Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1CCC[NH2+]1 ZINC000708087478 1092973505 /nfs/dbraw/zinc/97/35/05/1092973505.db2.gz CPCGEGXYJIYXCO-NSHDSACASA-N 0 0 333.657 2.992 10 10 EFCERN COC(=O)c1sc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1C ZINC001650684268 1093482250 /nfs/dbraw/zinc/48/22/50/1093482250.db2.gz RMJNTZAZYYTUCH-UHFFFAOYSA-N 0 0 347.356 2.653 10 10 EFCERN Cc1[nH]c2ccccc2c1C1=CCN(c2nccnc2C(N)=O)CC1 ZINC001650896163 1093504081 /nfs/dbraw/zinc/50/40/81/1093504081.db2.gz LWVAJYCCOVHOBW-UHFFFAOYSA-N 0 0 333.395 2.659 10 10 EFCERN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001650913065 1093507988 /nfs/dbraw/zinc/50/79/88/1093507988.db2.gz YLONSYSKWIEEDK-XXFAHNHDSA-N 0 0 337.322 2.882 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COCO1 ZINC001651133991 1093531398 /nfs/dbraw/zinc/53/13/98/1093531398.db2.gz VAMCFXGWXIEYLD-CQSZACIVSA-N 0 0 328.324 2.611 10 10 EFCERN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225398 1093542251 /nfs/dbraw/zinc/54/22/51/1093542251.db2.gz HWIOJZHFWDVJBE-DLBZAZTESA-N 0 0 326.396 2.584 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(F)c1Br ZINC001651225229 1093542625 /nfs/dbraw/zinc/54/26/25/1093542625.db2.gz AYONBECRFZHOHG-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1cc(O)ccc1O ZINC001651225495 1093542775 /nfs/dbraw/zinc/54/27/75/1093542775.db2.gz MBJNDHDRJYRBQC-GFCCVEGCSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccnc1SC(F)F ZINC001593872997 1094412533 /nfs/dbraw/zinc/41/25/33/1094412533.db2.gz JGBXJALMNCXZHX-UHFFFAOYSA-N 0 0 326.324 2.738 10 10 EFCERN O=C(CO[C@H]1CCCc2ccccc21)NCc1cc(O)ccc1O ZINC001593873681 1094414353 /nfs/dbraw/zinc/41/43/53/1094414353.db2.gz WDLLBHCTTLOKHN-SFHVURJKSA-N 0 0 327.380 2.808 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc2ccccc2c1 ZINC001595341017 1094461994 /nfs/dbraw/zinc/46/19/94/1094461994.db2.gz PTOIWWHIDXCZBS-UHFFFAOYSA-N 0 0 337.375 2.989 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2cccc(F)c2)cc1 ZINC001595446166 1094469880 /nfs/dbraw/zinc/46/98/80/1094469880.db2.gz UULCWRXABOLYQJ-UHFFFAOYSA-N 0 0 330.319 2.797 10 10 EFCERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)oc1Br ZINC001595751534 1094491211 /nfs/dbraw/zinc/49/12/11/1094491211.db2.gz JVAAQORLXPIVBP-UHFFFAOYSA-N 0 0 340.173 2.734 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC001595800512 1094495796 /nfs/dbraw/zinc/49/57/96/1094495796.db2.gz XQAFJUKTGZGWMG-HUUCEWRRSA-N 0 0 342.351 2.729 10 10 EFCERN CC(C)NC(=O)Nc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001596032663 1094509902 /nfs/dbraw/zinc/50/99/02/1094509902.db2.gz JWKAIQRUMJQAEC-UHFFFAOYSA-N 0 0 343.383 2.809 10 10 EFCERN CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001596689486 1094542085 /nfs/dbraw/zinc/54/20/85/1094542085.db2.gz NIKSJGZYVCVNFK-UHFFFAOYSA-N 0 0 347.419 2.520 10 10 EFCERN CCN(C)C(=O)c1cccc(C(=O)NCc2c(O)cccc2F)c1 ZINC001596912228 1094553249 /nfs/dbraw/zinc/55/32/49/1094553249.db2.gz NBBDNMINQICSOC-UHFFFAOYSA-N 0 0 330.359 2.553 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1c(O)cccc1F ZINC001596913421 1094553592 /nfs/dbraw/zinc/55/35/92/1094553592.db2.gz XUGOOGYMVYQLLZ-UHFFFAOYSA-N 0 0 338.722 2.952 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)[C@H](C)O1 ZINC000782952482 1094557807 /nfs/dbraw/zinc/55/78/07/1094557807.db2.gz CCUAIWZZLFAFHB-ILXRZTDVSA-N 0 0 331.460 2.776 10 10 EFCERN COCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000782959933 1094581685 /nfs/dbraw/zinc/58/16/85/1094581685.db2.gz DKATZEQRUFCFQD-OAHLLOKOSA-N 0 0 331.412 2.791 10 10 EFCERN CCOc1ccc(SCC(=O)NCc2c(O)cccc2O)cc1 ZINC001597568164 1094600618 /nfs/dbraw/zinc/60/06/18/1094600618.db2.gz BAFVVUPVSMJKDD-UHFFFAOYSA-N 0 0 333.409 2.905 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1csc(Br)c1 ZINC001597569754 1094600688 /nfs/dbraw/zinc/60/06/88/1094600688.db2.gz SAEVXSVEUVIZII-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001597569007 1094600897 /nfs/dbraw/zinc/60/08/97/1094600897.db2.gz MBTDOQSWURAZJE-SMDDNHRTSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc2c(F)ccc(F)c2c1 ZINC001597575040 1094602117 /nfs/dbraw/zinc/60/21/17/1094602117.db2.gz XYCHZRRMGVOWCP-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN Cn1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001597753761 1094618733 /nfs/dbraw/zinc/61/87/33/1094618733.db2.gz WSIVBBAUJLCWRI-HWKANZROSA-N 0 0 327.262 2.502 10 10 EFCERN COc1ccc([C@@H](OC)[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001597768370 1094620949 /nfs/dbraw/zinc/62/09/49/1094620949.db2.gz AHGXPXPHENUFON-BUXKBTBVSA-N 0 0 345.395 2.541 10 10 EFCERN C[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001597907382 1094638374 /nfs/dbraw/zinc/63/83/74/1094638374.db2.gz DZGRANRTSGABNC-SUMDDJOVSA-N 0 0 346.471 2.642 10 10 EFCERN Cc1nccc(NC(=O)NCc2ccccc2O)c1Br ZINC000782857054 1096157858 /nfs/dbraw/zinc/15/78/58/1096157858.db2.gz OBCMUIJNCHCJRI-UHFFFAOYSA-N 0 0 336.189 2.602 10 10 EFCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001268533274 1097140407 /nfs/dbraw/zinc/14/04/07/1097140407.db2.gz KNNXDBCMKSMPOC-YHOGECKDSA-N 0 0 339.439 2.807 10 10 EFCERN Cn1ncc(C(=O)NCc2cccc(Cl)c2O)c1C(F)(F)F ZINC001606860682 1097463488 /nfs/dbraw/zinc/46/34/88/1097463488.db2.gz PMKWUMJGENNGKY-UHFFFAOYSA-N 0 0 333.697 2.728 10 10 EFCERN C[C@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001269588380 1098269877 /nfs/dbraw/zinc/26/98/77/1098269877.db2.gz QSABJPPQTRHWCW-VBNZEHGJSA-N 0 0 347.459 2.843 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(F)cc1 ZINC001611539085 1099020360 /nfs/dbraw/zinc/02/03/60/1099020360.db2.gz DIVRQNYQZJFXFT-UHFFFAOYSA-N 0 0 341.342 2.663 10 10 EFCERN COCCc1nsc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001611764764 1099032566 /nfs/dbraw/zinc/03/25/66/1099032566.db2.gz VUMNFMIRMOZCNI-UHFFFAOYSA-N 0 0 332.473 2.964 10 10 EFCERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N(Cc1ccco1)Cc1ccccc1O ZINC000780531512 1099056423 /nfs/dbraw/zinc/05/64/23/1099056423.db2.gz XDLZZNBQIPXROO-JQHSSLGASA-N 0 0 327.380 2.939 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCOCC(F)F ZINC001612538267 1099062043 /nfs/dbraw/zinc/06/20/43/1099062043.db2.gz TVSXARVLRJLXOK-UHFFFAOYSA-N 0 0 340.374 2.600 10 10 EFCERN COC(=O)[C@@H](F)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001612894751 1099081723 /nfs/dbraw/zinc/08/17/23/1099081723.db2.gz XVCLLSGCXMVTNX-AWEZNQCLSA-N 0 0 346.314 2.749 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC[C@H]1C ZINC001613923175 1099111830 /nfs/dbraw/zinc/11/18/30/1099111830.db2.gz IHRUUEWCEQZSIV-HUUCEWRRSA-N 0 0 344.459 2.855 10 10 EFCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@@H]2CCc3ccccc32)c1 ZINC000783152932 1099201734 /nfs/dbraw/zinc/20/17/34/1099201734.db2.gz SACDGOIKIYRRMU-MRXNPFEDSA-N 0 0 347.392 2.608 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c2cnn(C)c2n1 ZINC001126004740 1099255332 /nfs/dbraw/zinc/25/53/32/1099255332.db2.gz LBQAGZDPRVELJL-UHFFFAOYSA-N 0 0 337.427 2.581 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3ccccc3OC2)cc1 ZINC001617771160 1099259485 /nfs/dbraw/zinc/25/94/85/1099259485.db2.gz LYWKMMBCGREQQU-HNNXBMFYSA-N 0 0 338.367 2.973 10 10 EFCERN COc1ccc(N(CC(=O)N2CCOC(C)(C)C2)CC2CC2)cc1 ZINC001618019247 1099273986 /nfs/dbraw/zinc/27/39/86/1099273986.db2.gz QYYJYGREOJWKMW-UHFFFAOYSA-N 0 0 332.444 2.549 10 10 EFCERN COC(=O)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1C ZINC001620558081 1099360914 /nfs/dbraw/zinc/36/09/14/1099360914.db2.gz BFPCTEZYJAYPMW-UHFFFAOYSA-N 0 0 346.364 2.690 10 10 EFCERN Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001622359348 1099504995 /nfs/dbraw/zinc/50/49/95/1099504995.db2.gz MAQGFOUMRGAVKW-HNNXBMFYSA-N 0 0 326.356 2.621 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC001622773069 1099542317 /nfs/dbraw/zinc/54/23/17/1099542317.db2.gz UMJPVYILTYNZNV-UHFFFAOYSA-N 0 0 327.380 2.785 10 10 EFCERN COc1cccc(CNC(=O)Cc2nc(C(F)(F)F)cs2)c1O ZINC001622779510 1099542897 /nfs/dbraw/zinc/54/28/97/1099542897.db2.gz QDXWUGJGOACIGK-UHFFFAOYSA-N 0 0 346.330 2.735 10 10 EFCERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OC)c1O ZINC001622773154 1099543128 /nfs/dbraw/zinc/54/31/28/1099543128.db2.gz XZWBYFSPDJJMAW-UHFFFAOYSA-N 0 0 346.339 2.638 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC001623124340 1099561026 /nfs/dbraw/zinc/56/10/26/1099561026.db2.gz KBFYMBLXANHSAN-RRFJBIMHSA-N 0 0 342.399 2.927 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)cc1 ZINC001623315397 1099573998 /nfs/dbraw/zinc/57/39/98/1099573998.db2.gz BCZCLBPLAVZQIF-MRXNPFEDSA-N 0 0 341.386 2.634 10 10 EFCERN CCN1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001623637544 1099609457 /nfs/dbraw/zinc/60/94/57/1099609457.db2.gz BYZIOCXQJUYESO-UHFFFAOYSA-N 0 0 325.456 2.801 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001624401849 1099689096 /nfs/dbraw/zinc/68/90/96/1099689096.db2.gz RYAJHCINLMEYQM-HOCLYGCPSA-N 0 0 347.459 2.530 10 10 EFCERN CCCC[C@H](O)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001624537321 1099702340 /nfs/dbraw/zinc/70/23/40/1099702340.db2.gz KHHDUERPDYTQFR-IBGZPJMESA-N 0 0 348.487 2.813 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc2nc[nH]c21 ZINC001624630395 1099714067 /nfs/dbraw/zinc/71/40/67/1099714067.db2.gz OHYLVEJWCBKXEL-UHFFFAOYSA-N 0 0 335.411 2.830 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001624955005 1099753615 /nfs/dbraw/zinc/75/36/15/1099753615.db2.gz OYZQVCRKGJEWOV-LLVKDONJSA-N 0 0 344.367 2.984 10 10 EFCERN Cc1cc(CC(=O)N2CCOCCN2)c(C)n1-c1ccc(Cl)cc1 ZINC001624967967 1099755096 /nfs/dbraw/zinc/75/50/96/1099755096.db2.gz DZSKWBROZKEJDA-UHFFFAOYSA-N 0 0 347.846 2.653 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC001625024763 1099761478 /nfs/dbraw/zinc/76/14/78/1099761478.db2.gz KAMXOXBVPYMDAI-INIZCTEOSA-N 0 0 325.364 2.573 10 10 EFCERN Cc1csc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C(F)(F)F)n1 ZINC001625319883 1099793718 /nfs/dbraw/zinc/79/37/18/1099793718.db2.gz CNFGOCGROKVYFG-LBPRGKRZSA-N 0 0 346.330 2.825 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nccn1-c1ccccc1 ZINC001625454943 1099813750 /nfs/dbraw/zinc/81/37/50/1099813750.db2.gz IHLYTWOEFHYEDQ-CYBMUJFWSA-N 0 0 337.379 2.703 10 10 EFCERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(N(C)C)cc1 ZINC001625544375 1099823932 /nfs/dbraw/zinc/82/39/32/1099823932.db2.gz SUEKSGZKFRNJPL-NSHDSACASA-N 0 0 328.372 2.734 10 10 EFCERN Cc1nnc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)o1 ZINC001625657535 1099838173 /nfs/dbraw/zinc/83/81/73/1099838173.db2.gz SILBBKLRBPWZLO-UHFFFAOYSA-N 0 0 348.366 2.659 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(-c2nc[nH]n2)ccc1F ZINC001626414720 1099872660 /nfs/dbraw/zinc/87/26/60/1099872660.db2.gz XPXZDLXYQPFSDE-QHHAFSJGSA-N 0 0 340.314 2.674 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001626691700 1099906659 /nfs/dbraw/zinc/90/66/59/1099906659.db2.gz SRIKKDXADMUVPI-QGZVFWFLSA-N 0 0 349.333 2.519 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2nonc2c1 ZINC001626723229 1099910365 /nfs/dbraw/zinc/91/03/65/1099910365.db2.gz WVUKEJBUJAPNHE-CYBMUJFWSA-N 0 0 338.411 2.958 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001626723061 1099910579 /nfs/dbraw/zinc/91/05/79/1099910579.db2.gz RQNDGUOWSIWOFM-IOQHAVRMSA-N 0 0 346.471 2.816 10 10 EFCERN Cc1cc(C(=O)NCc2cccc(Br)c2O)cnc1F ZINC001626821972 1099923128 /nfs/dbraw/zinc/92/31/28/1099923128.db2.gz HVJBRWMRSSBGAW-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(OCC(F)(F)F)o1 ZINC001626838268 1099923750 /nfs/dbraw/zinc/92/37/50/1099923750.db2.gz UUVZGRMYMBVREO-UHFFFAOYSA-N 0 0 331.246 2.562 10 10 EFCERN Cc1nc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n[nH]1 ZINC001626841287 1099926295 /nfs/dbraw/zinc/92/62/95/1099926295.db2.gz QEHDNDSGNOZFGR-UHFFFAOYSA-N 0 0 337.383 2.894 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1c(F)cc(F)c(F)c1F ZINC001626855410 1099927121 /nfs/dbraw/zinc/92/71/21/1099927121.db2.gz FURPEYUZPGDYTF-UHFFFAOYSA-N 0 0 329.249 2.513 10 10 EFCERN CC(C)Cn1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC001626940266 1099937996 /nfs/dbraw/zinc/93/79/96/1099937996.db2.gz DZTBBCPCGIOVBI-UHFFFAOYSA-N 0 0 326.444 2.852 10 10 EFCERN CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781901983 1099970436 /nfs/dbraw/zinc/97/04/36/1099970436.db2.gz XIOUSYPYHHQBMM-UHFFFAOYSA-N 0 0 343.265 2.763 10 10 EFCERN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC001627807529 1100034581 /nfs/dbraw/zinc/03/45/81/1100034581.db2.gz FDYPXOCRTJNWHX-GFCCVEGCSA-N 0 0 325.368 2.784 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@](C)(O)c1ccccc1 ZINC001628346226 1100090463 /nfs/dbraw/zinc/09/04/63/1100090463.db2.gz VKGHTLWCFNNSKC-XIKOKIGWSA-N 0 0 340.383 2.875 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC001628480038 1100106317 /nfs/dbraw/zinc/10/63/17/1100106317.db2.gz ANSLIJHTNIDDDC-UHFFFAOYSA-N 0 0 349.390 2.615 10 10 EFCERN O=C(CCc1nc(-c2ccoc2)no1)NCc1cc(Cl)ccc1O ZINC001628666471 1100122806 /nfs/dbraw/zinc/12/28/06/1100122806.db2.gz DNWVHUMALUWZOL-UHFFFAOYSA-N 0 0 347.758 2.938 10 10 EFCERN CC(=O)N(CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001628681530 1100124566 /nfs/dbraw/zinc/12/45/66/1100124566.db2.gz WAWLYFRMZBBQFJ-UHFFFAOYSA-N 0 0 332.787 2.715 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C2CCCCC2)no1 ZINC001628848335 1100141199 /nfs/dbraw/zinc/14/11/99/1100141199.db2.gz PVMKDAZMSYHUAR-LLVKDONJSA-N 0 0 345.399 2.948 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)cc1 ZINC001629532643 1100220490 /nfs/dbraw/zinc/22/04/90/1100220490.db2.gz NTRGALFJFRJIDJ-GFCCVEGCSA-N 0 0 328.332 2.599 10 10 EFCERN COC(=O)[C@@H](C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC001629556930 1100224496 /nfs/dbraw/zinc/22/44/96/1100224496.db2.gz DFEWTBUBLUOYFN-MRVPVSSYSA-N 0 0 339.344 2.785 10 10 EFCERN COc1ccc(-n2ccc(C(=O)NCc3cc(C)ccc3O)n2)cc1 ZINC001629737196 1100241574 /nfs/dbraw/zinc/24/15/74/1100241574.db2.gz UGENJIPWWKKKKG-UHFFFAOYSA-N 0 0 337.379 2.825 10 10 EFCERN CCOC(=O)[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001629740489 1100242377 /nfs/dbraw/zinc/24/23/77/1100242377.db2.gz IIWDSJWOQLPKMD-QGZVFWFLSA-N 0 0 327.380 2.664 10 10 EFCERN CCn1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1=O ZINC001630139238 1100279781 /nfs/dbraw/zinc/27/97/81/1100279781.db2.gz XGUKQWHJYAMPTH-UHFFFAOYSA-N 0 0 336.395 2.923 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=C[S@@](=O)CCC1 ZINC001630181064 1100282494 /nfs/dbraw/zinc/28/24/94/1100282494.db2.gz SLVBUIZFFMUMEI-FATZIPQQSA-N 0 0 334.485 2.535 10 10 EFCERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCc3ccc(O)cc3O)c2c1 ZINC001630301828 1100291484 /nfs/dbraw/zinc/29/14/84/1100291484.db2.gz JMRQJHOPXIRDRT-UHFFFAOYSA-N 0 0 342.326 2.729 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC001630301898 1100292583 /nfs/dbraw/zinc/29/25/83/1100292583.db2.gz MAMBXXGLZQUKQU-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN O=C(CCc1ccc2c(c1)OC(F)(F)O2)NCc1ccccc1O ZINC001630363522 1100298331 /nfs/dbraw/zinc/29/83/31/1100298331.db2.gz SSXQESIAKSSEHH-UHFFFAOYSA-N 0 0 335.306 2.963 10 10 EFCERN COc1cccc(CNC(=O)C(=O)c2c[nH]c3cc(F)ccc32)c1O ZINC001630366855 1100299188 /nfs/dbraw/zinc/29/91/88/1100299188.db2.gz YCSVWWXPGUZYKS-UHFFFAOYSA-N 0 0 342.326 2.520 10 10 EFCERN CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(O)c1O ZINC001630737849 1100335114 /nfs/dbraw/zinc/33/51/14/1100335114.db2.gz CGLQPKWCVPENJT-UHFFFAOYSA-N 0 0 326.352 2.649 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1nc[nH]n1 ZINC001630881785 1100348117 /nfs/dbraw/zinc/34/81/17/1100348117.db2.gz LDDSUGCFIFTPKQ-LBPRGKRZSA-N 0 0 337.383 2.516 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001631093562 1100369610 /nfs/dbraw/zinc/36/96/10/1100369610.db2.gz MCMPJHBGOSYOIQ-SDHLOXDLSA-N 0 0 325.364 2.833 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001631093560 1100369953 /nfs/dbraw/zinc/36/99/53/1100369953.db2.gz MCMPJHBGOSYOIQ-GBVWOXPPSA-N 0 0 325.364 2.833 10 10 EFCERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccc(O)c(O)c2)c1F ZINC001631435014 1100399121 /nfs/dbraw/zinc/39/91/21/1100399121.db2.gz XJQZHYKSLPCRMA-UHFFFAOYSA-N 0 0 338.266 2.523 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1snc(Cl)c1Cl ZINC001631509901 1100405154 /nfs/dbraw/zinc/40/51/54/1100405154.db2.gz GEYULEREDAFCPI-UHFFFAOYSA-N 0 0 333.196 2.834 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C(F)(F)F)ccc2N)c1O ZINC001631542678 1100408260 /nfs/dbraw/zinc/40/82/60/1100408260.db2.gz LOSXXATUTSPSPM-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN COc1cccc(CNC(=O)c2nscc2Br)c1O ZINC001631540608 1100408689 /nfs/dbraw/zinc/40/86/89/1100408689.db2.gz YMZQJVPQEIXXED-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)c2nc[nH]n2)c1 ZINC001632042725 1100449466 /nfs/dbraw/zinc/44/94/66/1100449466.db2.gz JHWDSPIMHOPQCJ-LBPRGKRZSA-N 0 0 337.383 2.516 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cccc(O)c2F)cc1 ZINC001632050655 1100450091 /nfs/dbraw/zinc/45/00/91/1100450091.db2.gz ZQBVSAPMBBUGAZ-UHFFFAOYSA-N 0 0 332.375 2.748 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Cc2cc(F)ccc2O)cc1 ZINC001632048927 1100450598 /nfs/dbraw/zinc/45/05/98/1100450598.db2.gz GZBRITRLIKCVQW-UHFFFAOYSA-N 0 0 346.402 2.677 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)c(O)c2)cc1 ZINC001632050596 1100450738 /nfs/dbraw/zinc/45/07/38/1100450738.db2.gz YJIRWWPIYQCMHI-UHFFFAOYSA-N 0 0 332.375 2.748 10 10 EFCERN CNC(=O)Nc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001632227697 1100460492 /nfs/dbraw/zinc/46/04/92/1100460492.db2.gz HGGAFAATYJKPQW-UHFFFAOYSA-N 0 0 333.775 2.727 10 10 EFCERN C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)c1ccccc1O ZINC001632250037 1100462789 /nfs/dbraw/zinc/46/27/89/1100462789.db2.gz IVZBOCPOOCBPDF-MRVPVSSYSA-N 0 0 337.173 2.746 10 10 EFCERN C[C@@H](NC(=O)c1cnc(C2CCCC2)nc1N)c1ccccc1O ZINC001632246715 1100462886 /nfs/dbraw/zinc/46/28/86/1100462886.db2.gz MKUUOVKOHMXKAC-LLVKDONJSA-N 0 0 326.400 2.913 10 10 EFCERN C[C@H](NC(=O)c1cn(CCc2ccccc2)nn1)c1ccccc1O ZINC001632249839 1100462928 /nfs/dbraw/zinc/46/29/28/1100462928.db2.gz DJZFQKSQVPAZPA-AWEZNQCLSA-N 0 0 336.395 2.717 10 10 EFCERN CCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(O)c1 ZINC001632611760 1100488879 /nfs/dbraw/zinc/48/88/79/1100488879.db2.gz JRAUVCHVMFJDTQ-OAHLLOKOSA-N 0 0 340.423 2.972 10 10 EFCERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001632709480 1100495189 /nfs/dbraw/zinc/49/51/89/1100495189.db2.gz YVRAYSRCBLUSEO-UHFFFAOYSA-N 0 0 343.295 2.673 10 10 EFCERN COc1ccc(C(=O)NCCCSc2nccs2)c(N)c1F ZINC001632806730 1100501626 /nfs/dbraw/zinc/50/16/26/1100501626.db2.gz ACAILQWKLARGDP-UHFFFAOYSA-N 0 0 341.433 2.785 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cc(C)ncn1 ZINC001633256884 1100531999 /nfs/dbraw/zinc/53/19/99/1100531999.db2.gz YSCHWVYANODSIX-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2csc(-c3cnccn3)n2)c1 ZINC001633282432 1100533568 /nfs/dbraw/zinc/53/35/68/1100533568.db2.gz IXMUYIJOSOBPFI-UHFFFAOYSA-N 0 0 326.381 2.544 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnn3c2nc(C)cc3C(F)F)c1 ZINC001633283096 1100534009 /nfs/dbraw/zinc/53/40/09/1100534009.db2.gz SXCBVDSTQOCJQA-UHFFFAOYSA-N 0 0 346.337 2.919 10 10 EFCERN Cc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1C ZINC001633344236 1100537686 /nfs/dbraw/zinc/53/76/86/1100537686.db2.gz MARNUVYMWUDZCN-UHFFFAOYSA-N 0 0 340.423 2.606 10 10 EFCERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(O)c1O ZINC001633515947 1100546984 /nfs/dbraw/zinc/54/69/84/1100546984.db2.gz XQGAZUVORQOUCE-ZDUSSCGKSA-N 0 0 344.367 2.891 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccc(F)cc2)on1 ZINC001633595239 1100552785 /nfs/dbraw/zinc/55/27/85/1100552785.db2.gz NMXQEBICAJGIJF-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(Br)c1F ZINC001633599078 1100553155 /nfs/dbraw/zinc/55/31/55/1100553155.db2.gz NWMUAQREEUZVDR-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN C/C=C\COc1cccc(CC(=O)NCc2cc(O)ccc2O)c1 ZINC001633599373 1100553551 /nfs/dbraw/zinc/55/35/51/1100553551.db2.gz YWFSSXQSDKPZCE-IHWYPQMZSA-N 0 0 327.380 2.912 10 10 EFCERN C[C@H](CCc1cccn1C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633611855 1100554825 /nfs/dbraw/zinc/55/48/25/1100554825.db2.gz RKPVKZSPAOMJHU-GFCCVEGCSA-N 0 0 327.388 2.939 10 10 EFCERN COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)OC)c1 ZINC001633713280 1100560156 /nfs/dbraw/zinc/56/01/56/1100560156.db2.gz LLBPSAKWXVHLFP-PDFOZTTASA-N 0 0 343.379 2.624 10 10 EFCERN COc1ccc(CNC(=O)c2coc(-c3ccnc(C)c3)n2)c(O)c1 ZINC001633926529 1100574463 /nfs/dbraw/zinc/57/44/63/1100574463.db2.gz GZDQBCKKXLTRMG-UHFFFAOYSA-N 0 0 339.351 2.689 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc[n+]([O-])c3)c2C)cc1 ZINC001634066694 1100582833 /nfs/dbraw/zinc/58/28/33/1100582833.db2.gz SVYOIAQNCWPIBN-UHFFFAOYSA-N 0 0 337.379 2.988 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](CO)[C@@H]1C ZINC001634137661 1100587278 /nfs/dbraw/zinc/58/72/78/1100587278.db2.gz IQTXGOZHXRXJEW-GOEBONIOSA-N 0 0 340.423 2.750 10 10 EFCERN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1ccccc1 ZINC001634362718 1100602570 /nfs/dbraw/zinc/60/25/70/1100602570.db2.gz CJYNFQCEADOXBN-RBUKOAKNSA-N 0 0 329.396 2.515 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 ZINC001634383019 1100604892 /nfs/dbraw/zinc/60/48/92/1100604892.db2.gz UNVGRRSDJAYZJY-UHFFFAOYSA-N 0 0 345.746 2.854 10 10 EFCERN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1NC(=O)N(C)C ZINC001634532915 1100613521 /nfs/dbraw/zinc/61/35/21/1100613521.db2.gz XGZRFIBUMVDZMB-UHFFFAOYSA-N 0 0 343.383 2.681 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CCOCC1 ZINC001634565681 1100616989 /nfs/dbraw/zinc/61/69/89/1100616989.db2.gz SFBNCRJOMPYOBM-UHFFFAOYSA-N 0 0 345.370 2.602 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001634983319 1100639095 /nfs/dbraw/zinc/63/90/95/1100639095.db2.gz TXSLWQZJPLBRLE-CQSZACIVSA-N 0 0 346.814 2.689 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccnn1-c1ccccc1 ZINC001635065029 1100643011 /nfs/dbraw/zinc/64/30/11/1100643011.db2.gz XXFKFBARRRZBOP-VQHVLOKHSA-N 0 0 349.390 2.656 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC001635657871 1100672540 /nfs/dbraw/zinc/67/25/40/1100672540.db2.gz DMOAUZQPCLHRCP-AWEZNQCLSA-N 0 0 328.343 2.616 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001635687488 1100674139 /nfs/dbraw/zinc/67/41/39/1100674139.db2.gz FSYQGZMJQMSUIV-NGKAXPBTSA-N 0 0 343.354 2.850 10 10 EFCERN COc1ccc(N2CCN(C(=O)C(C)(C)CCC(C)=O)CC2)cc1 ZINC001635784508 1100679184 /nfs/dbraw/zinc/67/91/84/1100679184.db2.gz OLJPVSJCQHPQDX-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(F)cc(C)c3N)CC2)cc1 ZINC001635785228 1100679500 /nfs/dbraw/zinc/67/95/00/1100679500.db2.gz ZSZNENCMUWRSFD-UHFFFAOYSA-N 0 0 343.402 2.687 10 10 EFCERN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1O ZINC001635803202 1100680665 /nfs/dbraw/zinc/68/06/65/1100680665.db2.gz AWGVYUIZRJKVJS-VIFPVBQESA-N 0 0 330.296 2.520 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cc(C(F)F)n[nH]1 ZINC001635839396 1100683079 /nfs/dbraw/zinc/68/30/79/1100683079.db2.gz BXSNWFRBPQMJNI-UHFFFAOYSA-N 0 0 346.131 2.745 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(C(F)(F)F)c1 ZINC001635884376 1100685563 /nfs/dbraw/zinc/68/55/63/1100685563.db2.gz XAVUMDQWPQRBGI-DUXPYHPUSA-N 0 0 338.285 2.841 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001635963672 1100690335 /nfs/dbraw/zinc/69/03/35/1100690335.db2.gz AUVUVDCPPKFJPX-JKSUJKDBSA-N 0 0 345.439 2.867 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ncc(Cl)cc1Cl ZINC001636022350 1100694547 /nfs/dbraw/zinc/69/45/47/1100694547.db2.gz JYQJHSWCCYWXLJ-UHFFFAOYSA-N 0 0 327.167 2.772 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001636678024 1100732630 /nfs/dbraw/zinc/73/26/30/1100732630.db2.gz ZTBGUJJTDNBLDW-NBEHIINDSA-N 0 0 349.390 2.865 10 10 EFCERN CCc1noc([C@@H]2CC[C@H](NC(=O)/C=C\c3ccc(O)c(O)c3)C2)n1 ZINC001636675765 1100732859 /nfs/dbraw/zinc/73/28/59/1100732859.db2.gz SJSJZHNJXZNBFG-FTBGMHHGSA-N 0 0 343.383 2.509 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cc(F)c(F)cc2C1 ZINC001636766895 1100736881 /nfs/dbraw/zinc/73/68/81/1100736881.db2.gz PEVSGTSZQNECLD-RQOWECAXSA-N 0 0 331.318 2.974 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001636870348 1100742773 /nfs/dbraw/zinc/74/27/73/1100742773.db2.gz XWVSEBVHMGUIFL-VPUAMMGXSA-N 0 0 340.379 2.543 10 10 EFCERN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001636871365 1100742881 /nfs/dbraw/zinc/74/28/81/1100742881.db2.gz OLDMOUDKUOLMIS-VIFPVBQESA-N 0 0 329.360 2.987 10 10 EFCERN CNc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC001636951065 1100746732 /nfs/dbraw/zinc/74/67/32/1100746732.db2.gz OWFYBLPSXXOZDW-INIZCTEOSA-N 0 0 341.411 2.650 10 10 EFCERN Cc1n[nH]c(C)c1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001637108632 1100757717 /nfs/dbraw/zinc/75/77/17/1100757717.db2.gz VBLSWWIEUSOCBV-UHFFFAOYSA-N 0 0 346.394 2.917 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c(O)c1O ZINC001637329519 1100773331 /nfs/dbraw/zinc/77/33/31/1100773331.db2.gz GPOLSKILYLVZTN-UHFFFAOYSA-N 0 0 338.367 2.762 10 10 EFCERN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c(OC)c1 ZINC001637482933 1100785883 /nfs/dbraw/zinc/78/58/83/1100785883.db2.gz QTKJDDFDPQNJPA-LLVKDONJSA-N 0 0 331.368 2.914 10 10 EFCERN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](O)c1ccccc1 ZINC001637594867 1100792604 /nfs/dbraw/zinc/79/26/04/1100792604.db2.gz DUMKPRRDFFOJQX-NCHZDABHSA-N 0 0 327.380 2.739 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001637704089 1100801075 /nfs/dbraw/zinc/80/10/75/1100801075.db2.gz XRGROWNWAWYYOM-CQSZACIVSA-N 0 0 346.814 2.689 10 10 EFCERN Cc1nonc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001638111149 1100834577 /nfs/dbraw/zinc/83/45/77/1100834577.db2.gz ZXNWLFWJGNNIKI-UHFFFAOYSA-N 0 0 342.355 2.589 10 10 EFCERN C[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1F ZINC001638353005 1100850890 /nfs/dbraw/zinc/85/08/90/1100850890.db2.gz YSIWGWNUNGVBHK-VIFPVBQESA-N 0 0 334.303 2.565 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(Cl)c2c(c1)OCCCO2 ZINC001638352236 1100851594 /nfs/dbraw/zinc/85/15/94/1100851594.db2.gz NGFQEDOQLPSZCD-UHFFFAOYSA-N 0 0 349.770 2.843 10 10 EFCERN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1CC(F)(F)F ZINC001638420606 1100858353 /nfs/dbraw/zinc/85/83/53/1100858353.db2.gz GPJJCQIMOLCRQI-HYXAFXHYSA-N 0 0 341.289 2.817 10 10 EFCERN CN(CCc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001638438209 1100859081 /nfs/dbraw/zinc/85/90/81/1100859081.db2.gz ZPNRFNYAUWHESB-QPJJXVBHSA-N 0 0 341.363 2.541 10 10 EFCERN CCc1noc2ncc(C(=O)NCc3ccc4cccnc4c3O)cc12 ZINC001638570111 1100869935 /nfs/dbraw/zinc/86/99/35/1100869935.db2.gz SUSWENJYTCAIHW-UHFFFAOYSA-N 0 0 348.362 2.969 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(-c2ncon2)cc1 ZINC001638573025 1100870424 /nfs/dbraw/zinc/87/04/24/1100870424.db2.gz GLYBQIQVPJFEHH-UHFFFAOYSA-N 0 0 346.346 2.920 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(C2CC2)[nH]c1=O ZINC001638573373 1100871157 /nfs/dbraw/zinc/87/11/57/1100871157.db2.gz UDIBYYBYOLKQFJ-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN Cn1cc(Oc2ccccc2C(=O)NCc2c(O)cccc2F)cn1 ZINC001638863394 1100893008 /nfs/dbraw/zinc/89/30/08/1100893008.db2.gz NITIIDOHKQBPOH-UHFFFAOYSA-N 0 0 341.342 2.987 10 10 EFCERN O=C(NCc1ccc2nonc2c1)NCc1cc(Cl)ccc1O ZINC001638901798 1100897141 /nfs/dbraw/zinc/89/71/41/1100897141.db2.gz AIYWSYIECMYJCO-UHFFFAOYSA-N 0 0 332.747 2.581 10 10 EFCERN COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1O)C1CCCCCC1 ZINC001639002220 1100903586 /nfs/dbraw/zinc/90/35/86/1100903586.db2.gz MUWFBCYEQLBVHT-OAHLLOKOSA-N 0 0 349.427 2.896 10 10 EFCERN O=C(Cc1cccc(Br)c1)NCc1c(O)cccc1O ZINC001639289090 1100933995 /nfs/dbraw/zinc/93/39/95/1100933995.db2.gz JDSPGUUIVIJFFB-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2ccc(F)cc2)CCOCC1 ZINC001639289117 1100934196 /nfs/dbraw/zinc/93/41/96/1100934196.db2.gz KHIXZUCHOICFHX-UHFFFAOYSA-N 0 0 345.370 2.602 10 10 EFCERN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(O)c(O)c2)nc1C ZINC001639293945 1100934914 /nfs/dbraw/zinc/93/49/14/1100934914.db2.gz MUJGMDCDWLSJKD-FNORWQNLSA-N 0 0 348.380 2.691 10 10 EFCERN Cc1cc(Cl)c(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001639292732 1100935202 /nfs/dbraw/zinc/93/52/02/1100935202.db2.gz OEHMNXAHMYEEBU-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)cc[nH]c1=O ZINC001639341210 1100939633 /nfs/dbraw/zinc/93/96/33/1100939633.db2.gz PQAZUGZVQDLDPB-CQSZACIVSA-N 0 0 327.428 2.831 10 10 EFCERN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001639387526 1100943290 /nfs/dbraw/zinc/94/32/90/1100943290.db2.gz MZRYLFRSURRXOR-SGTLLEGYSA-N 0 0 328.412 2.712 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001639444534 1100949400 /nfs/dbraw/zinc/94/94/00/1100949400.db2.gz OUMULMLFBBCILE-AWEZNQCLSA-N 0 0 342.178 2.754 10 10 EFCERN CSc1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001639440973 1100949501 /nfs/dbraw/zinc/94/95/01/1100949501.db2.gz DNELWEUCWPWBLY-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN Nc1c(F)cc(F)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001639624856 1100967123 /nfs/dbraw/zinc/96/71/23/1100967123.db2.gz NAXSGHPSEQQGAS-UHFFFAOYSA-N 0 0 329.306 2.731 10 10 EFCERN O=C(COc1ccc(F)cc1)NCc1ccc2cccnc2c1O ZINC001639621815 1100967768 /nfs/dbraw/zinc/96/77/68/1100967768.db2.gz VBDKUBOTSVANKF-UHFFFAOYSA-N 0 0 326.327 2.775 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2c(F)c(F)ccc21 ZINC001639718024 1100977211 /nfs/dbraw/zinc/97/72/11/1100977211.db2.gz PYXOVCFAGCUZGG-KXFIGUGUSA-N 0 0 333.290 2.815 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC001639720621 1100977609 /nfs/dbraw/zinc/97/76/09/1100977609.db2.gz NPIUAYGWLPFYTB-OLZOCXBDSA-N 0 0 349.333 2.914 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@](C)(O)CCc1ccccc1 ZINC001640260086 1101030760 /nfs/dbraw/zinc/03/07/60/1101030760.db2.gz QFGZOIMMJCUBKK-FQEVSTJZSA-N 0 0 348.439 2.878 10 10 EFCERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1ccc(O)c(O)c1 ZINC001640302478 1101033350 /nfs/dbraw/zinc/03/33/50/1101033350.db2.gz OHTLSNJIINVRPI-UHFFFAOYSA-N 0 0 337.379 2.689 10 10 EFCERN C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CS1 ZINC000840414826 1101067652 /nfs/dbraw/zinc/06/76/52/1101067652.db2.gz UFUFVKZKYIZOKF-GZMMTYOYSA-N 0 0 345.262 2.848 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)cc1 ZINC001640371200 1101040422 /nfs/dbraw/zinc/04/04/22/1101040422.db2.gz PRTXHDSLJMWLKM-UHFFFAOYSA-N 0 0 349.297 2.775 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCn2ccnc21 ZINC000840382544 1101051009 /nfs/dbraw/zinc/05/10/09/1101051009.db2.gz RNHZCWPOYTZLFC-RHSMWYFYSA-N 0 0 341.459 2.633 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCn2ccnc21 ZINC000840382547 1101051933 /nfs/dbraw/zinc/05/19/33/1101051933.db2.gz RNHZCWPOYTZLFC-WMLDXEAASA-N 0 0 341.459 2.633 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cc1 ZINC001640559238 1101059063 /nfs/dbraw/zinc/05/90/63/1101059063.db2.gz GXFUDCMNFGYWDU-ARFHVFGLSA-N 0 0 339.439 2.832 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cnccn2)c1 ZINC001640607320 1101063104 /nfs/dbraw/zinc/06/31/04/1101063104.db2.gz RRKSKEKMXICXCF-UHFFFAOYSA-N 0 0 334.379 2.627 10 10 EFCERN COC(=O)c1ccccc1CC(=O)NCc1cc(Cl)ccc1O ZINC001640924117 1101089185 /nfs/dbraw/zinc/08/91/85/1101089185.db2.gz HPCZXPXFXAJWBU-UHFFFAOYSA-N 0 0 333.771 2.691 10 10 EFCERN CN(C)c1nccc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21 ZINC001640985332 1101094167 /nfs/dbraw/zinc/09/41/67/1101094167.db2.gz BVPPVYPQCGQPKL-UHFFFAOYSA-N 0 0 337.379 2.893 10 10 EFCERN COc1ccccc1[C@H](C)N(OC)C(=O)Cc1ccc(O)c(O)c1 ZINC001641063622 1101099345 /nfs/dbraw/zinc/09/93/45/1101099345.db2.gz MFRIVIRVKHKAMX-LBPRGKRZSA-N 0 0 331.368 2.800 10 10 EFCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](CO)C(C)C ZINC001641202285 1101113508 /nfs/dbraw/zinc/11/35/08/1101113508.db2.gz SDOZFQRJLXIBPZ-LSDHHAIUSA-N 0 0 334.420 2.868 10 10 EFCERN CC(C)[C@@H](CO)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001641202282 1101113822 /nfs/dbraw/zinc/11/38/22/1101113822.db2.gz SDOZFQRJLXIBPZ-CABCVRRESA-N 0 0 334.420 2.868 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(=O)[nH]n2)c(C)n1-c1cccc(C)c1 ZINC001641229261 1101117269 /nfs/dbraw/zinc/11/72/69/1101117269.db2.gz LKUICESWTAPVET-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN COC(=O)c1cc(OCc2cc(C=O)ccc2OC)ccc1N(C)C ZINC001641368461 1101129768 /nfs/dbraw/zinc/12/97/68/1101129768.db2.gz HNOPIYVEEZCVFI-UHFFFAOYSA-N 0 0 343.379 2.939 10 10 EFCERN COCC1(O)CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001641425357 1101135455 /nfs/dbraw/zinc/13/54/55/1101135455.db2.gz JSBDRVAIWNPGFT-UHFFFAOYSA-N 0 0 342.439 2.544 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC001641497095 1101142157 /nfs/dbraw/zinc/14/21/57/1101142157.db2.gz WWJQBYPFPITBBW-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nnc(/C=C\c2ccco2)s1 ZINC001642064988 1101187175 /nfs/dbraw/zinc/18/71/75/1101187175.db2.gz VJUJPFSQOVWENJ-XQRVVYSFSA-N 0 0 343.364 2.894 10 10 EFCERN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1S(C)(=O)=O ZINC001642824348 1101245211 /nfs/dbraw/zinc/24/52/11/1101245211.db2.gz RBTBUDZCSLOHGZ-GFCCVEGCSA-N 0 0 333.409 2.595 10 10 EFCERN C[C@@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O ZINC001642828089 1101245880 /nfs/dbraw/zinc/24/58/80/1101245880.db2.gz ZGUSSYNBAIKXML-DYEKYZERSA-N 0 0 334.416 2.730 10 10 EFCERN CCOC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001643100544 1101269385 /nfs/dbraw/zinc/26/93/85/1101269385.db2.gz AKBKWWPUNNJRAQ-UHFFFAOYSA-N 0 0 330.340 2.596 10 10 EFCERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001643104288 1101270811 /nfs/dbraw/zinc/27/08/11/1101270811.db2.gz STMGSJZRQRFANY-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN O=C(CCc1nc(-c2cccs2)no1)N1Cc2cccc(O)c2C1 ZINC001643169901 1101277053 /nfs/dbraw/zinc/27/70/53/1101277053.db2.gz VZFOCVWFMSIFNR-UHFFFAOYSA-N 0 0 341.392 2.979 10 10 EFCERN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](CO)c1ccccc1 ZINC001643500636 1101304691 /nfs/dbraw/zinc/30/46/91/1101304691.db2.gz SCCAEQNQXLRPDK-PXUDHTSWSA-N 0 0 327.380 2.693 10 10 EFCERN COC(=O)c1oc(COc2ccc(N(C)C)c(C(=O)OC)c2)cc1C ZINC001652165525 1101445258 /nfs/dbraw/zinc/44/52/58/1101445258.db2.gz VEVHZBGEKNLYRE-UHFFFAOYSA-N 0 0 347.367 2.806 10 10 EFCERN Cc1nnc(-c2cccc(C(=O)NCc3c(O)cccc3F)c2)o1 ZINC001652295657 1101470924 /nfs/dbraw/zinc/47/09/24/1101470924.db2.gz OAJBKGTYNBOZGS-UHFFFAOYSA-N 0 0 327.315 2.820 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC(F)(F)F)cc1 ZINC001652622803 1101522674 /nfs/dbraw/zinc/52/26/74/1101522674.db2.gz IJYULECNGHILGB-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1c(O)cccc1O ZINC001652628449 1101523608 /nfs/dbraw/zinc/52/36/08/1101523608.db2.gz CMPAALKUNQKOBN-JTQLQIEISA-N 0 0 331.393 2.611 10 10 EFCERN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708503 1101532930 /nfs/dbraw/zinc/53/29/30/1101532930.db2.gz FFOFHNDHGIMEDA-BEFAXECRSA-N 0 0 343.423 2.993 10 10 EFCERN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(N)c1[N+](=O)[O-] ZINC001653214690 1101597473 /nfs/dbraw/zinc/59/74/73/1101597473.db2.gz MBIUMDMSYURMCF-DAXSKMNVSA-N 0 0 329.312 2.549 10 10 EFCERN C/C(=C\C(=O)N(C)c1ccc(Br)nc1)c1cnccn1 ZINC001126579041 1101607956 /nfs/dbraw/zinc/60/79/56/1101607956.db2.gz SKYJGSQZEURWPP-JXMROGBWSA-N 0 0 333.189 2.700 10 10 EFCERN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1cccc(Cl)c1O ZINC001653567387 1101632580 /nfs/dbraw/zinc/63/25/80/1101632580.db2.gz XCUFFSGGCANJQB-GFCCVEGCSA-N 0 0 348.761 2.927 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1 ZINC001654259382 1101699380 /nfs/dbraw/zinc/69/93/80/1101699380.db2.gz PCQRVXGGPZFIPS-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN COC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000843554628 1101726464 /nfs/dbraw/zinc/72/64/64/1101726464.db2.gz ORKKZXXNFPWZNL-GFCCVEGCSA-N 0 0 340.370 2.552 10 10 EFCERN CCOc1ccc(N(CCN2C(=O)NC(C)(C)C2=O)CC2CC2)cc1 ZINC001654518641 1101728445 /nfs/dbraw/zinc/72/84/45/1101728445.db2.gz RPXXJIMDUDCJCR-UHFFFAOYSA-N 0 0 345.443 2.632 10 10 EFCERN Cc1ccc(-c2nnco2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001625833215 1101749991 /nfs/dbraw/zinc/74/99/91/1101749991.db2.gz LTHAZCMFFAIFPQ-UHFFFAOYSA-N 0 0 325.324 2.637 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(C)(C)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001655561823 1101848211 /nfs/dbraw/zinc/84/82/11/1101848211.db2.gz HVMMHCJAVKBJCK-VWEWAFOGSA-N 0 0 346.383 2.642 10 10 EFCERN CC(C)NC(=O)c1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404561 1101906259 /nfs/dbraw/zinc/90/62/59/1101906259.db2.gz YTCPZKPGYPVRBN-NTMALXAHSA-N 0 0 340.379 2.888 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000588405508 1101917822 /nfs/dbraw/zinc/91/78/22/1101917822.db2.gz VHKGCWRUXDERES-POHAHGRESA-N 0 0 338.363 2.642 10 10 EFCERN CC(=O)N(C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588406739 1101930818 /nfs/dbraw/zinc/93/08/18/1101930818.db2.gz HRHIUYNNAJHBRS-CLFYSBASSA-N 0 0 326.352 2.732 10 10 EFCERN c1nn(Cc2ccccn2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC001656313317 1102030365 /nfs/dbraw/zinc/03/03/65/1102030365.db2.gz NPBCZPPPKSFHIF-UHFFFAOYSA-N 0 0 349.438 2.775 10 10 EFCERN CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Br)cc1F ZINC001125372082 1102318491 /nfs/dbraw/zinc/31/84/91/1102318491.db2.gz MYNDSGOJXFHAHQ-XQRVVYSFSA-N 0 0 338.180 2.998 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)c1 ZINC001167293939 1102340162 /nfs/dbraw/zinc/34/01/62/1102340162.db2.gz VOOKDUZFHFFMBB-MRXNPFEDSA-N 0 0 346.333 2.788 10 10 EFCERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(C)ccc1O ZINC001167293622 1102340792 /nfs/dbraw/zinc/34/07/92/1102340792.db2.gz LUHAAJDYRQPRMS-UHFFFAOYSA-N 0 0 330.340 2.938 10 10 EFCERN CCCC[C@H](C(=O)OC)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001657876132 1102416559 /nfs/dbraw/zinc/41/65/59/1102416559.db2.gz PAVAGIXKUMHIMG-GOSISDBHSA-N 0 0 334.460 2.939 10 10 EFCERN O=C(NCCCSc1nccs1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000074136056 1102445959 /nfs/dbraw/zinc/44/59/59/1102445959.db2.gz BGQHTQQLUCANPG-GFCCVEGCSA-N 0 0 347.465 2.868 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc4nc[nH]c43)CC2)cc1 ZINC000074732431 1102487042 /nfs/dbraw/zinc/48/70/42/1102487042.db2.gz NFPPDNAWQNSZQB-UHFFFAOYSA-N 0 0 336.395 2.534 10 10 EFCERN Cc1ccc(C(=O)N2CCCc3c4ncn(C)c4ccc32)c(O)c1O ZINC001648856298 1102522276 /nfs/dbraw/zinc/52/22/76/1102522276.db2.gz XILBEMWUCQJVOZ-UHFFFAOYSA-N 0 0 337.379 2.886 10 10 EFCERN C[C@@H](NC(=O)c1csc(-c2cnccn2)n1)c1ccccc1O ZINC001648889817 1102549298 /nfs/dbraw/zinc/54/92/98/1102549298.db2.gz NIWUSXFSJBEUKT-SNVBAGLBSA-N 0 0 326.381 2.797 10 10 EFCERN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001648892207 1102555941 /nfs/dbraw/zinc/55/59/41/1102555941.db2.gz QMYYCKCWEGZLHA-LBPRGKRZSA-N 0 0 329.356 2.980 10 10 EFCERN c1cc(N2CCCC2)ccc1CNCc1nnc2n1CCCCC2 ZINC001660790940 1102976349 /nfs/dbraw/zinc/97/63/49/1102976349.db2.gz SQWZLBMTYYXCLE-UHFFFAOYSA-N 0 0 325.460 2.895 10 10 EFCERN CCC[C@@H](CC)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001625951483 1103129175 /nfs/dbraw/zinc/12/91/75/1103129175.db2.gz CMHCVVVQIZJHRF-QGZVFWFLSA-N 0 0 347.503 2.760 10 10 EFCERN CC[C@](O)(CN1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905874368 1103677192 /nfs/dbraw/zinc/67/71/92/1103677192.db2.gz KBVFPXIYHMSQRL-HNNXBMFYSA-N 0 0 332.366 2.521 10 10 EFCERN COC(=O)c1cnc(SC[C@H](O)C[C@@H](O)c2ccccc2)s1 ZINC000905957104 1103778926 /nfs/dbraw/zinc/77/89/26/1103778926.db2.gz LNRUNFGOZCQHND-VXGBXAGGSA-N 0 0 339.438 2.506 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2cnn(C3CC3)c2N)C2CC2)cc1 ZINC000905956265 1103779803 /nfs/dbraw/zinc/77/98/03/1103779803.db2.gz JZQDYVSPYCKINE-UHFFFAOYSA-N 0 0 339.443 2.671 10 10 EFCERN Cc1cc(C)c(CC(=O)NCc2ccc(N3CCCC3)cc2)c(=O)[nH]1 ZINC000906108683 1103922207 /nfs/dbraw/zinc/92/22/07/1103922207.db2.gz AYAMVUUPODFGPC-UHFFFAOYSA-N 0 0 339.439 2.863 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906261350 1104077596 /nfs/dbraw/zinc/07/75/96/1104077596.db2.gz PMRLANDLOOUIOD-MSOLQXFVSA-N 0 0 346.496 2.671 10 10 EFCERN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCO1 ZINC000906261848 1104078436 /nfs/dbraw/zinc/07/84/36/1104078436.db2.gz ZSWMMXLDVAQVTB-YOEHRIQHSA-N 0 0 334.485 2.671 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(C2CC2)CCC1 ZINC000906316694 1104113721 /nfs/dbraw/zinc/11/37/21/1104113721.db2.gz GSLIKVKYRAORSN-UHFFFAOYSA-N 0 0 332.419 2.859 10 10 EFCERN Cc1cc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000729703063 1104873345 /nfs/dbraw/zinc/87/33/45/1104873345.db2.gz AUWSIXVKQPDWEK-KRWDZBQOSA-N 0 0 343.427 2.759 10 10 EFCERN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)sc2n1 ZINC000729701850 1104876561 /nfs/dbraw/zinc/87/65/61/1104876561.db2.gz WQNLXOGYVLQEJE-CYBMUJFWSA-N 0 0 349.456 2.765 10 10 EFCERN COC1(C(F)(F)F)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001671851088 1105714461 /nfs/dbraw/zinc/71/44/61/1105714461.db2.gz AUUGASIAHZFEFG-NSHDSACASA-N 0 0 345.365 2.786 10 10 EFCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C2CC2)O1 ZINC000897613970 1105960409 /nfs/dbraw/zinc/96/04/09/1105960409.db2.gz FPPPURREAKZXJR-XPTSAGLGSA-N 0 0 333.409 2.952 10 10 EFCERN COc1ccc(CNC(=O)C[C@H]2CCc3sccc3C2=O)c(O)c1 ZINC000897628663 1106005934 /nfs/dbraw/zinc/00/59/34/1106005934.db2.gz HKNSMPHVOSOMJC-LLVKDONJSA-N 0 0 345.420 2.914 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](n2cccn2)C1 ZINC000897813630 1106091142 /nfs/dbraw/zinc/09/11/42/1106091142.db2.gz XHYSLWRDCDOGDS-LLVKDONJSA-N 0 0 329.381 2.596 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](C2CCC2)C1 ZINC000897969815 1106155640 /nfs/dbraw/zinc/15/56/40/1106155640.db2.gz HKLDSYYSGLIHAD-AWEZNQCLSA-N 0 0 333.409 2.954 10 10 EFCERN COC(C)(C)c1nc(C)c(C(=O)NCc2ccc(O)cc2O)s1 ZINC001142533186 1106238619 /nfs/dbraw/zinc/23/86/19/1106238619.db2.gz FYTCXVLWGIBLLL-UHFFFAOYSA-N 0 0 336.413 2.674 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001142532990 1106238752 /nfs/dbraw/zinc/23/87/52/1106238752.db2.gz BPKWNHCUYAJTCU-UHFFFAOYSA-N 0 0 349.390 2.702 10 10 EFCERN Nc1cc(Cl)c(Cl)cc1C(=O)NCc1ccc(O)cc1O ZINC001142537469 1106260442 /nfs/dbraw/zinc/26/04/42/1106260442.db2.gz LIJWJECLEXTYNB-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN CC(C)(C)N1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1=O ZINC000898277511 1106302220 /nfs/dbraw/zinc/30/22/20/1106302220.db2.gz OPCSPJQKKKWJLX-ZDUSSCGKSA-N 0 0 338.835 2.699 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)NCCCSc3nccs3)c2C1 ZINC000843796557 1106319349 /nfs/dbraw/zinc/31/93/49/1106319349.db2.gz NXQKLYIVRQQKPF-LLVKDONJSA-N 0 0 336.486 2.834 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC001127203157 1106846027 /nfs/dbraw/zinc/84/60/27/1106846027.db2.gz GOXXORDDKUZISU-RAXLEYEMSA-N 0 0 330.409 2.551 10 10 EFCERN C[C@@H](OC(=O)/C=C/c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 ZINC000083888680 1107015906 /nfs/dbraw/zinc/01/59/06/1107015906.db2.gz DWXRJAIJWQDFQV-TUPIDYKKSA-N 0 0 342.439 2.636 10 10 EFCERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001679413030 1107560606 /nfs/dbraw/zinc/56/06/06/1107560606.db2.gz TWKKXCPOEVZKBB-UHFFFAOYSA-N 0 0 343.339 2.534 10 10 EFCERN Nc1ccc(Cc2noc(C[C@H]3CCC4(CCOCC4)CO3)n2)cc1 ZINC000904078242 1107585393 /nfs/dbraw/zinc/58/53/93/1107585393.db2.gz WLNRMUIQQJLYQK-MRXNPFEDSA-N 0 0 343.427 2.761 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCOCC1 ZINC001681030553 1108110592 /nfs/dbraw/zinc/11/05/92/1108110592.db2.gz SPIMOFFUVREQFP-QGZVFWFLSA-N 0 0 331.460 2.997 10 10 EFCERN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926960586 1108292368 /nfs/dbraw/zinc/29/23/68/1108292368.db2.gz GABRLBCOKDWFOB-RNCFNFMXSA-N 0 0 335.326 2.834 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC001681887453 1108467331 /nfs/dbraw/zinc/46/73/31/1108467331.db2.gz GGBKYBPAJUQLHL-MJGOQNOKSA-N 0 0 345.487 2.979 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC001681887454 1108467832 /nfs/dbraw/zinc/46/78/32/1108467832.db2.gz GGBKYBPAJUQLHL-PKOBYXMFSA-N 0 0 345.487 2.979 10 10 EFCERN Cc1ncc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001681900902 1108473631 /nfs/dbraw/zinc/47/36/31/1108473631.db2.gz SBWGGSHETWFSCJ-UHFFFAOYSA-N 0 0 328.416 2.925 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC001682627936 1108624018 /nfs/dbraw/zinc/62/40/18/1108624018.db2.gz HWYGSUSUJCUEMN-WMZOPIPTSA-N 0 0 341.411 2.849 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2ncc(C(F)(F)F)cn2)c1 ZINC001682711839 1108637019 /nfs/dbraw/zinc/63/70/19/1108637019.db2.gz XBFGSXUZPKSTRJ-UHFFFAOYSA-N 0 0 340.305 2.509 10 10 EFCERN CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001682726620 1108640856 /nfs/dbraw/zinc/64/08/56/1108640856.db2.gz GGQALLUFAGEMHR-SFHVURJKSA-N 0 0 331.460 2.853 10 10 EFCERN CN(C(=O)/C=C/c1cncc(F)c1)c1cccnc1N1CCCC1 ZINC001126840518 1108800509 /nfs/dbraw/zinc/80/05/09/1108800509.db2.gz HWISSSVKDGDOMB-VOTSOKGWSA-N 0 0 326.375 2.892 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898673369 1109050997 /nfs/dbraw/zinc/05/09/97/1109050997.db2.gz WIUWZJNKIGFFFD-BLLLJJGKSA-N 0 0 336.819 2.804 10 10 EFCERN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898808030 1109089565 /nfs/dbraw/zinc/08/95/65/1109089565.db2.gz JFYALKGXLSOYSZ-GXSJLCMTSA-N 0 0 349.408 2.726 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(C(F)F)CC1 ZINC000843803017 1109166828 /nfs/dbraw/zinc/16/68/28/1109166828.db2.gz PUTUJKGLZUCPAU-UHFFFAOYSA-N 0 0 338.398 2.557 10 10 EFCERN O=C(N[C@H]1CCCn2nccc21)c1cc2cc(O)c(O)cc2s1 ZINC000899186326 1109241059 /nfs/dbraw/zinc/24/10/59/1109241059.db2.gz BOMWZHZANJRKBF-JTQLQIEISA-N 0 0 329.381 2.774 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899624725 1109416896 /nfs/dbraw/zinc/41/68/96/1109416896.db2.gz KWLCLFGSLRMSTJ-HZMBPMFUSA-N 0 0 333.409 2.954 10 10 EFCERN CS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)cc1 ZINC000914836917 1111395721 /nfs/dbraw/zinc/39/57/21/1111395721.db2.gz XUUJDTZPKZEHPU-UHFFFAOYSA-N 0 0 339.417 2.543 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC001299225498 1112329699 /nfs/dbraw/zinc/32/96/99/1112329699.db2.gz PMYVOUGTGGIWNI-JKSUJKDBSA-N 0 0 344.415 2.862 10 10 EFCERN CCC1(CC)CN(Cc2cc(F)cc(C(C)=O)c2O)CC[S@]1=O ZINC000185283538 1119982295 /nfs/dbraw/zinc/98/22/95/1119982295.db2.gz COXJPNZMOBJIHZ-HSZRJFAPSA-N 0 0 341.448 2.857 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC001299243559 1120698886 /nfs/dbraw/zinc/69/88/86/1120698886.db2.gz VZLLDZDYBIUABQ-CVEARBPZSA-N 0 0 338.367 2.797 10 10 EFCERN CNC(=O)c1cc(N(C)C(=O)/C=C\c2cn(C)c3ccccc23)ccn1 ZINC000098056113 219075494 /nfs/dbraw/zinc/07/54/94/219075494.db2.gz DVHGGJZTOVBNQZ-HJWRWDBZSA-N 0 0 348.406 2.609 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cc(C)oc1C ZINC000066096206 215009932 /nfs/dbraw/zinc/00/99/32/215009932.db2.gz SJURVVGVQXHSAE-UHFFFAOYSA-N 0 0 344.411 2.771 10 10 EFCERN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=N)S1 ZINC000003863037 210080824 /nfs/dbraw/zinc/08/08/24/210080824.db2.gz XFYBZHZGNZUATP-IABHOJOBSA-N 0 0 342.380 2.835 10 10 EFCERN O=C1C(=CN2CCCC2)C(=O)N(c2ccccc2)N1c1ccccc1 ZINC000003613610 210066591 /nfs/dbraw/zinc/06/65/91/210066591.db2.gz NMWZBDMRHPCRFW-UHFFFAOYSA-N 0 0 333.391 2.961 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000003331267 210008765 /nfs/dbraw/zinc/00/87/65/210008765.db2.gz GCIKDRVVYIWUGK-UHFFFAOYSA-N 0 0 339.439 2.836 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000364035548 290851512 /nfs/dbraw/zinc/85/15/12/290851512.db2.gz QNGQRABDFUEWEI-BRLPQQTGSA-N 0 0 342.355 2.846 10 10 EFCERN C[C@@H](NC(=O)NCc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000069568798 215478938 /nfs/dbraw/zinc/47/89/38/215478938.db2.gz UTTKYAHXWQPJKG-CYBMUJFWSA-N 0 0 346.456 2.540 10 10 EFCERN CCN(C)c1ccc(CNC(=O)CCc2c(C)nn(C)c2C)cc1F ZINC000069588444 215486630 /nfs/dbraw/zinc/48/66/30/215486630.db2.gz ZOAWGIUHAZBKIY-UHFFFAOYSA-N 0 0 346.450 2.881 10 10 EFCERN CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)CC)c(F)c2)C1 ZINC000069737055 215551282 /nfs/dbraw/zinc/55/12/82/215551282.db2.gz SOEHNMCADSCGJN-HNNXBMFYSA-N 0 0 349.450 2.547 10 10 EFCERN CCOC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000035640812 213043958 /nfs/dbraw/zinc/04/39/58/213043958.db2.gz DLDUDHCTSHWRMI-LUAWRHEFSA-N 0 0 325.411 2.824 10 10 EFCERN Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cn1 ZINC000035678349 213045038 /nfs/dbraw/zinc/04/50/38/213045038.db2.gz YDDIKTFXZUHITC-ZROIWOOFSA-N 0 0 329.450 2.864 10 10 EFCERN CC1=CC2=NC(=O)/C(=C\c3cccn3Cc3ccccc3)C(=N)N2O1 ZINC000032969676 212882746 /nfs/dbraw/zinc/88/27/46/212882746.db2.gz FLMOTBQENFHNIO-NVTBELRMSA-N 0 0 332.363 2.987 10 10 EFCERN Nc1ccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000162882555 239095669 /nfs/dbraw/zinc/09/56/69/239095669.db2.gz YWVWGCDHTKSVCT-HOTGVXAUSA-N 0 0 330.453 2.988 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000364035550 283708678 /nfs/dbraw/zinc/70/86/78/283708678.db2.gz QNGQRABDFUEWEI-VSKVDJIOSA-N 0 0 342.355 2.846 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172631665 239173135 /nfs/dbraw/zinc/17/31/35/239173135.db2.gz FNVKEFQBDFQOLU-VQTJNVASSA-N 0 0 349.434 2.520 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192983368 240078768 /nfs/dbraw/zinc/07/87/68/240078768.db2.gz OHFXEYVAWJWFAW-BDAKNGLRSA-N 0 0 327.215 2.956 10 10 EFCERN CCO[C@@H]1C[C@@](NCc2ccc(N(C)C)cc2)(C(=O)OC)C1(C)C ZINC000193572008 240113609 /nfs/dbraw/zinc/11/36/09/240113609.db2.gz FXHGMPOVNAQBFR-VQIMIIECSA-N 0 0 334.460 2.589 10 10 EFCERN CCO[C@H]1C[C@](NCc2ccc(N(C)C)cc2)(C(=O)OC)C1(C)C ZINC000193571993 240115213 /nfs/dbraw/zinc/11/52/13/240115213.db2.gz FXHGMPOVNAQBFR-LPHOPBHVSA-N 0 0 334.460 2.589 10 10 EFCERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237407341 240242986 /nfs/dbraw/zinc/24/29/86/240242986.db2.gz XOOMUIMEPYPEST-JCQPUDPBSA-N 0 0 330.453 2.768 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000249204929 240299662 /nfs/dbraw/zinc/29/96/62/240299662.db2.gz RPMZBNIAMVGZEC-USXIJHARSA-N 0 0 325.412 2.786 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251626844 240304769 /nfs/dbraw/zinc/30/47/69/240304769.db2.gz GSMWWOSEEODFGI-KSZLIROESA-N 0 0 329.444 2.654 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1F ZINC000246629865 240270445 /nfs/dbraw/zinc/27/04/45/240270445.db2.gz CBZBFDUSBAPMHZ-LXZKKBNFSA-N 0 0 335.423 2.649 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000248399191 240289714 /nfs/dbraw/zinc/28/97/14/240289714.db2.gz OKWXPALIXNAYCU-FMTVUPSXSA-N 0 0 327.380 2.710 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000248399194 240290205 /nfs/dbraw/zinc/29/02/05/240290205.db2.gz OKWXPALIXNAYCU-SOZUMNATSA-N 0 0 327.380 2.710 10 10 EFCERN Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264627909 240431536 /nfs/dbraw/zinc/43/15/36/240431536.db2.gz KTVIOTAOGTUHAB-RMKNXTFCSA-N 0 0 340.427 2.525 10 10 EFCERN COC(=O)c1occc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000265991266 240470220 /nfs/dbraw/zinc/47/02/20/240470220.db2.gz GDCJWLBINXUVPX-UHFFFAOYSA-N 0 0 335.356 2.728 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ncc2ccccc21 ZINC000266306441 240476750 /nfs/dbraw/zinc/47/67/50/240476750.db2.gz CAYKGAHQURPKRJ-UHFFFAOYSA-N 0 0 336.395 2.528 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCC(=O)NC1 ZINC000281300556 240927720 /nfs/dbraw/zinc/92/77/20/240927720.db2.gz QZCDSKXUTMPEDO-HXUWFJFHSA-N 0 0 343.471 2.552 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cnc(C2CC2)nc1 ZINC000296787883 241099829 /nfs/dbraw/zinc/09/98/29/241099829.db2.gz QNJFFWLIAUNOMF-UHFFFAOYSA-N 0 0 348.200 2.752 10 10 EFCERN CCn1ccnc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298183701 241146281 /nfs/dbraw/zinc/14/62/81/241146281.db2.gz RWAPUXWCXNSXNQ-UHFFFAOYSA-N 0 0 341.459 2.843 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(=O)n(C)c1 ZINC000299268655 241168253 /nfs/dbraw/zinc/16/82/53/241168253.db2.gz LAJOOYPGOJCHKD-UHFFFAOYSA-N 0 0 342.443 2.894 10 10 EFCERN CC(C)CCO[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301651053 241189577 /nfs/dbraw/zinc/18/95/77/241189577.db2.gz GMWTVSJLQAPPIU-GFCCVEGCSA-N 0 0 349.387 2.567 10 10 EFCERN COCc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000297757592 241133215 /nfs/dbraw/zinc/13/32/15/241133215.db2.gz LKZIUEQNAJAIKS-INIZCTEOSA-N 0 0 332.400 2.708 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)CC1CC1 ZINC000297915242 241138092 /nfs/dbraw/zinc/13/80/92/241138092.db2.gz SXJRITVZUOQUFG-UHFFFAOYSA-N 0 0 343.471 2.504 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)c(O)c1 ZINC000225447349 241868262 /nfs/dbraw/zinc/86/82/62/241868262.db2.gz XPRLGQDBGWAGCJ-HNNXBMFYSA-N 0 0 331.393 2.570 10 10 EFCERN Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(C)n1-c1ccccc1C ZINC000361906804 242235779 /nfs/dbraw/zinc/23/57/79/242235779.db2.gz ITPYRJCZOBFEPF-UHFFFAOYSA-N 0 0 335.411 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000363292068 242276295 /nfs/dbraw/zinc/27/62/95/242276295.db2.gz UACJZXMDGFVIOM-GASCZTMLSA-N 0 0 335.423 2.745 10 10 EFCERN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000021024963 212200906 /nfs/dbraw/zinc/20/09/06/212200906.db2.gz TZOJQHYUFIMNMC-AWEZNQCLSA-N 0 0 337.379 2.629 10 10 EFCERN Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000007813602 210851114 /nfs/dbraw/zinc/85/11/14/210851114.db2.gz HEZFEHLOBLJIMW-CQSZACIVSA-N 0 0 326.396 2.918 10 10 EFCERN O=C(NC1=N[C@H](c2ccccc2F)CC(=O)N1)c1ccc(Cl)cc1 ZINC000006817891 210720766 /nfs/dbraw/zinc/72/07/66/210720766.db2.gz MASPLCYGAWKPQC-AWEZNQCLSA-N 0 0 345.761 2.826 10 10 EFCERN CCOc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OCC ZINC000005014034 210362355 /nfs/dbraw/zinc/36/23/55/210362355.db2.gz MSQDNVYBZGQYIC-WNKVGQEKSA-N 0 0 341.367 2.934 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157804897 533124229 /nfs/dbraw/zinc/12/42/29/533124229.db2.gz RHEQWZZRDSEZCT-GQCTYLIASA-N 0 0 347.396 2.916 10 10 EFCERN CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1CC ZINC000007126094 258052822 /nfs/dbraw/zinc/05/28/22/258052822.db2.gz RPOJNHFIWCQLCI-UHFFFAOYSA-N 0 0 332.429 2.508 10 10 EFCERN COC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000170714106 533388528 /nfs/dbraw/zinc/38/85/28/533388528.db2.gz YRPSFWYMLQYSMU-HNNXBMFYSA-N 0 0 341.411 2.514 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1O ZINC000163266478 533500793 /nfs/dbraw/zinc/50/07/93/533500793.db2.gz BNMZCJWDHOCBDR-DOMZBBRYSA-N 0 0 342.395 2.765 10 10 EFCERN O=C(NC1=N[C@H](c2ccccc2Cl)CC(=O)N1)c1cccc(F)c1 ZINC000020530810 274979649 /nfs/dbraw/zinc/97/96/49/274979649.db2.gz FMTAJVNMYFPGKL-AWEZNQCLSA-N 0 0 345.761 2.826 10 10 EFCERN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O ZINC000184703674 277378951 /nfs/dbraw/zinc/37/89/51/277378951.db2.gz VTVQTOXKTFBPHZ-QLFBSQMISA-N 0 0 341.835 2.823 10 10 EFCERN C[C@H]1CN(C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CCCO1 ZINC000175340097 278416377 /nfs/dbraw/zinc/41/63/77/278416377.db2.gz NKAFPZIVRILPPZ-ZDUSSCGKSA-N 0 0 349.386 2.713 10 10 EFCERN CNc1c(Cl)ncnc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000124754772 473296845 /nfs/dbraw/zinc/29/68/45/473296845.db2.gz FRHOVIBZRFEUIX-UHFFFAOYSA-N 0 0 333.823 2.507 10 10 EFCERN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)c(OC)c1 ZINC000185041606 473309100 /nfs/dbraw/zinc/30/91/00/473309100.db2.gz QUHBHKSQFIJUDE-UHFFFAOYSA-N 0 0 328.372 2.729 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083740049 473364573 /nfs/dbraw/zinc/36/45/73/473364573.db2.gz SNPVHCAFJOYAHF-HNNXBMFYSA-N 0 0 343.431 2.749 10 10 EFCERN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)C[C@@H](C)O1 ZINC000005559771 471511646 /nfs/dbraw/zinc/51/16/46/471511646.db2.gz REEWXXWJLMPGNN-QOWMEECXSA-N 0 0 347.396 2.674 10 10 EFCERN O=C(NC1=N[C@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccccc1F ZINC000006868842 471575480 /nfs/dbraw/zinc/57/54/80/471575480.db2.gz ZLLXUZYJVWFZIY-AWEZNQCLSA-N 0 0 345.761 2.826 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000042016811 472105691 /nfs/dbraw/zinc/10/56/91/472105691.db2.gz FPVDDMHKVDBFCE-UHFFFAOYSA-N 0 0 336.395 2.534 10 10 EFCERN C[C@@H]1C[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000075980136 472233550 /nfs/dbraw/zinc/23/35/50/472233550.db2.gz GZOYUHWTWRADFC-IAQYHMDHSA-N 0 0 339.386 2.964 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000044281638 472294879 /nfs/dbraw/zinc/29/48/79/472294879.db2.gz BKLKJCKPTHSOCG-UHFFFAOYSA-N 0 0 347.396 2.627 10 10 EFCERN COC(=O)NC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000057623071 472455982 /nfs/dbraw/zinc/45/59/82/472455982.db2.gz RJCHVMOSMNAXAF-UHFFFAOYSA-N 0 0 328.368 2.584 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CCCCC1 ZINC000070758402 472509314 /nfs/dbraw/zinc/50/93/14/472509314.db2.gz RFQRCGJJPLZCGI-UHFFFAOYSA-N 0 0 331.460 2.997 10 10 EFCERN CCC(=O)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000058269101 472530252 /nfs/dbraw/zinc/53/02/52/472530252.db2.gz GGIRTWDEZFHZFS-UHFFFAOYSA-N 0 0 331.460 2.598 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2nccs2)cc1F ZINC000058733945 472596727 /nfs/dbraw/zinc/59/67/27/472596727.db2.gz APXGWFZAEJGFGM-HNNXBMFYSA-N 0 0 348.447 2.633 10 10 EFCERN CCc1nnc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000071888755 472600561 /nfs/dbraw/zinc/60/05/61/472600561.db2.gz ZXVXAAUAYVYJMQ-VMPITWQZSA-N 0 0 344.440 2.589 10 10 EFCERN CN(C)c1nc2ccc(NCc3cc4c(cc3O)OCO4)cc2o1 ZINC000119921687 472602167 /nfs/dbraw/zinc/60/21/67/472602167.db2.gz SRBVWWQDPADNFF-UHFFFAOYSA-N 0 0 327.340 2.940 10 10 EFCERN CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071889011 472602470 /nfs/dbraw/zinc/60/24/70/472602470.db2.gz BRTVQXZYYNYFMQ-VQFGERMISA-N 0 0 344.455 2.564 10 10 EFCERN COc1ccc2c(c1)CCN2C(=O)c1cn(C)nc1-c1cccnc1 ZINC000058905173 472611731 /nfs/dbraw/zinc/61/17/31/472611731.db2.gz FYFPVIWYRGXKMZ-UHFFFAOYSA-N 0 0 334.379 2.694 10 10 EFCERN Oc1ccc(Nc2ncnc3sccc32)cc1CN1CCOCC1 ZINC000071920559 472622283 /nfs/dbraw/zinc/62/22/83/472622283.db2.gz IXTCXWJNPWZCSH-UHFFFAOYSA-N 0 0 342.424 2.973 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000046943339 472626520 /nfs/dbraw/zinc/62/65/20/472626520.db2.gz ANZBWQBRKYFUSU-UHFFFAOYSA-N 0 0 340.427 2.598 10 10 EFCERN Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)c(C)n1-c1ccccn1 ZINC000155864769 472629326 /nfs/dbraw/zinc/62/93/26/472629326.db2.gz VEEWBMJVXSYUAB-NVXWUHKLSA-N 0 0 327.428 2.770 10 10 EFCERN Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198187 472648068 /nfs/dbraw/zinc/64/80/68/472648068.db2.gz APIHDQNROAKPDW-QGZVFWFLSA-N 0 0 326.444 2.900 10 10 EFCERN COc1ccc(N(C)C[C@@H](O)COCc2ccccc2)c(OC)c1 ZINC000132261351 472724162 /nfs/dbraw/zinc/72/41/62/472724162.db2.gz AZRKFTOXANBSIO-MRXNPFEDSA-N 0 0 331.412 2.718 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000133164123 472779550 /nfs/dbraw/zinc/77/95/50/472779550.db2.gz TZESPWMHVCDVAU-JDQXGDOCSA-N 0 0 334.372 2.521 10 10 EFCERN CCCN(CCC)c1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157639444 472841906 /nfs/dbraw/zinc/84/19/06/472841906.db2.gz YJUTYHRDYFUBDO-SFHVURJKSA-N 0 0 338.517 2.932 10 10 EFCERN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3O)O2)cc1 ZINC000064567313 472863340 /nfs/dbraw/zinc/86/33/40/472863340.db2.gz ZDIBELJEQHHDDM-GOSISDBHSA-N 0 0 342.351 2.649 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134129389 472877120 /nfs/dbraw/zinc/87/71/20/472877120.db2.gz OOVOSTYUSYUAFH-CYBMUJFWSA-N 0 0 331.243 2.606 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCN1CCCC1=O ZINC000121677914 472890570 /nfs/dbraw/zinc/89/05/70/472890570.db2.gz WBUIHPFEKNENAR-UHFFFAOYSA-N 0 0 345.468 2.898 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cn3ncc4ccccc43)ccc21 ZINC000107135552 472929340 /nfs/dbraw/zinc/92/93/40/472929340.db2.gz PYDHXTIBQJIHID-UHFFFAOYSA-N 0 0 334.423 2.735 10 10 EFCERN COc1cccc([C@@H]2CN(Cc3cccc(OC)c3O)CCO2)c1 ZINC000093080113 473039344 /nfs/dbraw/zinc/03/93/44/473039344.db2.gz ZWUIOPJSBXTOFE-SFHVURJKSA-N 0 0 329.396 2.983 10 10 EFCERN C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000093644116 473127490 /nfs/dbraw/zinc/12/74/90/473127490.db2.gz AWPAHHQMUUPKNL-GXFFZTMASA-N 0 0 327.812 2.868 10 10 EFCERN O=C(Cn1ncc2ccccc21)NCc1c(O)ccc2c1CCCC2 ZINC000075159870 473143211 /nfs/dbraw/zinc/14/32/11/473143211.db2.gz JRPQKBUAVWEUPB-UHFFFAOYSA-N 0 0 335.407 2.937 10 10 EFCERN CN(Cc1cn(C(C)(C)C)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000191193194 473503077 /nfs/dbraw/zinc/50/30/77/473503077.db2.gz RMQNWXBWSMFITH-UHFFFAOYSA-N 0 0 343.475 2.502 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000185762126 473507575 /nfs/dbraw/zinc/50/75/75/473507575.db2.gz PFRGIDNUPNKZSD-WMLDXEAASA-N 0 0 327.380 2.826 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000185762167 473507757 /nfs/dbraw/zinc/50/77/57/473507757.db2.gz PFRGIDNUPNKZSD-RHSMWYFYSA-N 0 0 327.380 2.826 10 10 EFCERN CC(C)[C@H](C)O[C@@H]1CC(=O)Cc2c(O)c3c(O)ccc(O)c3c(O)c21 ZINC000169616699 473547966 /nfs/dbraw/zinc/54/79/66/473547966.db2.gz TXZSCURPFKHICE-YZENIEGJSA-N 0 0 346.379 2.502 10 10 EFCERN Cc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)n1-c1ccccn1 ZINC000116230273 473640420 /nfs/dbraw/zinc/64/04/20/473640420.db2.gz LFMNRVGZMLMBOQ-MRXNPFEDSA-N 0 0 349.438 2.852 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000116289950 473646764 /nfs/dbraw/zinc/64/67/64/473646764.db2.gz KIBAMNVVMWAUSW-KRWDZBQOSA-N 0 0 327.428 2.799 10 10 EFCERN Cc1cc(Br)cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000179667158 473705433 /nfs/dbraw/zinc/70/54/33/473705433.db2.gz ABISZAJQFAEPIY-PBWFPOADSA-N 0 0 326.234 2.951 10 10 EFCERN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccnc2c1CC(=O)N2 ZINC000613611334 480056767 /nfs/dbraw/zinc/05/67/67/480056767.db2.gz AFQKKRBSBJSONQ-UHFFFAOYSA-N 0 0 348.406 2.514 10 10 EFCERN COC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024593 473728255 /nfs/dbraw/zinc/72/82/55/473728255.db2.gz BMXZBRYWISXZIN-LBPRGKRZSA-N 0 0 342.386 2.798 10 10 EFCERN CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287891993 473790623 /nfs/dbraw/zinc/79/06/23/473790623.db2.gz ZAKKVTQBBRVYBZ-BXUZGUMPSA-N 0 0 325.840 2.890 10 10 EFCERN Cc1nnc([C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)[nH]1 ZINC000180105663 473800067 /nfs/dbraw/zinc/80/00/67/473800067.db2.gz YDAFBWDZQJJXJF-SFHVURJKSA-N 0 0 341.459 2.677 10 10 EFCERN CCn1cc(CN2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000180112202 473801801 /nfs/dbraw/zinc/80/18/01/473801801.db2.gz BQVFNFMKNHNLTQ-UHFFFAOYSA-N 0 0 348.878 2.970 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000274407840 473810239 /nfs/dbraw/zinc/81/02/39/473810239.db2.gz LQUCTAKVZHPLDI-LBPRGKRZSA-N 0 0 335.400 2.600 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269466527 473820517 /nfs/dbraw/zinc/82/05/17/473820517.db2.gz IEKPNMYISLEALZ-CQSZACIVSA-N 0 0 336.457 2.636 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000187205073 473837122 /nfs/dbraw/zinc/83/71/22/473837122.db2.gz AGCUPQNMAZBRLB-UHFFFAOYSA-N 0 0 348.834 2.602 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CC1CC1 ZINC000269801457 473885493 /nfs/dbraw/zinc/88/54/93/473885493.db2.gz LHBSBUXUSHGCKA-UHFFFAOYSA-N 0 0 348.262 2.716 10 10 EFCERN CN(C)c1ccc(CN(C(=O)CCc2ccnn2C)C2CC2)cc1 ZINC000274633596 473904838 /nfs/dbraw/zinc/90/48/38/473904838.db2.gz ZCIGTSJSYXRQIM-UHFFFAOYSA-N 0 0 326.444 2.610 10 10 EFCERN CN(c1ccc(CNC(=O)N2CC(CO)C2)cc1)C1CCCCC1 ZINC000187835834 473929800 /nfs/dbraw/zinc/92/98/00/473929800.db2.gz YKDHXIZZXGWOMY-UHFFFAOYSA-N 0 0 331.460 2.589 10 10 EFCERN COC[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000180656988 473931750 /nfs/dbraw/zinc/93/17/50/473931750.db2.gz PQKWKRWHEDIZRM-HZPDHXFCSA-N 0 0 348.468 2.829 10 10 EFCERN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000274775991 473953432 /nfs/dbraw/zinc/95/34/32/473953432.db2.gz JEBWKDNEVYOACF-CYBMUJFWSA-N 0 0 331.391 2.614 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000180783373 473962779 /nfs/dbraw/zinc/96/27/79/473962779.db2.gz RGFMGEMMZGYLTE-DIECRNLCSA-N 0 0 330.409 2.974 10 10 EFCERN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccc(OC)cc2)c1 ZINC000275095910 474066783 /nfs/dbraw/zinc/06/67/83/474066783.db2.gz ASPJTXAOJBXVHB-GOSISDBHSA-N 0 0 345.395 2.803 10 10 EFCERN Cc1noc([C@H]2COCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000188480003 474106897 /nfs/dbraw/zinc/10/68/97/474106897.db2.gz BEPNYKWSIZNNBA-GOSISDBHSA-N 0 0 342.443 2.942 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cn[nH]c2)cc1F ZINC000270455022 474126921 /nfs/dbraw/zinc/12/69/21/474126921.db2.gz SOTNJLLKZAYWJK-GFCCVEGCSA-N 0 0 333.411 2.955 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)NCCCN1CCCC1=O ZINC000282629664 474136092 /nfs/dbraw/zinc/13/60/92/474136092.db2.gz OWFJODGMYGHBLG-UHFFFAOYSA-N 0 0 347.459 2.716 10 10 EFCERN Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(O)c1O ZINC000182972787 474298959 /nfs/dbraw/zinc/29/89/59/474298959.db2.gz OQWCZFGJEPHZAF-IAQYHMDHSA-N 0 0 349.333 2.633 10 10 EFCERN Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(O)c1O ZINC000182972826 474299137 /nfs/dbraw/zinc/29/91/37/474299137.db2.gz OQWCZFGJEPHZAF-ABAIWWIYSA-N 0 0 349.333 2.633 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000275798724 474322527 /nfs/dbraw/zinc/32/25/27/474322527.db2.gz CWFXVJWSRAISQS-SZNKJTEWSA-N 0 0 334.372 2.642 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271144112 474403218 /nfs/dbraw/zinc/40/32/18/474403218.db2.gz GQXGXFRSYWJIMD-XOWYPZSQSA-N 0 0 348.399 2.912 10 10 EFCERN Cc1cc(CO)oc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283560949 474436023 /nfs/dbraw/zinc/43/60/23/474436023.db2.gz VRNKUOGHQXBBQO-HNNXBMFYSA-N 0 0 345.395 2.607 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000248818525 474444819 /nfs/dbraw/zinc/44/48/19/474444819.db2.gz VUUROBRIGAZLED-LPHOPBHVSA-N 0 0 327.472 2.728 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000289998095 474520796 /nfs/dbraw/zinc/52/07/96/474520796.db2.gz CTNVDTYGZCRZBM-XHDPSFHLSA-N 0 0 332.356 2.521 10 10 EFCERN COC(=O)[C@H](CC(F)(F)F)NCc1cc(Cl)cc(C)c1O ZINC000276387834 474522559 /nfs/dbraw/zinc/52/25/59/474522559.db2.gz BORMWQAPZZJLIP-JTQLQIEISA-N 0 0 325.714 2.938 10 10 EFCERN [O-]c1c(F)cccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000290155175 474560771 /nfs/dbraw/zinc/56/07/71/474560771.db2.gz LKOVVSKKFKQKOO-UHFFFAOYSA-N 0 0 328.185 2.670 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000277014386 474576246 /nfs/dbraw/zinc/57/62/46/474576246.db2.gz YSVIDZCYUKLCIK-UHFFFAOYSA-N 0 0 332.787 2.907 10 10 EFCERN COCCC1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000291173384 474596066 /nfs/dbraw/zinc/59/60/66/474596066.db2.gz JDNGOQPDZLENAF-UHFFFAOYSA-N 0 0 327.428 2.988 10 10 EFCERN C[C@@H]1COCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277860186 474597707 /nfs/dbraw/zinc/59/77/07/474597707.db2.gz ZGQMKRGSNVOJAK-RDTXWAMCSA-N 0 0 331.460 2.852 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(c3ccnc(C)n3)CC2)c1O ZINC000184764052 474602997 /nfs/dbraw/zinc/60/29/97/474602997.db2.gz BSWXTFARTKXPHZ-UHFFFAOYSA-N 0 0 332.835 2.775 10 10 EFCERN CC[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278318927 474607606 /nfs/dbraw/zinc/60/76/06/474607606.db2.gz XUPQRAZTRSAHLR-UHFFFAOYSA-N 0 0 337.401 2.830 10 10 EFCERN COc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1OC ZINC000272769970 474625243 /nfs/dbraw/zinc/62/52/43/474625243.db2.gz MRHLDRGHNMEPHL-GFCCVEGCSA-N 0 0 345.395 2.784 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1(CCF)CC1 ZINC000291721774 474657380 /nfs/dbraw/zinc/65/73/80/474657380.db2.gz RBOPFTGWCGDKFZ-UHFFFAOYSA-N 0 0 343.782 2.687 10 10 EFCERN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000284691265 474724924 /nfs/dbraw/zinc/72/49/24/474724924.db2.gz HXUSISWAAAGZAC-HNNXBMFYSA-N 0 0 336.407 2.615 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2ccc3nnn(C)c3c2)C2CC2)cc1 ZINC000273271033 474814961 /nfs/dbraw/zinc/81/49/61/474814961.db2.gz HRNDEXKCQHDUSR-UHFFFAOYSA-N 0 0 349.438 2.839 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1C(C)C ZINC000292056889 474823129 /nfs/dbraw/zinc/82/31/29/474823129.db2.gz TYXGOUFFWQMLOL-UHFFFAOYSA-N 0 0 327.432 2.698 10 10 EFCERN CN(C)c1ccc(CN(C)Cc2c(Br)cnn2C)cc1 ZINC000279633420 474983609 /nfs/dbraw/zinc/98/36/09/474983609.db2.gz ZLNLCYZAJIPVKA-UHFFFAOYSA-N 0 0 337.265 2.881 10 10 EFCERN COc1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000285614578 475032897 /nfs/dbraw/zinc/03/28/97/475032897.db2.gz YGUYTCNJUPTSOC-UHFFFAOYSA-N 0 0 347.802 2.849 10 10 EFCERN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293573887 475039954 /nfs/dbraw/zinc/03/99/54/475039954.db2.gz JEQLQVUWIAVJDX-ZYHUDNBSSA-N 0 0 328.815 2.921 10 10 EFCERN COc1ccc(CCCNC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC000294972534 475095788 /nfs/dbraw/zinc/09/57/88/475095788.db2.gz XNPNYNKCVVUFCL-UHFFFAOYSA-N 0 0 349.358 2.617 10 10 EFCERN CCOC(=O)c1csc(CSc2ncc(C(=O)OC)s2)n1 ZINC000295298187 475118593 /nfs/dbraw/zinc/11/85/93/475118593.db2.gz MBWXMUSSGGBAOO-UHFFFAOYSA-N 0 0 344.439 2.855 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296029284 475171558 /nfs/dbraw/zinc/17/15/58/475171558.db2.gz OXKMRVUQWUHWJW-DYLGSBMWSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CCN(c3ccc4c(n3)CCCC4=O)CC2)cc1 ZINC000296240633 475235975 /nfs/dbraw/zinc/23/59/75/475235975.db2.gz FFPNVJFTRBZIKL-UHFFFAOYSA-N 0 0 337.423 2.936 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(=O)c1ccc(F)cc1 ZINC000347586994 475326143 /nfs/dbraw/zinc/32/61/43/475326143.db2.gz LXEJSGHGYIXTJZ-UHFFFAOYSA-N 0 0 328.343 2.500 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301293991 476161302 /nfs/dbraw/zinc/16/13/02/476161302.db2.gz XOJULYBAGMGENN-JDQXGDOCSA-N 0 0 334.372 2.785 10 10 EFCERN COc1ccccc1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301588247 476170476 /nfs/dbraw/zinc/17/04/76/476170476.db2.gz BYNVCQCPQDYCGA-UHFFFAOYSA-N 0 0 343.339 2.571 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000373580233 476415468 /nfs/dbraw/zinc/41/54/68/476415468.db2.gz BVAVBGCADCMKDM-QWHCGFSZSA-N 0 0 327.808 2.588 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373587214 476416478 /nfs/dbraw/zinc/41/64/78/476416478.db2.gz WFLMQHTULHOZPY-UONOGXRCSA-N 0 0 327.808 2.588 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c(O)c1O ZINC000374727032 476505156 /nfs/dbraw/zinc/50/51/56/476505156.db2.gz QTJWLHJCTZRUFU-BLLLJJGKSA-N 0 0 327.380 2.870 10 10 EFCERN Cc1nc([C@@H]2CCCCCN2C(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000374829048 476546924 /nfs/dbraw/zinc/54/69/24/476546924.db2.gz RUKPXZMLKLEKOB-KGXGESDWSA-N 0 0 343.383 2.946 10 10 EFCERN CNC(=O)c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000361152062 476640359 /nfs/dbraw/zinc/64/03/59/476640359.db2.gz XAMLNIKNYXDKPJ-UHFFFAOYSA-N 0 0 333.395 2.611 10 10 EFCERN COc1cc(O)c(CN2CCO[C@H](c3cccc(O)c3)C2)cc1OC ZINC000378443651 476709318 /nfs/dbraw/zinc/70/93/18/476709318.db2.gz NNCSOVWVNPVLHT-IBGZPJMESA-N 0 0 345.395 2.689 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000375262974 476745707 /nfs/dbraw/zinc/74/57/07/476745707.db2.gz YZEKZSMOGYFFIT-HNNXBMFYSA-N 0 0 335.835 2.969 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000375329145 476783435 /nfs/dbraw/zinc/78/34/35/476783435.db2.gz RGQATFCFCCJLKZ-GOSISDBHSA-N 0 0 331.460 2.853 10 10 EFCERN CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1 ZINC000366536118 477057486 /nfs/dbraw/zinc/05/74/86/477057486.db2.gz QPJFNKAPKYLARE-OAHLLOKOSA-N 0 0 341.473 2.580 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000371443191 477322820 /nfs/dbraw/zinc/32/28/20/477322820.db2.gz OIFHCXJJNIJDNA-QGZVFWFLSA-N 0 0 329.444 2.933 10 10 EFCERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(C)c(O)c2O)no1 ZINC000371676807 477438442 /nfs/dbraw/zinc/43/84/42/477438442.db2.gz PCXPSSUXEQCZKE-CYBMUJFWSA-N 0 0 331.372 2.855 10 10 EFCERN CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376673130 477454555 /nfs/dbraw/zinc/45/45/55/477454555.db2.gz PTKQJCWAWXDHBX-RHSMWYFYSA-N 0 0 341.835 2.824 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CCCOC3)cc1F ZINC000376736060 477481560 /nfs/dbraw/zinc/48/15/60/477481560.db2.gz UIAIPPCHXHNURU-UHFFFAOYSA-N 0 0 349.450 2.994 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2C1 ZINC000581727596 478429731 /nfs/dbraw/zinc/42/97/31/478429731.db2.gz HLQOFBDFXRRCIG-CYBMUJFWSA-N 0 0 340.427 2.571 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000528857298 478963332 /nfs/dbraw/zinc/96/33/32/478963332.db2.gz KTWBPEPOIRFGOX-INIZCTEOSA-N 0 0 349.333 2.857 10 10 EFCERN O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c(O)c3ccccc3c(O)c21 ZINC000584636737 479197343 /nfs/dbraw/zinc/19/73/43/479197343.db2.gz YQBHYIYFJCZGDX-UHFFFAOYSA-N 0 0 335.271 2.935 10 10 EFCERN Cc1cc(Cl)cc(CNC(c2nccn2C)c2nccn2C)c1O ZINC000529645126 479234266 /nfs/dbraw/zinc/23/42/66/479234266.db2.gz PVMRKOFDIOOXON-UHFFFAOYSA-N 0 0 345.834 2.700 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@H](C)CO)CCCC1 ZINC000651525482 481827971 /nfs/dbraw/zinc/82/79/71/481827971.db2.gz CXBBPDLZKAXZCR-ZIAGYGMSSA-N 0 0 344.455 2.662 10 10 EFCERN CCOc1ccc(N(CC)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000666206617 482223627 /nfs/dbraw/zinc/22/36/27/482223627.db2.gz OXRJYPNYQHVJHW-UHFFFAOYSA-N 0 0 325.368 2.642 10 10 EFCERN COC[C@@H]1CCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000650055604 482380443 /nfs/dbraw/zinc/38/04/43/482380443.db2.gz STRMFXLDPVRMDP-AWEZNQCLSA-N 0 0 342.439 2.776 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](C)c3cccnc3)CC2)cc1 ZINC000174159480 534003995 /nfs/dbraw/zinc/00/39/95/534003995.db2.gz IANSMMNDGKHUGC-MRXNPFEDSA-N 0 0 339.439 2.933 10 10 EFCERN COC(=O)CCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298690868 522993209 /nfs/dbraw/zinc/99/32/09/522993209.db2.gz YSMVDYQIECXXNZ-UHFFFAOYSA-N 0 0 343.427 2.952 10 10 EFCERN COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000299067133 523961203 /nfs/dbraw/zinc/96/12/03/523961203.db2.gz XYZJWNHOQFCTDW-INIZCTEOSA-N 0 0 326.396 2.729 10 10 EFCERN CN1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000253188922 536457921 /nfs/dbraw/zinc/45/79/21/536457921.db2.gz IGQWJCVHCYVTAM-GDBMZVCRSA-N 0 0 348.349 2.551 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@H](CO)C1 ZINC000298478844 526680396 /nfs/dbraw/zinc/68/03/96/526680396.db2.gz ZSMIXJLQOWOUKK-DLBZAZTESA-N 0 0 331.460 2.637 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000158556052 528147440 /nfs/dbraw/zinc/14/74/40/528147440.db2.gz CCTXUXPWLWUSHJ-ZDUSSCGKSA-N 0 0 330.432 2.977 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCOC3)cc2)CC1 ZINC000171764605 528267425 /nfs/dbraw/zinc/26/74/25/528267425.db2.gz ODTXPFXMDFAKMG-QGZVFWFLSA-N 0 0 331.460 2.901 10 10 EFCERN CCCOc1ccc(CNc2cccnc2-n2cncn2)c(O)c1 ZINC000161938134 528691550 /nfs/dbraw/zinc/69/15/50/528691550.db2.gz UXTRDFSDSHCVME-UHFFFAOYSA-N 0 0 325.372 2.769 10 10 EFCERN CCOc1cccc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000324386477 535462214 /nfs/dbraw/zinc/46/22/14/535462214.db2.gz OUAJOVIEGZXFQE-ZDUSSCGKSA-N 0 0 330.432 2.960 10 10 EFCERN COc1ccc(N2CCN(C(=O)CSC(F)(F)F)CC2)cc1 ZINC000298395941 536681951 /nfs/dbraw/zinc/68/19/51/536681951.db2.gz DQRVVYSXMGDGBC-UHFFFAOYSA-N 0 0 334.363 2.597 10 10 EFCERN COc1ccc(N2CCN(c3nccnc3OC(C)C)CC2)cc1 ZINC000302242146 536703613 /nfs/dbraw/zinc/70/36/13/536703613.db2.gz YKINZDXGWASTOW-UHFFFAOYSA-N 0 0 328.416 2.599 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccc(C)nc3)CC2)cc1 ZINC000754009076 575374973 /nfs/dbraw/zinc/37/49/73/575374973.db2.gz HTFRHQKQAGCEDZ-YHYXMXQVSA-N 0 0 337.423 2.761 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cc(C)nc(C)n3)CC2)cc1 ZINC000754221371 575407585 /nfs/dbraw/zinc/40/75/85/575407585.db2.gz DCYCILVODUVCRN-UHFFFAOYSA-N 0 0 340.427 2.501 10 10 EFCERN Cc1cc(C(=O)NC2(CC(N)=O)CCC2)c(C)n1-c1ccccc1C ZINC000754414022 575433460 /nfs/dbraw/zinc/43/34/60/575433460.db2.gz AQVNBPAKRVOOKB-UHFFFAOYSA-N 0 0 339.439 2.930 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3csc(C=O)c3)CC2)cc1 ZINC000754973429 575522369 /nfs/dbraw/zinc/52/23/69/575522369.db2.gz HDQLQEYGNODMQH-UHFFFAOYSA-N 0 0 330.409 2.532 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)nc(C)n1 ZINC000755066018 575536587 /nfs/dbraw/zinc/53/65/87/575536587.db2.gz DWMBRXPGRUBAJP-UHFFFAOYSA-N 0 0 342.468 2.577 10 10 EFCERN Cn1nnc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc21 ZINC000755187338 575558561 /nfs/dbraw/zinc/55/85/61/575558561.db2.gz AKNCQSBULWNSLI-UHFFFAOYSA-N 0 0 349.438 2.889 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2cnn3ccccc23)c2ccccc21 ZINC000755411787 575584127 /nfs/dbraw/zinc/58/41/27/575584127.db2.gz UHEGBHWULVZMTQ-WJDWOHSUSA-N 0 0 347.374 2.785 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2cnn(C(C)C)c2)c2ccccc21 ZINC000755410183 575584195 /nfs/dbraw/zinc/58/41/95/575584195.db2.gz KXELWYOFGXJKTK-CXUHLZMHSA-N 0 0 339.395 2.914 10 10 EFCERN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000756337619 575719837 /nfs/dbraw/zinc/71/98/37/575719837.db2.gz HZPBAAJJUUGFJV-SFHVURJKSA-N 0 0 344.386 2.578 10 10 EFCERN C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756533547 575756219 /nfs/dbraw/zinc/75/62/19/575756219.db2.gz JBDPSDCIJYNDQZ-LLVKDONJSA-N 0 0 339.392 2.866 10 10 EFCERN CC[S@](=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573352 575764409 /nfs/dbraw/zinc/76/44/09/575764409.db2.gz AMZZVTSMXJOGRT-CVJBHZAOSA-N 0 0 338.242 2.713 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756592630 575766256 /nfs/dbraw/zinc/76/62/56/575766256.db2.gz JQDPDGDELCURRL-DTWKUNHWSA-N 0 0 345.212 2.565 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000756770277 575785412 /nfs/dbraw/zinc/78/54/12/575785412.db2.gz VVFWZZXINSJCKY-GFCCVEGCSA-N 0 0 341.411 2.740 10 10 EFCERN C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(F)cc1O ZINC000756866247 575794574 /nfs/dbraw/zinc/79/45/74/575794574.db2.gz YFENYECWSVSAJT-LBPRGKRZSA-N 0 0 346.406 2.960 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CC(C)(C)c3ccccc32)c1 ZINC000757770370 575852481 /nfs/dbraw/zinc/85/24/81/575852481.db2.gz CUAUTKZTAFUBIY-CMDGGOBGSA-N 0 0 335.407 2.779 10 10 EFCERN Cc1ccc(C(=O)OCc2csc(N(C)C3CC3)n2)c(O)c1O ZINC000758420587 575869339 /nfs/dbraw/zinc/86/93/39/575869339.db2.gz BBSBAYYZRJYWRG-UHFFFAOYSA-N 0 0 334.397 2.818 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC12CCCC2 ZINC000758456700 575870153 /nfs/dbraw/zinc/87/01/53/575870153.db2.gz DTNFKBPUOYGGOO-KRWDZBQOSA-N 0 0 329.444 2.655 10 10 EFCERN c1cc(NCc2ccc(N3CCCC3)cc2)nc(N2CCOCC2)n1 ZINC000758846930 575878566 /nfs/dbraw/zinc/87/85/66/575878566.db2.gz URKJCNZWDUNSQQ-UHFFFAOYSA-N 0 0 339.443 2.526 10 10 EFCERN Cc1ccc(C(=O)OCc2noc(-c3ccccc3)n2)c(O)c1O ZINC000759508476 575893555 /nfs/dbraw/zinc/89/35/55/575893555.db2.gz BKPYCRNLBJBWAD-UHFFFAOYSA-N 0 0 326.308 2.813 10 10 EFCERN COC(=O)c1cc(F)ccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759577815 575903921 /nfs/dbraw/zinc/90/39/21/575903921.db2.gz DFJNSTBUFVKEPE-CLTKARDFSA-N 0 0 346.310 2.780 10 10 EFCERN COC(=O)c1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)c(C)o1 ZINC000759593875 575905961 /nfs/dbraw/zinc/90/59/61/575905961.db2.gz JXJRBJBZLFNLDC-GQCTYLIASA-N 0 0 332.308 2.542 10 10 EFCERN CC[C@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760968629 576095810 /nfs/dbraw/zinc/09/58/10/576095810.db2.gz HMZVFCYOQULVNG-QGZVFWFLSA-N 0 0 325.412 2.967 10 10 EFCERN O=C1CN(C2CCC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000761099888 576113401 /nfs/dbraw/zinc/11/34/01/576113401.db2.gz OHHRXZCDXFADAA-UHFFFAOYSA-N 0 0 345.468 2.557 10 10 EFCERN CC=CC[C@@H]1NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761224135 576132196 /nfs/dbraw/zinc/13/21/96/576132196.db2.gz UEOLKWQZSTYSHI-LIMHQNJXSA-N 0 0 343.427 2.551 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)N(C)C)CC2(C)C)c1O ZINC000761226357 576132810 /nfs/dbraw/zinc/13/28/10/576132810.db2.gz PTIYEEZAYUUVBO-UHFFFAOYSA-N 0 0 339.867 2.932 10 10 EFCERN CC(C)C[C@H]1C(=O)N(CCCSc2nccs2)C(=O)N1C ZINC000761298307 576142453 /nfs/dbraw/zinc/14/24/53/576142453.db2.gz MLGDEXYZTJDXTG-NSHDSACASA-N 0 0 327.475 2.934 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1CCCSc1nccs1 ZINC000761303389 576143623 /nfs/dbraw/zinc/14/36/23/576143623.db2.gz ZZSOITBVNQRECE-TUAOUCFPSA-N 0 0 337.470 2.688 10 10 EFCERN CCc1nc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cs1 ZINC000761888397 576225502 /nfs/dbraw/zinc/22/55/02/576225502.db2.gz VUWAWIWCUDSAQO-UHFFFAOYSA-N 0 0 348.384 2.581 10 10 EFCERN COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1F ZINC000763280135 576370845 /nfs/dbraw/zinc/37/08/45/576370845.db2.gz JRUJKGSJCPFDJJ-UHFFFAOYSA-N 0 0 330.359 2.923 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763488690 576379050 /nfs/dbraw/zinc/37/90/50/576379050.db2.gz CYURBNHKYKFROO-WLRWDXFRSA-N 0 0 346.290 2.806 10 10 EFCERN Cc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(=O)[nH]c1C ZINC000764020012 576422349 /nfs/dbraw/zinc/42/23/49/576422349.db2.gz SRKIRSHCUWXRSQ-UHFFFAOYSA-N 0 0 340.427 2.719 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(CO)c2)c1 ZINC000764157005 576437243 /nfs/dbraw/zinc/43/72/43/576437243.db2.gz IYBOCZDGLDCHTH-OLZOCXBDSA-N 0 0 345.395 2.538 10 10 EFCERN COCc1cncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000765589244 577057233 /nfs/dbraw/zinc/05/72/33/577057233.db2.gz KZIUMKCQVTXKBH-UHFFFAOYSA-N 0 0 326.396 2.742 10 10 EFCERN Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000765912023 577086249 /nfs/dbraw/zinc/08/62/49/577086249.db2.gz XOYYVYHOHRWUEK-UHFFFAOYSA-N 0 0 326.375 2.897 10 10 EFCERN CCN(CC)c1ccc(CN(C)Cc2nnnn2C(C)(C)C)cc1 ZINC000766106661 577109299 /nfs/dbraw/zinc/10/92/99/577109299.db2.gz JCTMYJXPDUYJLX-UHFFFAOYSA-N 0 0 330.480 2.906 10 10 EFCERN CC(C)(C)n1nnnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000766809767 577183314 /nfs/dbraw/zinc/18/33/14/577183314.db2.gz HPQZNVVJOQAWLI-UHFFFAOYSA-N 0 0 337.374 2.982 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000768365370 577268770 /nfs/dbraw/zinc/26/87/70/577268770.db2.gz VFWLZCIRPVRGOZ-ZWKOTPCHSA-N 0 0 347.503 3.000 10 10 EFCERN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000768453499 577275231 /nfs/dbraw/zinc/27/52/31/577275231.db2.gz MPBUUQULCCYAKZ-IBGZPJMESA-N 0 0 330.428 2.530 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1OCC[C@H]2O ZINC000768480069 577277435 /nfs/dbraw/zinc/27/74/35/577277435.db2.gz RNIYUCIWBCGPHN-BRLPQQTGSA-N 0 0 327.336 2.566 10 10 EFCERN CCOC(=O)[C@H]1CCCN1Cc1cc(C)cc(Br)c1O ZINC000768537856 577281760 /nfs/dbraw/zinc/28/17/60/577281760.db2.gz XPDQXFVKNLGZDL-CYBMUJFWSA-N 0 0 342.233 2.991 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC2CCC1CC2 ZINC000769042526 577327020 /nfs/dbraw/zinc/32/70/20/577327020.db2.gz VVIBVFNFALHJBY-GXOAENINSA-N 0 0 343.471 2.901 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C(F)(F)F)CC1 ZINC000726157600 577353686 /nfs/dbraw/zinc/35/36/86/577353686.db2.gz NQFHPSZVJLYVIJ-UHFFFAOYSA-N 0 0 342.361 2.824 10 10 EFCERN CCOc1ccc(CN2CC[S@](=O)C(CC)(CC)C2)c(O)c1 ZINC000769554897 577372168 /nfs/dbraw/zinc/37/21/68/577372168.db2.gz BTWWDOYVUOBIOH-QFIPXVFZSA-N 0 0 325.474 2.914 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1 ZINC000726796776 577386888 /nfs/dbraw/zinc/38/68/88/577386888.db2.gz DNFUQPOSOAMBRE-QGZVFWFLSA-N 0 0 338.363 2.908 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2nsnc2c1 ZINC000770485673 577421041 /nfs/dbraw/zinc/42/10/41/577421041.db2.gz HQDKXZDIBAMNAR-UHFFFAOYSA-N 0 0 340.408 2.780 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(C)c1C1CC1 ZINC000771211902 581188253 /nfs/dbraw/zinc/18/82/53/581188253.db2.gz VAPALKKMMDRMOT-UHFFFAOYSA-N 0 0 341.415 2.794 10 10 EFCERN CN(C)c1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000771306665 581197267 /nfs/dbraw/zinc/19/72/67/581197267.db2.gz DGOAZMLRYMNPJJ-UHFFFAOYSA-N 0 0 342.321 2.987 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@@H](CO)c1ccsc1 ZINC000771336138 581199874 /nfs/dbraw/zinc/19/98/74/581199874.db2.gz GWBGDAHRQJOMSA-NSHDSACASA-N 0 0 343.499 2.720 10 10 EFCERN C[S@](=O)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000771339815 581200620 /nfs/dbraw/zinc/20/06/20/581200620.db2.gz AEFMRCICGLQVCT-NRFANRHFSA-N 0 0 340.495 2.793 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc([S@](C)=O)c2)c1 ZINC000771416013 581209824 /nfs/dbraw/zinc/20/98/24/581209824.db2.gz BLKJKZDQYIADNJ-RULNZOCKSA-N 0 0 333.409 2.629 10 10 EFCERN NC(=O)c1c[nH]c(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c1 ZINC000771723335 581236053 /nfs/dbraw/zinc/23/60/53/581236053.db2.gz JTQYPOZVMBVXJI-UHFFFAOYSA-N 0 0 337.314 2.760 10 10 EFCERN COCCN(CC(C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000772899815 581379610 /nfs/dbraw/zinc/37/96/10/581379610.db2.gz ZRHGNGMMZWMYQI-SOFGYWHQSA-N 0 0 336.388 2.890 10 10 EFCERN COc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1C ZINC000772954035 581383111 /nfs/dbraw/zinc/38/31/11/581383111.db2.gz NAAGJLZTDNDFGY-UHFFFAOYSA-N 0 0 342.395 2.615 10 10 EFCERN C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000772995404 581386362 /nfs/dbraw/zinc/38/63/62/581386362.db2.gz BHYNTJYSJOANRI-HNNXBMFYSA-N 0 0 349.434 2.945 10 10 EFCERN C[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000773012564 581387665 /nfs/dbraw/zinc/38/76/65/581387665.db2.gz UZAUYSDXYLNJEP-ZDUSSCGKSA-N 0 0 338.411 2.685 10 10 EFCERN C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000773012666 581387749 /nfs/dbraw/zinc/38/77/49/581387749.db2.gz VOCMGLAPDFNNLE-CQSZACIVSA-N 0 0 335.411 2.824 10 10 EFCERN CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773019171 581388379 /nfs/dbraw/zinc/38/83/79/581388379.db2.gz PLCUHRVDMANJCS-LBPRGKRZSA-N 0 0 345.468 2.941 10 10 EFCERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020662 581388648 /nfs/dbraw/zinc/38/86/48/581388648.db2.gz QBCAUUFJHPXMIH-PBHICJAKSA-N 0 0 331.460 2.577 10 10 EFCERN CCOCCONC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000773511302 581438928 /nfs/dbraw/zinc/43/89/28/581438928.db2.gz GELOFTZVXJUVMN-UHFFFAOYSA-N 0 0 345.443 2.904 10 10 EFCERN COC(=O)CCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773623796 581451498 /nfs/dbraw/zinc/45/14/98/581451498.db2.gz XWVWTZPTCFKVFW-AWEZNQCLSA-N 0 0 335.448 2.846 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000773739186 581460081 /nfs/dbraw/zinc/46/00/81/581460081.db2.gz BTWPPFSVMRQMAL-SNVBAGLBSA-N 0 0 349.818 2.573 10 10 EFCERN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773740832 581460367 /nfs/dbraw/zinc/46/03/67/581460367.db2.gz UBJSJANMLCMGSE-QWHCGFSZSA-N 0 0 345.395 2.621 10 10 EFCERN Cc1cc(CCNC(=O)N(C)C[C@H](C)O)c(C)n1-c1ccccc1 ZINC000774151687 581485746 /nfs/dbraw/zinc/48/57/46/581485746.db2.gz AYUDTZMUSJWLQR-HNNXBMFYSA-N 0 0 329.444 2.659 10 10 EFCERN Cc1cccc(NC(=S)NCc2cccc(N3CCOCC3)n2)c1 ZINC000774258442 581488280 /nfs/dbraw/zinc/48/82/80/581488280.db2.gz POOYFHQYNJIONM-UHFFFAOYSA-N 0 0 342.468 2.713 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001709039119 1248817434 /nfs/dbraw/zinc/81/74/34/1248817434.db2.gz WJENRWYKHCFWHF-LSDHHAIUSA-N 0 0 344.459 2.998 10 10 EFCERN C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000850498789 1250509367 /nfs/dbraw/zinc/50/93/67/1250509367.db2.gz DEGKVVXBGZDQNQ-XEZPLFJOSA-N 0 0 345.422 2.610 10 10 EFCERN C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532038 1250526528 /nfs/dbraw/zinc/52/65/28/1250526528.db2.gz IVNJFJKLZHZZTI-FZQKWOKYSA-N 0 0 328.315 2.765 10 10 EFCERN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532039 1250526712 /nfs/dbraw/zinc/52/67/12/1250526712.db2.gz IVNJFJKLZHZZTI-FZZIBODNSA-N 0 0 328.315 2.765 10 10 EFCERN C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)cc(F)c1[O-] ZINC000850560327 1250538285 /nfs/dbraw/zinc/53/82/85/1250538285.db2.gz DIJDCXRXGNJBFS-YPMHNXCESA-N 0 0 339.386 2.611 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574580 1250543268 /nfs/dbraw/zinc/54/32/68/1250543268.db2.gz ZOAFWKQDYLBXPX-ZDUSSCGKSA-N 0 0 348.443 2.655 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850625590 1250558397 /nfs/dbraw/zinc/55/83/97/1250558397.db2.gz GNVYKSJKHHHWQY-YQQAZPJKSA-N 0 0 344.455 2.683 10 10 EFCERN Cc1c(C)n(C)c2ccc(OC(=O)CN3CCN(C4CC4)C3=O)cc12 ZINC000851093595 1250794381 /nfs/dbraw/zinc/79/43/81/1250794381.db2.gz QZXGCSVVTLNXRI-UHFFFAOYSA-N 0 0 341.411 2.601 10 10 EFCERN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000851643421 1251166719 /nfs/dbraw/zinc/16/67/19/1251166719.db2.gz XRJRUTVBLUOQNN-OAHLLOKOSA-N 0 0 344.415 2.551 10 10 EFCERN CC[C@H](C)C(=O)NC[C@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001746115318 1251560880 /nfs/dbraw/zinc/56/08/80/1251560880.db2.gz ZSNGKJHFTIYPOI-AAEUAGOBSA-N 0 0 347.419 2.520 10 10 EFCERN COc1cccc(CNC(=O)NCc2noc3cc(F)ccc23)c1O ZINC001687408069 1251626129 /nfs/dbraw/zinc/62/61/29/1251626129.db2.gz JDQIGAMSLWTOQX-UHFFFAOYSA-N 0 0 345.330 2.681 10 10 EFCERN O=S(=O)(C[C@H]1CCC1(F)F)NCc1cc(Cl)ccc1O ZINC000867463987 1256389788 /nfs/dbraw/zinc/38/97/88/1256389788.db2.gz VVSIVZMHHOYDOQ-SECBINFHSA-N 0 0 325.764 2.510 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000921526760 1257012467 /nfs/dbraw/zinc/01/24/67/1257012467.db2.gz JBQXPDWDWVKFCH-HBUWYVDXSA-N 0 0 326.371 2.916 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000842938441 1257066336 /nfs/dbraw/zinc/06/63/36/1257066336.db2.gz WPURXBLIAZOTMU-XPTSAGLGSA-N 0 0 325.792 2.791 10 10 EFCERN CN1CCCc2cc(CNCc3nc(Br)c[nH]3)ccc21 ZINC000921626186 1257840268 /nfs/dbraw/zinc/84/02/68/1257840268.db2.gz YXASHWLQIQFVLP-UHFFFAOYSA-N 0 0 335.249 2.844 10 10 EFCERN Fc1cc(CN[C@H](c2ncccn2)C2CC2)ccc1N1CCOCC1 ZINC000922578603 1266308335 /nfs/dbraw/zinc/30/83/35/1266308335.db2.gz BPIVALCMZNRPJS-SFHVURJKSA-N 0 0 342.418 2.693 10 10 EFCERN Cn1ncc(C2CCC2)c1CNC(=O)NCc1c(O)cccc1F ZINC000923316517 1261450832 /nfs/dbraw/zinc/45/08/32/1261450832.db2.gz VISUKODEQMFZQP-UHFFFAOYSA-N 0 0 332.379 2.532 10 10 EFCERN CN(CCOC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000791414103 1278096676 /nfs/dbraw/zinc/09/66/76/1278096676.db2.gz DLSWBWUJNVCEKE-SOFGYWHQSA-N 0 0 337.372 2.521 10 10 EFCERN C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)OCCc2ccccc21 ZINC000921836967 1262215312 /nfs/dbraw/zinc/21/53/12/1262215312.db2.gz LYDOMTZKOOOECY-JCOOBLOPSA-N 0 0 339.391 2.715 10 10 EFCERN COCCOc1ccccc1NCc1nc(Br)c[nH]1 ZINC000921882552 1263138843 /nfs/dbraw/zinc/13/88/43/1263138843.db2.gz FYTXSRIFBQNYJR-UHFFFAOYSA-N 0 0 326.194 2.810 10 10 EFCERN COc1ccc2c(c1)CC[C@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000921913598 1263374669 /nfs/dbraw/zinc/37/46/69/1263374669.db2.gz OPCOAMBVZZHREE-AWEZNQCLSA-N 0 0 344.386 2.897 10 10 EFCERN CN1CCC([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715735922 1263874843 /nfs/dbraw/zinc/87/48/43/1263874843.db2.gz DWLNGQJJZOIEAW-UHFFFAOYSA-N 0 0 331.229 2.820 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824653618 1278217323 /nfs/dbraw/zinc/21/73/23/1278217323.db2.gz CNOJZKOGMVYUQJ-MISXGVKJSA-N 0 0 329.799 2.547 10 10 EFCERN Cc1nc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)no1 ZINC000922051032 1264218631 /nfs/dbraw/zinc/21/86/31/1264218631.db2.gz IFUQZXHLFHEZIF-DOMZBBRYSA-N 0 0 343.431 2.704 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000922053918 1264226897 /nfs/dbraw/zinc/22/68/97/1264226897.db2.gz GLQHLDTUQWDDLB-WNOSKKOXSA-N 0 0 347.459 2.795 10 10 EFCERN COC(=O)C[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000922056354 1264231027 /nfs/dbraw/zinc/23/10/27/1264231027.db2.gz YVEQYYFAONHTRP-IJEWVQPXSA-N 0 0 347.459 2.654 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000715755133 1264531814 /nfs/dbraw/zinc/53/18/14/1264531814.db2.gz WSMSVMQSFXCRJA-CYBMUJFWSA-N 0 0 343.240 2.964 10 10 EFCERN COC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)o1 ZINC000824676346 1278242269 /nfs/dbraw/zinc/24/22/69/1278242269.db2.gz JFUNYMRSTIIIDZ-UHFFFAOYSA-N 0 0 342.395 2.687 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H]3C3CC3)C2)cc1 ZINC000824682390 1278243924 /nfs/dbraw/zinc/24/39/24/1278243924.db2.gz ZLLPAVCYUQOBPA-KBXCAEBGSA-N 0 0 329.444 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]3C3CC3)C2)cc1 ZINC000824682391 1278243246 /nfs/dbraw/zinc/24/32/46/1278243246.db2.gz ZLLPAVCYUQOBPA-KDOFPFPSSA-N 0 0 329.444 2.715 10 10 EFCERN Cc1cc(Cl)cc(CN2CC(=O)N(CCC(F)(F)F)C2)c1O ZINC000824709386 1278257985 /nfs/dbraw/zinc/25/79/85/1278257985.db2.gz PYEJHGOLJZYQPJ-UHFFFAOYSA-N 0 0 336.741 2.908 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922677927 1266582751 /nfs/dbraw/zinc/58/27/51/1266582751.db2.gz INHOJSUXGBJGEI-DGCLKSJQSA-N 0 0 334.294 2.890 10 10 EFCERN CCO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])CN(C)C ZINC000922758619 1266743177 /nfs/dbraw/zinc/74/31/77/1266743177.db2.gz YGMFIPGDVUHZLT-CYBMUJFWSA-N 0 0 345.281 2.519 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000734065286 1266848075 /nfs/dbraw/zinc/84/80/75/1266848075.db2.gz YPLKRAHTVRAMGK-NSHDSACASA-N 0 0 344.367 2.690 10 10 EFCERN COC(=O)c1cnc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)s1 ZINC000922832747 1266955523 /nfs/dbraw/zinc/95/55/23/1266955523.db2.gz CMYFDTNXTXWKQL-UHFFFAOYSA-N 0 0 344.795 2.760 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000734666108 1267068949 /nfs/dbraw/zinc/06/89/49/1267068949.db2.gz WGINHXPEOSOTSS-UHFFFAOYSA-N 0 0 345.418 2.692 10 10 EFCERN Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000825307289 1267069959 /nfs/dbraw/zinc/06/99/59/1267069959.db2.gz YWHFCSKVQDRQIR-QGZVFWFLSA-N 0 0 327.428 2.987 10 10 EFCERN OC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000734847918 1267130031 /nfs/dbraw/zinc/13/00/31/1267130031.db2.gz YKOQDGCKKYGCMI-GOSISDBHSA-N 0 0 348.393 2.625 10 10 EFCERN COc1ccc(N2CCN(CCNC(=O)/C=C/C(C)(C)C)CC2)cc1 ZINC000735038963 1267185575 /nfs/dbraw/zinc/18/55/75/1267185575.db2.gz GNEIKBLWYHMMSL-MDZDMXLPSA-N 0 0 345.487 2.536 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(F)ccn3)C2)cc1 ZINC000824855480 1278315456 /nfs/dbraw/zinc/31/54/56/1278315456.db2.gz LIGGXFNRQPNXET-CYBMUJFWSA-N 0 0 344.390 2.877 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(F)ccn3)C2)cc1 ZINC000824855469 1278316243 /nfs/dbraw/zinc/31/62/43/1278316243.db2.gz KXFDGOLLWWHXNR-ZDUSSCGKSA-N 0 0 330.363 2.630 10 10 EFCERN COc1cccc(N2CCC[C@@H](NC(=O)C3=CC(=O)CS3)C2)c1 ZINC000735327007 1267272539 /nfs/dbraw/zinc/27/25/39/1267272539.db2.gz UQEPSURCKJUFJZ-GFCCVEGCSA-N 0 0 332.425 2.861 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)(C)O ZINC000739001147 1268602631 /nfs/dbraw/zinc/60/26/31/1268602631.db2.gz AFKLCIGHELOJAR-OAHLLOKOSA-N 0 0 333.476 2.882 10 10 EFCERN CCc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000740463926 1268958761 /nfs/dbraw/zinc/95/87/61/1268958761.db2.gz VTDROZHLPGNAIG-ZDUSSCGKSA-N 0 0 344.415 2.956 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCOC2 ZINC000825234675 1278478653 /nfs/dbraw/zinc/47/86/53/1278478653.db2.gz VHFRXHUYSFTDPQ-LBPRGKRZSA-N 0 0 342.395 2.923 10 10 EFCERN C[C@]1(C(F)(F)F)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC000825387224 1278515247 /nfs/dbraw/zinc/51/52/47/1278515247.db2.gz MOHOGZFBDQTPOX-CYBMUJFWSA-N 0 0 344.293 2.642 10 10 EFCERN C[C@@H](NC(=O)NC(C)(C)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000792053266 1278519269 /nfs/dbraw/zinc/51/92/69/1278519269.db2.gz ZVAZUQZPZGDOFB-GFCCVEGCSA-N 0 0 341.402 2.927 10 10 EFCERN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cccnn1 ZINC000742393023 1270020255 /nfs/dbraw/zinc/02/02/55/1270020255.db2.gz CRLLAEJXUKLIDE-UHFFFAOYSA-N 0 0 338.333 2.944 10 10 EFCERN CCCC(=O)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742415866 1270040733 /nfs/dbraw/zinc/04/07/33/1270040733.db2.gz BBSNZZZXFVMLHZ-UHFFFAOYSA-N 0 0 345.487 2.988 10 10 EFCERN CCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(C)c2)SC1=S ZINC000742429112 1270060974 /nfs/dbraw/zinc/06/09/74/1270060974.db2.gz HWDVVQDEKGRIJK-QPEQYQDCSA-N 0 0 330.438 2.797 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H](OC)C3CCCC3)CC2)cc1 ZINC000825425739 1278547810 /nfs/dbraw/zinc/54/78/10/1278547810.db2.gz JBEHCSHEOKKFDN-LJQANCHMSA-N 0 0 346.471 2.985 10 10 EFCERN COCc1csc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000743223530 1270471624 /nfs/dbraw/zinc/47/16/24/1270471624.db2.gz VBYDWAAQTXMIMN-SECBINFHSA-N 0 0 337.401 2.886 10 10 EFCERN COCc1csc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000743223531 1270471866 /nfs/dbraw/zinc/47/18/66/1270471866.db2.gz VBYDWAAQTXMIMN-VIFPVBQESA-N 0 0 337.401 2.886 10 10 EFCERN CCOCCOCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743431140 1270573108 /nfs/dbraw/zinc/57/31/08/1270573108.db2.gz RUILEUVTYVORRX-UHFFFAOYSA-N 0 0 333.384 2.567 10 10 EFCERN Cc1ccc(N2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000825505082 1278573415 /nfs/dbraw/zinc/57/34/15/1278573415.db2.gz BINVYIMLFUHLGB-UHFFFAOYSA-N 0 0 344.386 2.898 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn(C3CCC3)nn2)cc1 ZINC000843531770 1278598779 /nfs/dbraw/zinc/59/87/79/1278598779.db2.gz GKAWOPSWEMQBHJ-UHFFFAOYSA-N 0 0 327.432 2.779 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000843851842 1278609038 /nfs/dbraw/zinc/60/90/38/1278609038.db2.gz QYILRJRSJUKDSI-STQMWFEESA-N 0 0 331.416 2.555 10 10 EFCERN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2cccc(O)c2)c1 ZINC000792181916 1278621206 /nfs/dbraw/zinc/62/12/06/1278621206.db2.gz WFCVTZNUKOUZNE-QGZVFWFLSA-N 0 0 331.368 2.500 10 10 EFCERN COc1ccc(O)c(CN2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000792190596 1278631236 /nfs/dbraw/zinc/63/12/36/1278631236.db2.gz XBTOKXJLOFZIGX-GOSISDBHSA-N 0 0 329.396 2.681 10 10 EFCERN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843936789 1278687181 /nfs/dbraw/zinc/68/71/81/1278687181.db2.gz UPGLQAXWLMBPQX-AAEUAGOBSA-N 0 0 335.400 2.538 10 10 EFCERN Cc1ccc(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000844045979 1278731073 /nfs/dbraw/zinc/73/10/73/1278731073.db2.gz ZJABJMWGNCHGKN-UHFFFAOYSA-N 0 0 349.427 2.990 10 10 EFCERN CSc1cnc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000804333918 1273091443 /nfs/dbraw/zinc/09/14/43/1273091443.db2.gz SKHWQHNEYBYSCY-UHFFFAOYSA-N 0 0 330.457 2.672 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000844125442 1278761989 /nfs/dbraw/zinc/76/19/89/1278761989.db2.gz CELNYIDFGUSNRH-JEELVDDXSA-N 0 0 347.411 2.738 10 10 EFCERN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C(=O)OC(C)(C)C ZINC000844148121 1278775228 /nfs/dbraw/zinc/77/52/28/1278775228.db2.gz WJWZAUVEGGJAPJ-CMPLNLGQSA-N 0 0 325.430 2.894 10 10 EFCERN C[NH+](C)[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210456 1278812883 /nfs/dbraw/zinc/81/28/83/1278812883.db2.gz YDVGZSZACCNNMZ-IZPAUZPXSA-N 0 0 333.388 2.613 10 10 EFCERN C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000844212395 1278815202 /nfs/dbraw/zinc/81/52/02/1278815202.db2.gz IJNPCCKOKGCTRT-LPZVBRGNSA-N 0 0 345.399 2.613 10 10 EFCERN CSc1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000786576056 1275448544 /nfs/dbraw/zinc/44/85/44/1275448544.db2.gz PEJTWAVFLYPARL-UHFFFAOYSA-N 0 0 348.447 2.911 10 10 EFCERN Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000746594900 1275460139 /nfs/dbraw/zinc/46/01/39/1275460139.db2.gz WQYILUQSYBNXBT-UHFFFAOYSA-N 0 0 328.412 2.674 10 10 EFCERN Fc1cc(CNc2cc3c(nn2)CCC3)ccc1N1CCOCC1 ZINC000746660412 1275704969 /nfs/dbraw/zinc/70/49/69/1275704969.db2.gz HUGWZVRAHLNWOS-UHFFFAOYSA-N 0 0 328.391 2.553 10 10 EFCERN COc1ccc(N(C)Cc2c(Br)cnn2C)cc1OC ZINC000787271994 1275740719 /nfs/dbraw/zinc/74/07/19/1275740719.db2.gz NCGYWGNMZHJZSZ-UHFFFAOYSA-N 0 0 340.221 2.836 10 10 EFCERN CCOCCOCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000787426451 1275772868 /nfs/dbraw/zinc/77/28/68/1275772868.db2.gz YRSKTXAYXWMBPA-UHFFFAOYSA-N 0 0 346.265 2.948 10 10 EFCERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000787405114 1275777479 /nfs/dbraw/zinc/77/74/79/1275777479.db2.gz DLTBMMUODHIEEC-XLMAVXFVSA-N 0 0 330.428 2.881 10 10 EFCERN O=C(NCc1cccc(Br)c1O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787405775 1275777771 /nfs/dbraw/zinc/77/77/71/1275777771.db2.gz IDAMLMGWIFKACZ-IAZYJMLFSA-N 0 0 325.206 2.752 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](OC)c2ccc(O)cc2)c1 ZINC000787445282 1275780669 /nfs/dbraw/zinc/78/06/69/1275780669.db2.gz KQWFVRHZKLYUKY-GTNSWQLSSA-N 0 0 331.368 2.671 10 10 EFCERN CC1(C)CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000787469189 1275791578 /nfs/dbraw/zinc/79/15/78/1275791578.db2.gz STOANYAWJYFQAT-WBVHZDCISA-N 0 0 333.428 2.857 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000788274770 1276123893 /nfs/dbraw/zinc/12/38/93/1276123893.db2.gz BIDQARMXWXVFCG-PXAZEXFGSA-N 0 0 330.403 2.871 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC[C@H](O)CC34CCC4)ccc21 ZINC000817775527 1276296463 /nfs/dbraw/zinc/29/64/63/1276296463.db2.gz ROGIAQKXQLTRKC-KRWDZBQOSA-N 0 0 343.471 2.658 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@H](O)CC12CCC2 ZINC000817776725 1276297106 /nfs/dbraw/zinc/29/71/06/1276297106.db2.gz MUBIOQMHJJXISZ-LBPRGKRZSA-N 0 0 341.502 2.714 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)C(C)(C)OC)C2)cc1 ZINC000922951478 1276393861 /nfs/dbraw/zinc/39/38/61/1276393861.db2.gz XJGHIMFPRKIUMN-LSDHHAIUSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)C(C)(C)OC)C2)cc1 ZINC000922951472 1276394016 /nfs/dbraw/zinc/39/40/16/1276394016.db2.gz XJGHIMFPRKIUMN-CABCVRRESA-N 0 0 349.475 2.634 10 10 EFCERN CCOCc1cc(CNCc2noc3c2COCC3)ccc1OC ZINC000923015795 1276531726 /nfs/dbraw/zinc/53/17/26/1276531726.db2.gz RKICNEZQXIHKDK-UHFFFAOYSA-N 0 0 332.400 2.582 10 10 EFCERN CC(C)n1ncnc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789300465 1276629334 /nfs/dbraw/zinc/62/93/34/1276629334.db2.gz NLLWEQFXHXBZAL-OAHLLOKOSA-N 0 0 329.448 2.546 10 10 EFCERN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000819126779 1276642187 /nfs/dbraw/zinc/64/21/87/1276642187.db2.gz RTYVEZUFLGKMNB-QWPQOLDESA-N 0 0 332.469 2.591 10 10 EFCERN CC[C@@H](c1nccs1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168139 1276649895 /nfs/dbraw/zinc/64/98/95/1276649895.db2.gz LSVSDICIFYSHAX-LBPRGKRZSA-N 0 0 331.397 2.764 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Nc2cn(C)nc2OC)cc1 ZINC000789317984 1276651368 /nfs/dbraw/zinc/65/13/68/1276651368.db2.gz DJYYZDPWDACACK-UHFFFAOYSA-N 0 0 345.447 2.939 10 10 EFCERN CC(C)[C@@H]1C[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 ZINC000819169627 1276652959 /nfs/dbraw/zinc/65/29/59/1276652959.db2.gz NMAOZXCTMJROOK-PBHICJAKSA-N 0 0 346.427 2.608 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cn(C)nc2OC)cc1 ZINC000789320802 1276655985 /nfs/dbraw/zinc/65/59/85/1276655985.db2.gz NGTGNCBRPDCSNK-UHFFFAOYSA-N 0 0 331.420 2.597 10 10 EFCERN CNC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001136213012 1276735996 /nfs/dbraw/zinc/73/59/96/1276735996.db2.gz VJWHOVYFYMNCKS-UHFFFAOYSA-N 0 0 339.355 2.769 10 10 EFCERN O=C(/C=C\[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000819419544 1276780679 /nfs/dbraw/zinc/78/06/79/1276780679.db2.gz HAPJDGUPFDMCMA-ZRNVIFCMSA-N 0 0 331.412 2.635 10 10 EFCERN O=C(/C=C/[C@@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000819530698 1276806573 /nfs/dbraw/zinc/80/65/73/1276806573.db2.gz IQQGIYKCUYSAFW-FUEXJSSKSA-N 0 0 326.190 2.506 10 10 EFCERN CCOC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)[C@H]1CCCOC1 ZINC000789581093 1276829298 /nfs/dbraw/zinc/82/92/98/1276829298.db2.gz OJPUMUZFCZUGCQ-SWLSCSKDSA-N 0 0 341.835 2.802 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[C@H]3OC)C2)cc1 ZINC000819591487 1276833525 /nfs/dbraw/zinc/83/35/25/1276833525.db2.gz SLEJMDLKHKKDQM-ATZDWAIDSA-N 0 0 346.471 2.843 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000819680701 1276875447 /nfs/dbraw/zinc/87/54/47/1276875447.db2.gz GNQULUOZHCZOPC-FZMZJTMJSA-N 0 0 349.427 2.989 10 10 EFCERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000819979224 1276959314 /nfs/dbraw/zinc/95/93/14/1276959314.db2.gz SNXOXMKHLOYNIS-HKUYNNGSSA-N 0 0 346.471 2.687 10 10 EFCERN COc1ccc(N2CC[C@@H](CNc3ccnc4cccnc43)C2)cc1 ZINC000819934491 1276959972 /nfs/dbraw/zinc/95/99/72/1276959972.db2.gz JGODGPNEBFBFQL-HNNXBMFYSA-N 0 0 334.423 2.999 10 10 EFCERN COCc1nnc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819936702 1276960150 /nfs/dbraw/zinc/96/01/50/1276960150.db2.gz VMXXTXUPSGKLDA-LBPRGKRZSA-N 0 0 334.445 2.632 10 10 EFCERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000789848954 1277055707 /nfs/dbraw/zinc/05/57/07/1277055707.db2.gz CXYBLTSRYGJKRR-JTQLQIEISA-N 0 0 330.384 2.708 10 10 EFCERN O=C([O-])[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCc2c1cccc2F ZINC000789902135 1277088837 /nfs/dbraw/zinc/08/88/37/1277088837.db2.gz KYDRJYWTOLRENB-IBGZPJMESA-N 0 0 327.355 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCS[C@H](C)C3)C2)cc1 ZINC000923184083 1277157178 /nfs/dbraw/zinc/15/71/78/1277157178.db2.gz ABEAPCNMWKCJHP-KFWWJZLASA-N 0 0 349.500 2.857 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCS[C@@H](C)C3)C2)cc1 ZINC000923184089 1277157231 /nfs/dbraw/zinc/15/72/31/1277157231.db2.gz ABEAPCNMWKCJHP-ZNMIVQPWSA-N 0 0 349.500 2.857 10 10 EFCERN COC[C@@H](NC(=O)NCc1c(O)cccc1F)c1cccc(OC)c1 ZINC000923248606 1277366006 /nfs/dbraw/zinc/36/60/06/1277366006.db2.gz XYACMFQSPYMZGF-MRXNPFEDSA-N 0 0 348.374 2.727 10 10 EFCERN Cc1cc(CC(=O)NCCC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000821016853 1277398684 /nfs/dbraw/zinc/39/86/84/1277398684.db2.gz PFSKEAGJEUSHFK-UHFFFAOYSA-N 0 0 341.455 2.668 10 10 EFCERN CON1CCC(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000821033571 1277406689 /nfs/dbraw/zinc/40/66/89/1277406689.db2.gz WOEMZPKBNBBTQG-UHFFFAOYSA-N 0 0 345.487 2.907 10 10 EFCERN CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136408314 1277408006 /nfs/dbraw/zinc/40/80/06/1277408006.db2.gz KHMMVPGQVNDWKI-UHFFFAOYSA-N 0 0 342.395 2.807 10 10 EFCERN COc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000790378024 1277481554 /nfs/dbraw/zinc/48/15/54/1277481554.db2.gz LPUUEFOAHCZCTL-UHFFFAOYSA-N 0 0 337.782 2.879 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000815073440 1287298984 /nfs/dbraw/zinc/29/89/84/1287298984.db2.gz NIADIHWVHVNVQU-MOPGFXCFSA-N 0 0 346.471 2.939 10 10 EFCERN O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001175039506 1287300188 /nfs/dbraw/zinc/30/01/88/1287300188.db2.gz ZCFVJNVTDAMTFD-HNNXBMFYSA-N 0 0 337.297 2.987 10 10 EFCERN CC[C@@H](C)n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000790866511 1277813398 /nfs/dbraw/zinc/81/33/98/1277813398.db2.gz NURGXIPNPUJNRX-VXGBXAGGSA-N 0 0 331.416 2.935 10 10 EFCERN Cc1cc(N2CC[C@@H](Nc3ccccc3NC(C)C)C2=O)n(C)n1 ZINC000871846352 1287319749 /nfs/dbraw/zinc/31/97/49/1287319749.db2.gz XRECMZYKSQSVPU-MRXNPFEDSA-N 0 0 327.432 2.766 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000844777376 1279246995 /nfs/dbraw/zinc/24/69/95/1279246995.db2.gz JZAAFAURRYHOJU-YWZLYKJASA-N 0 0 341.455 2.848 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2nc3c(s2)CCC3)cc1 ZINC000844857297 1279288537 /nfs/dbraw/zinc/28/85/37/1279288537.db2.gz SLIKZQJIKDYHIK-UHFFFAOYSA-N 0 0 345.468 2.849 10 10 EFCERN COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000792936741 1279289511 /nfs/dbraw/zinc/28/95/11/1279289511.db2.gz POWRGBBOJSXSKO-CYBMUJFWSA-N 0 0 344.411 2.840 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cn3ccnc3s2)cc1 ZINC000844855768 1279311969 /nfs/dbraw/zinc/31/19/69/1279311969.db2.gz HJRDDPQDPPVGJB-UHFFFAOYSA-N 0 0 344.440 2.613 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000844887503 1279317070 /nfs/dbraw/zinc/31/70/70/1279317070.db2.gz HQDWEQNHHXASIS-GOSISDBHSA-N 0 0 331.460 2.997 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000844973683 1279368855 /nfs/dbraw/zinc/36/88/55/1279368855.db2.gz LRHGBPXWYQULNB-CABCVRRESA-N 0 0 330.787 2.905 10 10 EFCERN O=C(NCc1cccnc1F)NCc1c(O)ccc2c1CCCC2 ZINC000793204885 1279465335 /nfs/dbraw/zinc/46/53/35/1279465335.db2.gz NBIKKAUYNOICCQ-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN CC[C@@H]1C[C@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000845265418 1279518946 /nfs/dbraw/zinc/51/89/46/1279518946.db2.gz KJROZECDJZROFZ-NVXWUHKLSA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CCCCCO3)C2)cc1 ZINC000845267150 1279519287 /nfs/dbraw/zinc/51/92/87/1279519287.db2.gz BCIUKOXVRDENDO-OAHLLOKOSA-N 0 0 333.432 2.649 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CC4(F)F)CC3)cc2N1 ZINC000845689576 1279765346 /nfs/dbraw/zinc/76/53/46/1279765346.db2.gz REBDVJMGKGPCNC-UHFFFAOYSA-N 0 0 339.298 2.551 10 10 EFCERN Cc1nn(CC2CC2)c(C)c1CC(=O)N(C)Cc1ccccc1O ZINC000845792660 1279848741 /nfs/dbraw/zinc/84/87/41/1279848741.db2.gz ZTUCXKLMUDBYOX-UHFFFAOYSA-N 0 0 327.428 2.817 10 10 EFCERN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1ccccc1O ZINC000845833108 1279882635 /nfs/dbraw/zinc/88/26/35/1279882635.db2.gz HWMNBUJZTIEZSD-UHFFFAOYSA-N 0 0 344.358 2.559 10 10 EFCERN COc1cccc(CNC(=O)c2oc(COC(C)(C)C)nc2C)c1O ZINC000845834233 1279883770 /nfs/dbraw/zinc/88/37/70/1279883770.db2.gz RPZGOHOHWKRMSE-UHFFFAOYSA-N 0 0 348.399 2.942 10 10 EFCERN CCc1ccncc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000845926397 1279938345 /nfs/dbraw/zinc/93/83/45/1279938345.db2.gz ZEYXDOZWXUKYQA-CYBMUJFWSA-N 0 0 340.427 2.526 10 10 EFCERN Cc1ccc(C(=O)N2CCC(F)(c3ccccn3)CC2)c(O)c1O ZINC000846099028 1280032314 /nfs/dbraw/zinc/03/23/14/1280032314.db2.gz UNYFQLNAJSVNBT-UHFFFAOYSA-N 0 0 330.359 2.902 10 10 EFCERN CNC(=O)C[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168786 1280045397 /nfs/dbraw/zinc/04/53/97/1280045397.db2.gz VSXIFAYXHNYGJZ-CJNGLKHVSA-N 0 0 328.412 2.929 10 10 EFCERN COc1ccccc1-c1ncc(/C=C2/SC(=S)N(C)C2=O)cn1 ZINC000794185679 1280061644 /nfs/dbraw/zinc/06/16/44/1280061644.db2.gz PCMVKCAMTWOVFA-NTUHNPAUSA-N 0 0 343.433 2.983 10 10 EFCERN Cc1ccccc1[C@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237964 1280081409 /nfs/dbraw/zinc/08/14/09/1280081409.db2.gz JAQSRSBDAFNPKQ-LBPRGKRZSA-N 0 0 340.383 2.635 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000815259740 1287396454 /nfs/dbraw/zinc/39/64/54/1287396454.db2.gz YZGGRWMHCSGNSK-MOPGFXCFSA-N 0 0 346.471 2.985 10 10 EFCERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846330997 1280114388 /nfs/dbraw/zinc/11/43/88/1280114388.db2.gz NFFXBZOYSZFNGZ-YRVUAQOOSA-N 0 0 347.411 2.832 10 10 EFCERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000846320825 1280114398 /nfs/dbraw/zinc/11/43/98/1280114398.db2.gz VPBIZNGETHCBRM-LJQANCHMSA-N 0 0 341.386 2.537 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1OCCCO2 ZINC001175321332 1287401620 /nfs/dbraw/zinc/40/16/20/1287401620.db2.gz HJEQOZJTEGSDLT-VURMDHGXSA-N 0 0 327.336 2.911 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000822497126 1289015679 /nfs/dbraw/zinc/01/56/79/1289015679.db2.gz KZTKQAVTRZKTCU-CQSZACIVSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(CNC(=O)c2cc(Cl)c(O)c(OC)c2)c(O)c1 ZINC000794383260 1280164422 /nfs/dbraw/zinc/16/44/22/1280164422.db2.gz KNUSIMMGMSSEHK-UHFFFAOYSA-N 0 0 337.759 2.698 10 10 EFCERN Cc1cc(C(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000846448437 1280170097 /nfs/dbraw/zinc/17/00/97/1280170097.db2.gz QUYRBOVKYIUNBH-IBGZPJMESA-N 0 0 346.402 2.505 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[C@]1(O)CCOC1 ZINC000846452490 1280172386 /nfs/dbraw/zinc/17/23/86/1280172386.db2.gz QKQLCXKSRJLORZ-FQEVSTJZSA-N 0 0 342.439 2.674 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)c2ncccc2F)cc1 ZINC000846442724 1280182364 /nfs/dbraw/zinc/18/23/64/1280182364.db2.gz VEUVVDSODRANPM-AWEZNQCLSA-N 0 0 345.418 2.928 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN1CC(F)(F)F ZINC000846476006 1280191693 /nfs/dbraw/zinc/19/16/93/1280191693.db2.gz HWMYVNMBEXMCIO-LLVKDONJSA-N 0 0 336.741 2.689 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cnc(OCC2CC2)cn1 ZINC000846476424 1280191589 /nfs/dbraw/zinc/19/15/89/1280191589.db2.gz LYRJBCFXHUWRJN-UHFFFAOYSA-N 0 0 333.775 2.554 10 10 EFCERN CC(C)(C)OC(=O)CSCC(=O)NCc1cc(Cl)ccc1O ZINC000846475807 1280192007 /nfs/dbraw/zinc/19/20/07/1280192007.db2.gz JWRBQCWHXQAUDZ-UHFFFAOYSA-N 0 0 345.848 2.737 10 10 EFCERN CCN(CC)c1ccc(CNc2ncncc2C(=O)OC)cc1F ZINC000804444075 1280223763 /nfs/dbraw/zinc/22/37/63/1280223763.db2.gz SYVRLPHZMLEUPY-UHFFFAOYSA-N 0 0 332.379 2.861 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccc(F)cc1 ZINC000846558379 1280276031 /nfs/dbraw/zinc/27/60/31/1280276031.db2.gz FNJXDQRTBDYIMI-CCHLGUQTSA-N 0 0 346.427 2.579 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc(CN(C)C)o2)cc1 ZINC001144878705 1280297290 /nfs/dbraw/zinc/29/72/90/1280297290.db2.gz AGNZNWLVIFMJLZ-UHFFFAOYSA-N 0 0 345.443 2.558 10 10 EFCERN CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCCOC1 ZINC000846697376 1280426668 /nfs/dbraw/zinc/42/66/68/1280426668.db2.gz PBYJBWVXPPXRHY-HNNXBMFYSA-N 0 0 345.468 2.957 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)CCN3)cc1 ZINC000846696807 1280429201 /nfs/dbraw/zinc/42/92/01/1280429201.db2.gz HYXWZYOUGKCLLY-UHFFFAOYSA-N 0 0 339.439 2.872 10 10 EFCERN CSCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805132298 1280453086 /nfs/dbraw/zinc/45/30/86/1280453086.db2.gz PUALKQFFCQCEKU-UHFFFAOYSA-N 0 0 333.251 2.707 10 10 EFCERN C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)(C)C ZINC000846746562 1280472471 /nfs/dbraw/zinc/47/24/71/1280472471.db2.gz CZYNXJYMGSEIGV-CQSZACIVSA-N 0 0 345.487 2.794 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCS1 ZINC000805196790 1280478472 /nfs/dbraw/zinc/47/84/72/1280478472.db2.gz NEVYCTHVCUOOQT-NSHDSACASA-N 0 0 345.262 2.850 10 10 EFCERN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000872119790 1287434944 /nfs/dbraw/zinc/43/49/44/1287434944.db2.gz VTGGNNALSGBSGE-FZMOHWGLSA-N 0 0 345.411 2.677 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccnc(-c2ccccn2)n1 ZINC001146246687 1280846849 /nfs/dbraw/zinc/84/68/49/1280846849.db2.gz CTDHEYVHBZHAFL-UHFFFAOYSA-N 0 0 340.770 2.828 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001146247365 1280847482 /nfs/dbraw/zinc/84/74/82/1280847482.db2.gz LIIFSWAPSRRSRL-FZKQIMNGSA-N 0 0 342.782 2.572 10 10 EFCERN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000872167663 1287456924 /nfs/dbraw/zinc/45/69/24/1287456924.db2.gz GWFJWHZKPYLLOU-STQMWFEESA-N 0 0 330.350 2.756 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NOC1CCCC1 ZINC000805259264 1281047169 /nfs/dbraw/zinc/04/71/69/1281047169.db2.gz FXTLORVPZYUTNP-UHFFFAOYSA-N 0 0 329.194 2.828 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C2CN(CC(F)(F)F)C2)cc1 ZINC000806509442 1281075405 /nfs/dbraw/zinc/07/54/05/1281075405.db2.gz AEGRQIWXRMGORH-UHFFFAOYSA-N 0 0 343.393 2.643 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCCC[C@@H]2CCO)cc1F ZINC000806635956 1281119697 /nfs/dbraw/zinc/11/96/97/1281119697.db2.gz XZOFFHFGVCSQRL-OAHLLOKOSA-N 0 0 337.439 2.728 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@H](CF)C2=O)c(C)n1-c1ccccc1 ZINC000806672042 1281123899 /nfs/dbraw/zinc/12/38/99/1281123899.db2.gz MCMCUMZBWRPVQK-MRXNPFEDSA-N 0 0 329.375 2.527 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCC[C@@H]1CCO ZINC000806820735 1281158845 /nfs/dbraw/zinc/15/88/45/1281158845.db2.gz GOFACTNRONLRBM-QGZVFWFLSA-N 0 0 333.476 2.898 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCOCC1 ZINC000807076549 1281216241 /nfs/dbraw/zinc/21/62/41/1281216241.db2.gz LTTDAVZLXSVGGI-GFCCVEGCSA-N 0 0 343.221 2.523 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1=CC(=O)CS1 ZINC000807738777 1281402283 /nfs/dbraw/zinc/40/22/83/1281402283.db2.gz GSPUQXCFDLFIII-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2c1OCCO2 ZINC000808095430 1281535681 /nfs/dbraw/zinc/53/56/81/1281535681.db2.gz FDWMRNLYPGDZQO-UHFFFAOYSA-N 0 0 334.368 2.579 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)Cc2ccc(C)c(C)c2)c1 ZINC000808296205 1281649785 /nfs/dbraw/zinc/64/97/85/1281649785.db2.gz NBRKBJGMQGPINB-UHFFFAOYSA-N 0 0 335.425 2.637 10 10 EFCERN COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1OC ZINC000808384520 1281696645 /nfs/dbraw/zinc/69/66/45/1281696645.db2.gz CCXIZPIMAUEYCS-UHFFFAOYSA-N 0 0 332.356 2.916 10 10 EFCERN Cc1c(NCc2ccccc2O)cccc1N1C(=O)N[C@H](C)C1=O ZINC000808446722 1281715023 /nfs/dbraw/zinc/71/50/23/1281715023.db2.gz KXKPJIMVCDAMFE-GFCCVEGCSA-N 0 0 325.368 2.757 10 10 EFCERN CC(=O)C(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 ZINC000808484804 1281732667 /nfs/dbraw/zinc/73/26/67/1281732667.db2.gz JSQMXTRBUBAHCK-UHFFFAOYSA-N 0 0 326.304 2.666 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(Cl)c(F)c1 ZINC000808469224 1281739063 /nfs/dbraw/zinc/73/90/63/1281739063.db2.gz AXWDNDGAIJPEFH-UHFFFAOYSA-N 0 0 335.766 2.979 10 10 EFCERN CC(=O)C(=O)COC(=O)CCOc1ccccc1-c1ccccc1 ZINC000808502526 1281742143 /nfs/dbraw/zinc/74/21/43/1281742143.db2.gz LDCQDZYVYFZWIP-UHFFFAOYSA-N 0 0 326.348 2.824 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 ZINC000808501583 1281742273 /nfs/dbraw/zinc/74/22/73/1281742273.db2.gz LTUIXGAEOOXEQU-MRXNPFEDSA-N 0 0 343.402 2.695 10 10 EFCERN CC(=O)C(=O)COC(=O)CCCOc1cccc(Cl)c1Cl ZINC000808509307 1281747318 /nfs/dbraw/zinc/74/73/18/1281747318.db2.gz PNLSQSVGUDCRSL-UHFFFAOYSA-N 0 0 333.167 2.854 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000808516071 1281749714 /nfs/dbraw/zinc/74/97/14/1281749714.db2.gz XWUCTQNIMDLAMV-QGZVFWFLSA-N 0 0 348.301 2.786 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000808523333 1281753353 /nfs/dbraw/zinc/75/33/53/1281753353.db2.gz FCCRTUIVCXOZDN-UHFFFAOYSA-N 0 0 327.258 2.512 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000808530926 1281762782 /nfs/dbraw/zinc/76/27/82/1281762782.db2.gz HIWXMWBDOPNNSO-UHFFFAOYSA-N 0 0 340.331 2.996 10 10 EFCERN CC(=O)C(=O)COC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000808539742 1281769694 /nfs/dbraw/zinc/76/96/94/1281769694.db2.gz ISYKGCUDVFGTDM-UHFFFAOYSA-N 0 0 332.274 2.564 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000808545582 1281774186 /nfs/dbraw/zinc/77/41/86/1281774186.db2.gz GXCQSXILEXFOJY-UHFFFAOYSA-N 0 0 327.258 2.519 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000747517426 1281819502 /nfs/dbraw/zinc/81/95/02/1281819502.db2.gz ARRQIZCLSOHOPS-SNVBAGLBSA-N 0 0 327.340 2.875 10 10 EFCERN CCOC(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805319972 1281843454 /nfs/dbraw/zinc/84/34/54/1281843454.db2.gz FCRAHDLDAQRBKI-UHFFFAOYSA-N 0 0 345.237 2.769 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808730602 1281885473 /nfs/dbraw/zinc/88/54/73/1281885473.db2.gz YPBFZMXQBKLLLP-NHYWBVRUSA-N 0 0 345.370 2.972 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000808730600 1281885893 /nfs/dbraw/zinc/88/58/93/1281885893.db2.gz YPBFZMXQBKLLLP-IAQYHMDHSA-N 0 0 345.370 2.972 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCN(C)c3ncccc3C2)c1O ZINC000872318712 1287539129 /nfs/dbraw/zinc/53/91/29/1287539129.db2.gz OXUFXELTIPMDRY-UHFFFAOYSA-N 0 0 329.375 2.581 10 10 EFCERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000809696382 1282379980 /nfs/dbraw/zinc/37/99/80/1282379980.db2.gz ILCRNRMXTHMRBM-BBRMVZONSA-N 0 0 344.377 2.675 10 10 EFCERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000809696383 1282380012 /nfs/dbraw/zinc/38/00/12/1282380012.db2.gz ILCRNRMXTHMRBM-CJNGLKHVSA-N 0 0 344.377 2.675 10 10 EFCERN CCN(CC)c1ccc(CN2CCN(CC(F)(F)F)C(=O)C2)cc1 ZINC000809711296 1282421491 /nfs/dbraw/zinc/42/14/91/1282421491.db2.gz SDOZTIWVZXDLFV-UHFFFAOYSA-N 0 0 343.393 2.739 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@]3(CCCOC3)C2)cc1F ZINC000747583351 1282652821 /nfs/dbraw/zinc/65/28/21/1282652821.db2.gz CFOIEFAEEUGRDA-IBGZPJMESA-N 0 0 349.450 2.994 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000747583353 1282652887 /nfs/dbraw/zinc/65/28/87/1282652887.db2.gz CFOIEFAEEUGRDA-LJQANCHMSA-N 0 0 349.450 2.994 10 10 EFCERN CCOC(=O)c1c(C)onc1CN1CCOc2cc(N(C)C)ccc21 ZINC000809969179 1282662509 /nfs/dbraw/zinc/66/25/09/1282662509.db2.gz OMSCCBZGQJEHMQ-UHFFFAOYSA-N 0 0 345.399 2.625 10 10 EFCERN Cc1cc(CNC(=O)CCn2ccccc2=O)c(C)n1-c1ccccc1 ZINC001132048462 1282845851 /nfs/dbraw/zinc/84/58/51/1282845851.db2.gz WAVGXXHEXCHWDN-UHFFFAOYSA-N 0 0 349.434 2.962 10 10 EFCERN CCc1ncnc(CC)c1C(=O)NCCCSc1nccs1 ZINC000815590936 1287618766 /nfs/dbraw/zinc/61/87/66/1287618766.db2.gz PLEGVPUGVFGDOO-UHFFFAOYSA-N 0 0 336.486 2.970 10 10 EFCERN C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[C@H]2C[C@H]2C1 ZINC000815655051 1287654108 /nfs/dbraw/zinc/65/41/08/1287654108.db2.gz HCDLMJRDVIQSLS-WGMWDUQUSA-N 0 0 342.483 2.948 10 10 EFCERN Cc1cc(C(=O)COC(=O)Cc2cncnc2)c(C)n1-c1ccccc1 ZINC000811332400 1284241197 /nfs/dbraw/zinc/24/11/97/1284241197.db2.gz OCMYSSQJQSIYQK-UHFFFAOYSA-N 0 0 349.390 2.853 10 10 EFCERN O=C(C1CC1)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000811502455 1284383258 /nfs/dbraw/zinc/38/32/58/1284383258.db2.gz URGFAKQDWVBVKV-LJQANCHMSA-N 0 0 328.456 2.857 10 10 EFCERN COc1c(O)c(CN2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000811508186 1284385500 /nfs/dbraw/zinc/38/55/00/1284385500.db2.gz DXUQHEABKRWFOC-UHFFFAOYSA-N 0 0 343.339 2.658 10 10 EFCERN O=C1CCN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2N1 ZINC000811508177 1284385868 /nfs/dbraw/zinc/38/58/68/1284385868.db2.gz DPLHMYBBKGZLGR-UHFFFAOYSA-N 0 0 337.423 2.872 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000822503464 1289017838 /nfs/dbraw/zinc/01/78/38/1289017838.db2.gz SNUYBTRVBUSZHY-CQSZACIVSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(O)c(CNc2cnn(Cc3ccccc3)c(=O)c2)c1 ZINC000811804816 1284634952 /nfs/dbraw/zinc/63/49/52/1284634952.db2.gz BZODUZNKQBENQU-UHFFFAOYSA-N 0 0 337.379 2.618 10 10 EFCERN COC(=O)c1cc(NCCc2ccc(O)c(O)c2)cc(C)c1[N+](=O)[O-] ZINC000811811440 1284642879 /nfs/dbraw/zinc/64/28/79/1284642879.db2.gz URHWVBVENNURRF-UHFFFAOYSA-N 0 0 346.339 2.756 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@](C)(CO)C(C)C)cc1F ZINC000812036540 1284828109 /nfs/dbraw/zinc/82/81/09/1284828109.db2.gz IUYOTUNFXVZZPQ-GOSISDBHSA-N 0 0 339.455 2.878 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC(c4ccccc4F)C3)cc2N1 ZINC000812486177 1285201043 /nfs/dbraw/zinc/20/10/43/1285201043.db2.gz YFUNBWRGEDUTEQ-UHFFFAOYSA-N 0 0 343.314 2.669 10 10 EFCERN CCCn1cc(CN(CC(=O)OCC)Cc2ccccc2O)cn1 ZINC000822511289 1289020602 /nfs/dbraw/zinc/02/06/02/1289020602.db2.gz BBOLHBXTJNRZLI-UHFFFAOYSA-N 0 0 331.416 2.564 10 10 EFCERN CCn1c(=O)[nH]c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc21 ZINC001171723037 1285740437 /nfs/dbraw/zinc/74/04/37/1285740437.db2.gz KQLHOMMWSIKUDK-LLVKDONJSA-N 0 0 325.368 2.958 10 10 EFCERN C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)c1ccccc1O ZINC001171723094 1285740493 /nfs/dbraw/zinc/74/04/93/1285740493.db2.gz MCZRMRQGBPMGPR-MRVPVSSYSA-N 0 0 337.173 2.746 10 10 EFCERN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC001171723113 1285740664 /nfs/dbraw/zinc/74/06/64/1285740664.db2.gz MNQVZYDMCSHRRK-KAECEXQPSA-N 0 0 349.394 2.563 10 10 EFCERN C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1O ZINC001171723485 1285742032 /nfs/dbraw/zinc/74/20/32/1285742032.db2.gz RZXFRWKGSCQFIH-LBPRGKRZSA-N 0 0 338.363 2.537 10 10 EFCERN C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1ccccc1O ZINC001171723554 1285742253 /nfs/dbraw/zinc/74/22/53/1285742253.db2.gz ULTGTDWCASHCJJ-YGRLFVJLSA-N 0 0 328.343 2.835 10 10 EFCERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1O ZINC001171723473 1285742457 /nfs/dbraw/zinc/74/24/57/1285742457.db2.gz RUPDDSBADMPYPI-SECBINFHSA-N 0 0 330.296 2.520 10 10 EFCERN CCOC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000822553436 1289029484 /nfs/dbraw/zinc/02/94/84/1289029484.db2.gz JIVBVFFQVVCECT-UHFFFAOYSA-N 0 0 334.485 2.815 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000822553808 1289029809 /nfs/dbraw/zinc/02/98/09/1289029809.db2.gz NUWKGRVHHWNQCQ-QGZVFWFLSA-N 0 0 334.485 2.671 10 10 EFCERN O=C(C[C@@H](O)Cc1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000813489950 1285948620 /nfs/dbraw/zinc/94/86/20/1285948620.db2.gz FVVSDPQTZISGSA-KRWDZBQOSA-N 0 0 339.435 2.881 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000813512859 1285956934 /nfs/dbraw/zinc/95/69/34/1285956934.db2.gz ABPTXUHZIGTLPR-LLVKDONJSA-N 0 0 338.363 2.713 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001136603533 1289041944 /nfs/dbraw/zinc/04/19/44/1289041944.db2.gz BXSICNZHWXMMMG-CQSZACIVSA-N 0 0 341.363 2.733 10 10 EFCERN C[C@H](NC(=O)C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000813525616 1285964336 /nfs/dbraw/zinc/96/43/36/1285964336.db2.gz WWGHXOBPTXNVQT-KXBFYZLASA-N 0 0 326.440 2.924 10 10 EFCERN C[C@@H](NC(=O)C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000813525613 1285964464 /nfs/dbraw/zinc/96/44/64/1285964464.db2.gz WWGHXOBPTXNVQT-DNVCBOLYSA-N 0 0 326.440 2.924 10 10 EFCERN C/C(=C\C(=O)N1C[C@@H](C)Oc2cc(F)c(F)cc21)c1cnccn1 ZINC001134155042 1286384634 /nfs/dbraw/zinc/38/46/34/1286384634.db2.gz RUYOEYCXVYCJLG-IGLBNKAOSA-N 0 0 331.322 2.972 10 10 EFCERN CC(F)(F)C(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822721655 1289102149 /nfs/dbraw/zinc/10/21/49/1289102149.db2.gz XMSPGFASBNXRAM-UHFFFAOYSA-N 0 0 326.387 2.821 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@@](C)(c2noc(C)n2)C2CC2)c1O ZINC000814670992 1286912482 /nfs/dbraw/zinc/91/24/82/1286912482.db2.gz NOKODIJSFIYSLE-QGZVFWFLSA-N 0 0 333.363 2.840 10 10 EFCERN CCOC(=O)c1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)on1 ZINC000822809074 1289118656 /nfs/dbraw/zinc/11/86/56/1289118656.db2.gz OSHLAPPGOMNDEA-UHFFFAOYSA-N 0 0 345.399 2.580 10 10 EFCERN COc1ccc(CCC(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000888577259 1287106736 /nfs/dbraw/zinc/10/67/36/1287106736.db2.gz YBTXLKVKPKVLJY-UHFFFAOYSA-N 0 0 331.391 2.544 10 10 EFCERN CN1CCCc2cc([C@@H]3NC(=O)[C@@H]4Cc5ccccc5CN34)ccc21 ZINC000871602161 1287168384 /nfs/dbraw/zinc/16/83/84/1287168384.db2.gz KZTSYJJTQUJQPI-VQTJNVASSA-N 0 0 333.435 2.624 10 10 EFCERN CCc1ncnc(CC)c1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000815835172 1287850585 /nfs/dbraw/zinc/85/05/85/1287850585.db2.gz LREHOXDHBWQSNG-NSHDSACASA-N 0 0 329.400 2.807 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CCc3cccc(OC)c32)c1 ZINC000815835556 1287850641 /nfs/dbraw/zinc/85/06/41/1287850641.db2.gz XKHMKAPIAZSELI-OAHLLOKOSA-N 0 0 327.380 2.756 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@H]2CCc3cccc(OC)c32)c1 ZINC000815835555 1287850806 /nfs/dbraw/zinc/85/08/06/1287850806.db2.gz XKHMKAPIAZSELI-HNNXBMFYSA-N 0 0 327.380 2.756 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC000815834819 1287851556 /nfs/dbraw/zinc/85/15/56/1287851556.db2.gz AZBMMTIIQWQIJH-UHFFFAOYSA-N 0 0 340.379 2.561 10 10 EFCERN Cc1cc(=O)[nH]c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000815860497 1287872122 /nfs/dbraw/zinc/87/21/22/1287872122.db2.gz NYTKWFZRKOBPHT-OAHLLOKOSA-N 0 0 342.395 2.623 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000816028636 1287960949 /nfs/dbraw/zinc/96/09/49/1287960949.db2.gz KRCUGGDBNOWJLQ-RISCZKNCSA-N 0 0 327.380 2.581 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000816028634 1287961259 /nfs/dbraw/zinc/96/12/59/1287961259.db2.gz KRCUGGDBNOWJLQ-BXUZGUMPSA-N 0 0 327.380 2.581 10 10 EFCERN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cccc(O)c1O ZINC001176564652 1288040467 /nfs/dbraw/zinc/04/04/67/1288040467.db2.gz CODXAVJHAJNWGK-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN Cc1cc(-n2c(C)cc(C(=O)NCc3cccc(O)c3O)c2C)no1 ZINC001176565683 1288041395 /nfs/dbraw/zinc/04/13/95/1288041395.db2.gz OHLNASWFFCBVGI-UHFFFAOYSA-N 0 0 341.367 2.732 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1c(C2CCC2)cnn1C ZINC000822911112 1289151663 /nfs/dbraw/zinc/15/16/63/1289151663.db2.gz YUEFYYHAFSNGRA-UHFFFAOYSA-N 0 0 328.416 2.735 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000822919344 1289153602 /nfs/dbraw/zinc/15/36/02/1289153602.db2.gz JCMKOWAWHABXKX-QFBILLFUSA-N 0 0 346.471 2.939 10 10 EFCERN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1cc(O)ccc1O ZINC001176748053 1288094133 /nfs/dbraw/zinc/09/41/33/1288094133.db2.gz IOHBSAKMAHGNOS-UHFFFAOYSA-N 0 0 346.408 2.746 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000816502456 1288173351 /nfs/dbraw/zinc/17/33/51/1288173351.db2.gz BLCQRVODNNMRJE-CQSZACIVSA-N 0 0 342.842 2.871 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c(O)c1 ZINC000816550291 1288199451 /nfs/dbraw/zinc/19/94/51/1288199451.db2.gz NJCIRWYAHBVYBJ-UHFFFAOYSA-N 0 0 340.379 2.561 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2CCc3cccc(OC)c32)c(O)c1 ZINC000816550823 1288200159 /nfs/dbraw/zinc/20/01/59/1288200159.db2.gz DOPLJXRSMGWSNV-HNNXBMFYSA-N 0 0 327.380 2.756 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2cncn2Cc2ccccc2)cc1 ZINC001135643083 1288222301 /nfs/dbraw/zinc/22/23/01/1288222301.db2.gz PFTYRQFKXNVGPI-UHFFFAOYSA-N 0 0 348.450 2.856 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001177745785 1288532062 /nfs/dbraw/zinc/53/20/62/1288532062.db2.gz XULXHAYBBAENSZ-WIRRBCGGSA-N 0 0 329.327 2.699 10 10 EFCERN O=C(COc1ccc(N2CCCCC2)c(Cl)c1)N1CCOCC1 ZINC000817380097 1288568372 /nfs/dbraw/zinc/56/83/72/1288568372.db2.gz MABAOEZQBKJWMJ-UHFFFAOYSA-N 0 0 338.835 2.568 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](OC(C)C)C3)C2)cc1 ZINC000852378085 1299682947 /nfs/dbraw/zinc/68/29/47/1299682947.db2.gz XUNNSYNAQPDDOH-RLFYNMQTSA-N 0 0 347.459 2.529 10 10 EFCERN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000817525949 1288633650 /nfs/dbraw/zinc/63/36/50/1288633650.db2.gz YAIVAWPHHUAIEF-OAHLLOKOSA-N 0 0 326.444 2.830 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Cc2nnc(C3CC3)[nH]2)cc1 ZINC001135946316 1288657246 /nfs/dbraw/zinc/65/72/46/1288657246.db2.gz NYKQWHGXSSCIJL-UHFFFAOYSA-N 0 0 341.459 2.729 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000821450040 1288721857 /nfs/dbraw/zinc/72/18/57/1288721857.db2.gz AIGPCYRWLCAIME-OAHLLOKOSA-N 0 0 341.402 2.708 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000822197373 1288904875 /nfs/dbraw/zinc/90/48/75/1288904875.db2.gz YOMWJSWJHCZSHN-ZIAGYGMSSA-N 0 0 328.334 2.542 10 10 EFCERN CCOc1cccc(CNC(C)(C)c2nocc2C(=O)OC)c1O ZINC000822534699 1289013350 /nfs/dbraw/zinc/01/33/50/1289013350.db2.gz UJAUPPFEWGRZSL-UHFFFAOYSA-N 0 0 334.372 2.590 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C2=C[S@@](=O)CCC2)cc1F ZINC001136730451 1289323752 /nfs/dbraw/zinc/32/37/52/1289323752.db2.gz PLYIJNRYUODUFZ-QHCPKHFHSA-N 0 0 338.448 2.715 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC12CCCC2 ZINC000823520688 1289334648 /nfs/dbraw/zinc/33/46/48/1289334648.db2.gz YKGYMIXZOQBKSE-UHFFFAOYSA-N 0 0 343.471 2.876 10 10 EFCERN CCC1(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000823548407 1289370941 /nfs/dbraw/zinc/37/09/41/1289370941.db2.gz NPWCWHINPSSXCQ-UHFFFAOYSA-N 0 0 331.460 2.780 10 10 EFCERN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548786 1289371201 /nfs/dbraw/zinc/37/12/01/1289371201.db2.gz WPUVXYMWMSKJMK-CVEARBPZSA-N 0 0 345.487 2.978 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000823552045 1289372616 /nfs/dbraw/zinc/37/26/16/1289372616.db2.gz MDBRBJHDWVWSQX-JEBQAFNWSA-N 0 0 329.444 2.619 10 10 EFCERN CC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000872842936 1289419269 /nfs/dbraw/zinc/41/92/69/1289419269.db2.gz CXKIDZDXFLTHCC-UHFFFAOYSA-N 0 0 329.444 2.797 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3ccc[nH]3)C2)cc1 ZINC000823725837 1289434759 /nfs/dbraw/zinc/43/47/59/1289434759.db2.gz JAHPOXQOVUODEB-OAHLLOKOSA-N 0 0 342.443 2.691 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3ccc[nH]3)C2)cc1 ZINC000823725836 1289434808 /nfs/dbraw/zinc/43/48/08/1289434808.db2.gz JAHPOXQOVUODEB-HNNXBMFYSA-N 0 0 342.443 2.691 10 10 EFCERN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000823834590 1289463380 /nfs/dbraw/zinc/46/33/80/1289463380.db2.gz JYSZBDXWSHVMNU-TXPKVOOTSA-N 0 0 346.471 2.906 10 10 EFCERN CO[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000823834979 1289463943 /nfs/dbraw/zinc/46/39/43/1289463943.db2.gz SBKXDSCHACROAM-QGPMSJSTSA-N 0 0 332.444 2.516 10 10 EFCERN COc1ccc(COCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001180409571 1289527486 /nfs/dbraw/zinc/52/74/86/1289527486.db2.gz CGYHHKOEJLSKQF-UHFFFAOYSA-N 0 0 335.787 2.887 10 10 EFCERN COc1cc(OC)c(C(=O)NCc2cccc(Cl)c2O)cc1C=O ZINC001180420231 1289531101 /nfs/dbraw/zinc/53/11/01/1289531101.db2.gz IZQFYVXWBGJCEW-UHFFFAOYSA-N 0 0 349.770 2.805 10 10 EFCERN COc1cc(CC(=O)NCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000824262192 1289592842 /nfs/dbraw/zinc/59/28/42/1289592842.db2.gz TUXNXFRICVOONE-UHFFFAOYSA-N 0 0 339.439 2.939 10 10 EFCERN Oc1ccccc1CN(Cc1cn(C2CCC2)nn1)C[C@H]1CCCO1 ZINC000824507717 1289694570 /nfs/dbraw/zinc/69/45/70/1289694570.db2.gz MEFZHMCRAQDSPX-GOSISDBHSA-N 0 0 342.443 2.890 10 10 EFCERN COc1ccc(N2CCCN(Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000824605642 1289723323 /nfs/dbraw/zinc/72/33/23/1289723323.db2.gz JTQLHGIMUZGNRL-UHFFFAOYSA-N 0 0 341.459 2.724 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1nn2c(c1C)OCCC2 ZINC000825679659 1289913647 /nfs/dbraw/zinc/91/36/47/1289913647.db2.gz YTWAYJAANSWPEL-UHFFFAOYSA-N 0 0 329.400 2.732 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000873829438 1290074768 /nfs/dbraw/zinc/07/47/68/1290074768.db2.gz OBQLCCQDWCXJEF-HZPDHXFCSA-N 0 0 332.444 2.737 10 10 EFCERN CCc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000795593323 1290634339 /nfs/dbraw/zinc/63/43/39/1290634339.db2.gz ZIMLODVAHLVYAZ-CYBMUJFWSA-N 0 0 343.427 2.873 10 10 EFCERN COc1cc(Br)cc(CN(C)Cc2cnccn2)c1O ZINC000092590909 1290791913 /nfs/dbraw/zinc/79/19/13/1290791913.db2.gz RZVRCTYIIJFACD-UHFFFAOYSA-N 0 0 338.205 2.585 10 10 EFCERN COc1c([O-])c(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775012902 1290948112 /nfs/dbraw/zinc/94/81/12/1290948112.db2.gz LDVCVLVNDIWBTC-BETUJISGSA-N 0 0 337.420 2.662 10 10 EFCERN COc1c(O)c(CNc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000775049167 1291019150 /nfs/dbraw/zinc/01/91/50/1291019150.db2.gz SXEYSCPOLSHONE-UHFFFAOYSA-N 0 0 341.327 2.502 10 10 EFCERN COc1c(O)c(CNc2ccc(OCCO)c(C)c2)ccc1[N+](=O)[O-] ZINC000775056531 1291031437 /nfs/dbraw/zinc/03/14/37/1291031437.db2.gz ZFDXNIBHLIHWGR-UHFFFAOYSA-N 0 0 348.355 2.601 10 10 EFCERN COC(=O)c1ccc(COc2ccc(N(C)C)c(C(=O)OC)c2)cc1 ZINC001166714419 1312826818 /nfs/dbraw/zinc/82/68/18/1312826818.db2.gz UABABJIRAXSEMM-UHFFFAOYSA-N 0 0 343.379 2.905 10 10 EFCERN COC(=O)c1cc2ccccc2c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000795673111 1291137464 /nfs/dbraw/zinc/13/74/64/1291137464.db2.gz DTFIQQYJPBCADC-OKILXGFUSA-N 0 0 329.396 2.941 10 10 EFCERN CC(=O)C1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000877301947 1291187686 /nfs/dbraw/zinc/18/76/86/1291187686.db2.gz RHKOQHBRRURDGV-UHFFFAOYSA-N 0 0 343.452 2.757 10 10 EFCERN COC(=O)c1cc(OCc2ccnc(N(C)C)c2)ccc1N(C)C ZINC001189967869 1291933417 /nfs/dbraw/zinc/93/34/17/1291933417.db2.gz HVRLUMCCMWJUTI-UHFFFAOYSA-N 0 0 329.400 2.579 10 10 EFCERN O=C(/C=C\c1cncc(O)c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000775376608 1292124154 /nfs/dbraw/zinc/12/41/54/1292124154.db2.gz GFTNYOIZPKLKGL-BHQIHCQQSA-N 0 0 339.370 2.955 10 10 EFCERN Cc1ccc(C(=O)NCc2ccn(Cc3ccccc3)n2)c(O)c1O ZINC000803666442 1312958917 /nfs/dbraw/zinc/95/89/17/1312958917.db2.gz DVBQHTRFJXCIMR-UHFFFAOYSA-N 0 0 337.379 2.581 10 10 EFCERN COc1cccc(CNS(=O)(=O)/C=C/c2ccccc2F)c1O ZINC000800057834 1293898214 /nfs/dbraw/zinc/89/82/14/1293898214.db2.gz KDDVRGALMQBTAW-MDZDMXLPSA-N 0 0 337.372 2.630 10 10 EFCERN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775661727 1293954645 /nfs/dbraw/zinc/95/46/45/1293954645.db2.gz HQPAPPNEBHQWJF-ZDUSSCGKSA-N 0 0 328.416 2.642 10 10 EFCERN COC1(CS(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000867125920 1294007378 /nfs/dbraw/zinc/00/73/78/1294007378.db2.gz PQQZGWUJUVJVKY-CQSZACIVSA-N 0 0 340.489 2.692 10 10 EFCERN CC/C=C(\F)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000867223783 1294440099 /nfs/dbraw/zinc/44/00/99/1294440099.db2.gz UYDQXHLGPMZZEB-QCDXTXTGSA-N 0 0 329.755 2.811 10 10 EFCERN Cc1cccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000096930761 1294590488 /nfs/dbraw/zinc/59/04/88/1294590488.db2.gz GGSXXLGDMGMPJA-NTCAYCPXSA-N 0 0 348.493 2.528 10 10 EFCERN COc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1C ZINC000775908404 1295292278 /nfs/dbraw/zinc/29/22/78/1295292278.db2.gz VKZZEYXQZCVHKD-UHFFFAOYSA-N 0 0 343.431 2.691 10 10 EFCERN COCC1(CCNC(=O)NCCCSc2nccs2)CC1 ZINC000826692831 1295954030 /nfs/dbraw/zinc/95/40/30/1295954030.db2.gz LRAZZYKKCQOVSS-UHFFFAOYSA-N 0 0 329.491 2.741 10 10 EFCERN Cc1cc(CCNC(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000776106175 1296350599 /nfs/dbraw/zinc/35/05/99/1296350599.db2.gz DGHVJMVDYWSMBO-HXUWFJFHSA-N 0 0 341.455 2.803 10 10 EFCERN COc1cccc(CNC(=O)NCc2nccc3c2CCCC3)c1O ZINC000924533993 1296773247 /nfs/dbraw/zinc/77/32/47/1296773247.db2.gz BCUIVTVCWUTFBL-UHFFFAOYSA-N 0 0 341.411 2.674 10 10 EFCERN CCn1nc(C)c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000924795841 1296784060 /nfs/dbraw/zinc/78/40/60/1296784060.db2.gz QOOGRJOTQPPKFU-CABCVRRESA-N 0 0 343.475 2.855 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776166818 1296795536 /nfs/dbraw/zinc/79/55/36/1296795536.db2.gz DJNKOOWNLOQOLT-KBPBESRZSA-N 0 0 335.448 2.845 10 10 EFCERN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000927040817 1296981130 /nfs/dbraw/zinc/98/11/30/1296981130.db2.gz YPKXMXTYDMYYJL-NSNUZPRRSA-N 0 0 329.849 2.804 10 10 EFCERN CCc1noc([C@@H]2CC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2)n1 ZINC000927345621 1297010577 /nfs/dbraw/zinc/01/05/77/1297010577.db2.gz JWKQQLIDXAIDAB-TZMCWYRMSA-N 0 0 344.415 2.815 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928134615 1297080188 /nfs/dbraw/zinc/08/01/88/1297080188.db2.gz CTEXNMPQWMVITF-DTRQGZQOSA-N 0 0 333.331 2.617 10 10 EFCERN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2F)c1C ZINC000928708398 1297126691 /nfs/dbraw/zinc/12/66/91/1297126691.db2.gz GSKIOUMPEDNPOR-UHFFFAOYSA-N 0 0 334.347 2.583 10 10 EFCERN COc1cc(C(=O)NCc2c(O)cccc2F)cc2c1O[C@@H](C)C2 ZINC000928708193 1297126780 /nfs/dbraw/zinc/12/67/80/1297126780.db2.gz DPMMMWURGPZCRP-JTQLQIEISA-N 0 0 331.343 2.793 10 10 EFCERN CC(C)[N@H+](Cc1[nH]nc2c1COCC2)Cc1ccc(N(C)C)cc1 ZINC000929296262 1297173144 /nfs/dbraw/zinc/17/31/44/1297173144.db2.gz PLSLCHPHMACQOC-UHFFFAOYSA-N 0 0 328.460 2.959 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000779490493 1298321323 /nfs/dbraw/zinc/32/13/23/1298321323.db2.gz ABCQAILQWZIGEA-KRXBUXKQSA-N 0 0 340.379 2.586 10 10 EFCERN COCCN(CCO[C@H]1CC1(F)F)c1ccc(OC)c(OC)c1 ZINC000851847059 1299430942 /nfs/dbraw/zinc/43/09/42/1299430942.db2.gz OTIDXNAQAJWNQS-HNNXBMFYSA-N 0 0 331.359 2.581 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccsc3)C2)cc1 ZINC000851958875 1299487082 /nfs/dbraw/zinc/48/70/82/1299487082.db2.gz FPVGIZXCLHGITJ-CQSZACIVSA-N 0 0 331.441 2.835 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccoc3C)C2)cc1 ZINC000851998639 1299498042 /nfs/dbraw/zinc/49/80/42/1299498042.db2.gz IQEZTHKKURGVTE-OAHLLOKOSA-N 0 0 329.400 2.675 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1F ZINC000852083076 1299540982 /nfs/dbraw/zinc/54/09/82/1299540982.db2.gz BMDHFSNGDHPMSO-HOTGVXAUSA-N 0 0 349.450 2.850 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1F ZINC000852083078 1299541356 /nfs/dbraw/zinc/54/13/56/1299541356.db2.gz BMDHFSNGDHPMSO-JKSUJKDBSA-N 0 0 349.450 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCSC)C2)cc1 ZINC000852121914 1299556586 /nfs/dbraw/zinc/55/65/86/1299556586.db2.gz BDDIZRAOPDLLNA-KBPBESRZSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)OC)C2)cc1 ZINC000852146667 1299564487 /nfs/dbraw/zinc/56/44/87/1299564487.db2.gz HTQIIWXMNAMRKC-LSDHHAIUSA-N 0 0 349.475 2.777 10 10 EFCERN CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852190629 1299586372 /nfs/dbraw/zinc/58/63/72/1299586372.db2.gz MYJOEYCPWPGBAU-OAHLLOKOSA-N 0 0 333.476 2.739 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccc[nH]3)C2)cc1 ZINC000852232097 1299608285 /nfs/dbraw/zinc/60/82/85/1299608285.db2.gz MVWKSGVDMZYVEY-UONOGXRCSA-N 0 0 328.416 2.662 10 10 EFCERN C[C@H](NC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000852260921 1299621343 /nfs/dbraw/zinc/62/13/43/1299621343.db2.gz GQHRFTNEGXEQIB-SJCJKPOMSA-N 0 0 341.402 2.879 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)cc1 ZINC000852267562 1299623335 /nfs/dbraw/zinc/62/33/35/1299623335.db2.gz WGOTWDOGRSKJIT-RHSMWYFYSA-N 0 0 347.459 2.531 10 10 EFCERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(F)(F)F ZINC000852272653 1299626626 /nfs/dbraw/zinc/62/66/26/1299626626.db2.gz RETDTKJKCXJEEH-RISCZKNCSA-N 0 0 345.365 2.914 10 10 EFCERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(F)(F)F ZINC000852272652 1299627067 /nfs/dbraw/zinc/62/70/67/1299627067.db2.gz RETDTKJKCXJEEH-FZMZJTMJSA-N 0 0 345.365 2.914 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(SC)CCC3)C2)cc1 ZINC000852286996 1299633171 /nfs/dbraw/zinc/63/31/71/1299633171.db2.gz QRWAFDNUFLQOGW-CQSZACIVSA-N 0 0 349.500 2.859 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)cc1 ZINC000852338983 1299666651 /nfs/dbraw/zinc/66/66/51/1299666651.db2.gz HRYRQHRRMRLXBF-IUODEOHRSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(F)(F)F)C2)cc1 ZINC000852340371 1299667381 /nfs/dbraw/zinc/66/73/81/1299667381.db2.gz FGWVLFZDHZAHFF-MNOVXSKESA-N 0 0 331.338 2.524 10 10 EFCERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(F)F ZINC000852361291 1299676002 /nfs/dbraw/zinc/67/60/02/1299676002.db2.gz XIKUHQXMNMKIDN-RISCZKNCSA-N 0 0 327.375 2.617 10 10 EFCERN COCCN(CCF)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000852384988 1299684049 /nfs/dbraw/zinc/68/40/49/1299684049.db2.gz JWPNILLDRNAPAV-HNNXBMFYSA-N 0 0 339.455 2.620 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)CC(F)F)C2)cc1 ZINC000852392193 1299688311 /nfs/dbraw/zinc/68/83/11/1299688311.db2.gz IUKNOIMNZNELEN-CHWSQXEVSA-N 0 0 341.402 2.864 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CCC4)C3)C2)cc1 ZINC000852451617 1299709124 /nfs/dbraw/zinc/70/91/24/1299709124.db2.gz OPOIBWCARBBGTA-OAHLLOKOSA-N 0 0 329.444 2.860 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCSC[C@H](C)C3)C2)cc1 ZINC000852451406 1299709466 /nfs/dbraw/zinc/70/94/66/1299709466.db2.gz JZXPNBUNVFOKAN-CABCVRRESA-N 0 0 349.500 2.668 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]3CSC)C2)cc1 ZINC000852455211 1299710601 /nfs/dbraw/zinc/71/06/01/1299710601.db2.gz SJQKTWHFIPTURG-ZBFHGGJFSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@H](F)C3)C2)cc1 ZINC000852456476 1299710689 /nfs/dbraw/zinc/71/06/89/1299710689.db2.gz YITIEMMTBJPKRV-GRDNDAEWSA-N 0 0 335.423 2.663 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](C4CC4)C3)C2)cc1 ZINC000852454047 1299710828 /nfs/dbraw/zinc/71/08/28/1299710828.db2.gz NGPGIGRXPIOXQE-JKSUJKDBSA-N 0 0 329.444 2.715 10 10 EFCERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCS1 ZINC000852454493 1299711117 /nfs/dbraw/zinc/71/11/17/1299711117.db2.gz PFLCXIUCKUPXNC-RHSMWYFYSA-N 0 0 349.500 2.811 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852532426 1299740924 /nfs/dbraw/zinc/74/09/24/1299740924.db2.gz HTGCJJOSKLNYLB-INIZCTEOSA-N 0 0 335.467 2.783 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000852577141 1299765577 /nfs/dbraw/zinc/76/55/77/1299765577.db2.gz PLKXWXWEYFULBN-OCCSQVGLSA-N 0 0 346.761 2.659 10 10 EFCERN CC(C)(C)O[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000853088774 1300004125 /nfs/dbraw/zinc/00/41/25/1300004125.db2.gz JLSMANILUMEEEW-HDJSIYSDSA-N 0 0 332.400 2.503 10 10 EFCERN OCc1cc(NCc2ccc(N3CCSCC3)cc2)ncc1F ZINC000853189217 1300041381 /nfs/dbraw/zinc/04/13/81/1300041381.db2.gz MMYIWKKAJPYOGI-UHFFFAOYSA-N 0 0 333.432 2.878 10 10 EFCERN C[C@H](Nc1cc(CO)c(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000853233899 1300059235 /nfs/dbraw/zinc/05/92/35/1300059235.db2.gz VOFXOUPLCSXFEV-ZDUSSCGKSA-N 0 0 331.391 2.723 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000853244340 1300064645 /nfs/dbraw/zinc/06/46/45/1300064645.db2.gz IMVRHKQURQRUMJ-ZWKOTPCHSA-N 0 0 325.412 2.730 10 10 EFCERN COCC1(C2CCC2)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000853244420 1300064673 /nfs/dbraw/zinc/06/46/73/1300064673.db2.gz LWZRVFHEEDGEAI-UHFFFAOYSA-N 0 0 331.460 2.711 10 10 EFCERN C[C@@H](O)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000853244478 1300065030 /nfs/dbraw/zinc/06/50/30/1300065030.db2.gz MNEPSFPWJPKMHU-KDOFPFPSSA-N 0 0 327.428 2.674 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NCC1CCC(O)CC1 ZINC000853411886 1300107922 /nfs/dbraw/zinc/10/79/22/1300107922.db2.gz OZTHFCMNODGFRF-UHFFFAOYSA-N 0 0 331.460 2.637 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC2CCC(O)CC2)cc1 ZINC000853457010 1300122401 /nfs/dbraw/zinc/12/24/01/1300122401.db2.gz RIMBFPMAGFGHHC-UHFFFAOYSA-N 0 0 333.476 2.883 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000853749103 1300256476 /nfs/dbraw/zinc/25/64/76/1300256476.db2.gz MQUGVFAPDALZOX-IBGZPJMESA-N 0 0 331.460 2.508 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000853758340 1300261328 /nfs/dbraw/zinc/26/13/28/1300261328.db2.gz CLJPKIZIIZCNTM-CQSZACIVSA-N 0 0 346.452 2.790 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)cc1 ZINC000853759911 1300261769 /nfs/dbraw/zinc/26/17/69/1300261769.db2.gz DMJWYJFNHKOZIE-CYBMUJFWSA-N 0 0 328.372 2.876 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3cc(NC4CC4)ncn3)C2)cc1 ZINC000853759979 1300261854 /nfs/dbraw/zinc/26/18/54/1300261854.db2.gz GFSSSBYHMBQOCY-CQSZACIVSA-N 0 0 325.416 2.750 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC000853759470 1300262091 /nfs/dbraw/zinc/26/20/91/1300262091.db2.gz UZZWVIVIBWNEIT-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)cc1 ZINC000853760904 1300264196 /nfs/dbraw/zinc/26/41/96/1300264196.db2.gz NUSIYONFIUTLTI-LLVKDONJSA-N 0 0 348.790 2.765 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC000853762014 1300264986 /nfs/dbraw/zinc/26/49/86/1300264986.db2.gz XUCWQTSISFUXQG-NSHDSACASA-N 0 0 332.335 2.828 10 10 EFCERN CSc1cnc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000853955086 1300362436 /nfs/dbraw/zinc/36/24/36/1300362436.db2.gz CYVZDEORTBEDBM-UHFFFAOYSA-N 0 0 330.457 2.772 10 10 EFCERN C[C@H](NC(=O)N1CCC[C@](O)(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000854002997 1300385298 /nfs/dbraw/zinc/38/52/98/1300385298.db2.gz FCXNXVJSRNMRTN-IFXJQAMLSA-N 0 0 331.460 2.760 10 10 EFCERN Cc1cc(Cc2nc(CS(C)(=O)=O)no2)c(C)n1-c1ccccc1 ZINC000854016913 1300390370 /nfs/dbraw/zinc/39/03/70/1300390370.db2.gz AXHIEUMVRDIJAJ-UHFFFAOYSA-N 0 0 345.424 2.613 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000854198855 1300468323 /nfs/dbraw/zinc/46/83/23/1300468323.db2.gz RMRQJGPNYOUJEV-QAPCUYQASA-N 0 0 332.444 2.549 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3nc(C)cs3)CC2)cc1 ZINC000854197967 1300468561 /nfs/dbraw/zinc/46/85/61/1300468561.db2.gz AQXYPYXCMWWQFK-CQSZACIVSA-N 0 0 345.468 2.912 10 10 EFCERN COc1ccc(N2CCC([NH2+]C[C@@H](C(=O)[O-])C3CCC3)CC2)cc1 ZINC000854247736 1300486623 /nfs/dbraw/zinc/48/66/23/1300486623.db2.gz HSJBGBPEJTWUAT-GOSISDBHSA-N 0 0 332.444 2.755 10 10 EFCERN COC1(C(=O)NCc2ccc(N(C)C)cc2)CCC(F)(F)CC1 ZINC000854271505 1300497814 /nfs/dbraw/zinc/49/78/14/1300497814.db2.gz JVERJACEIBDGHT-UHFFFAOYSA-N 0 0 326.387 2.963 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)=C[C@@H](C)C3)C2)cc1 ZINC000854296618 1300504888 /nfs/dbraw/zinc/50/48/88/1300504888.db2.gz FIAKKQMEQQOLIX-GDBMZVCRSA-N 0 0 329.444 2.882 10 10 EFCERN COC(=O)/C=C/c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000854324803 1300520557 /nfs/dbraw/zinc/52/05/57/1300520557.db2.gz PUBSFVASQKXBRI-ZRDIBKRKSA-N 0 0 342.395 2.804 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CCC34COC4)c2C)cc1 ZINC000854837976 1300707464 /nfs/dbraw/zinc/70/74/64/1300707464.db2.gz ZSOWQTLHSDGOEX-UHFFFAOYSA-N 0 0 326.396 2.718 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](OC)C3CCCC3)C2)cc1 ZINC000854981237 1300755518 /nfs/dbraw/zinc/75/55/18/1300755518.db2.gz MGPYKCJFSKVCLM-DNVCBOLYSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(SC)n3)C2)cc1 ZINC000855222922 1300844841 /nfs/dbraw/zinc/84/48/41/1300844841.db2.gz DAIJZCQNVPLMSQ-ZDUSSCGKSA-N 0 0 343.452 2.821 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)C2)cc1 ZINC000855222796 1300844865 /nfs/dbraw/zinc/84/48/65/1300844865.db2.gz AMOWUYOSYVFIHK-NWDGAFQWSA-N 0 0 330.350 2.979 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3OC(C)(C)C)C2)cc1 ZINC000855223493 1300845676 /nfs/dbraw/zinc/84/56/76/1300845676.db2.gz AUPHPPCEAXWOSO-IAOVAPTHSA-N 0 0 332.444 2.594 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCCC(=O)C3)C2)cc1 ZINC000855224017 1300846523 /nfs/dbraw/zinc/84/65/23/1300846523.db2.gz DOMTVFFPWXCSGX-HOTGVXAUSA-N 0 0 344.455 2.930 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C4CC4)oc3C)C2)cc1 ZINC000855224452 1300847919 /nfs/dbraw/zinc/84/79/19/1300847919.db2.gz GGHPEWAGLYXFBH-CQSZACIVSA-N 0 0 341.411 2.878 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Cc3ccco3)C2)cc1 ZINC000855227294 1300848475 /nfs/dbraw/zinc/84/84/75/1300848475.db2.gz UYXSRTRUHLDJCX-LSDHHAIUSA-N 0 0 328.412 2.862 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000855227339 1300848511 /nfs/dbraw/zinc/84/85/11/1300848511.db2.gz VMWFNPCNIYXDJF-WBAXXEDZSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc4cccnc4[nH]3)C2)cc1 ZINC000855226747 1300848546 /nfs/dbraw/zinc/84/85/46/1300848546.db2.gz SXNUOUCPODKHAU-AWEZNQCLSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3(C)CCC(=O)CC3)C2)cc1 ZINC000855226883 1300848573 /nfs/dbraw/zinc/84/85/73/1300848573.db2.gz VFYHCCWHYZDFFA-CQSZACIVSA-N 0 0 330.428 2.540 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3Cc4ccccc4C3)C2)cc1 ZINC000855226919 1300848825 /nfs/dbraw/zinc/84/88/25/1300848825.db2.gz UQVRFTRRSRSMLB-GOSISDBHSA-N 0 0 336.435 2.805 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3nc(C)cs3)C2)cc1 ZINC000855227664 1300849343 /nfs/dbraw/zinc/84/93/43/1300849343.db2.gz ZYMURKCTLXYDDB-KBPBESRZSA-N 0 0 345.468 2.959 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COc3ccsc3)C2)cc1 ZINC000855226954 1300849670 /nfs/dbraw/zinc/84/96/70/1300849670.db2.gz VCKSXPZAVKEGTD-ZDUSSCGKSA-N 0 0 332.425 2.531 10 10 EFCERN CCc1csc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000855227505 1300849778 /nfs/dbraw/zinc/84/97/78/1300849778.db2.gz ZHVZRAIKXNZPDK-CQSZACIVSA-N 0 0 345.468 2.652 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3onc4c3CCCC4)C2)cc1 ZINC000855226673 1300849791 /nfs/dbraw/zinc/84/97/91/1300849791.db2.gz PQFZGYZVAMPNRJ-ZDUSSCGKSA-N 0 0 341.411 2.571 10 10 EFCERN CCc1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000855230115 1300850291 /nfs/dbraw/zinc/85/02/91/1300850291.db2.gz NFOOEOVVDXVPHP-LBPRGKRZSA-N 0 0 331.441 2.723 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3c(C)noc3C)C2)cc1 ZINC000855229655 1300850679 /nfs/dbraw/zinc/85/06/79/1300850679.db2.gz LDXNQLXZDVSHGR-IUODEOHRSA-N 0 0 343.427 2.799 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)c3cccnc3)C2)cc1 ZINC000855230694 1300850695 /nfs/dbraw/zinc/85/06/95/1300850695.db2.gz HZGNVFDLZOYBIL-NVXWUHKLSA-N 0 0 339.439 2.979 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000855230143 1300850776 /nfs/dbraw/zinc/85/07/76/1300850776.db2.gz TWNOAHPGOVFVFH-ZDUSSCGKSA-N 0 0 341.367 2.612 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000855229225 1300850830 /nfs/dbraw/zinc/85/08/30/1300850830.db2.gz LFVCNSAMYGGBDB-ZDUSSCGKSA-N 0 0 333.819 2.696 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)COC4)C2)cc1 ZINC000855231757 1300851984 /nfs/dbraw/zinc/85/19/84/1300851984.db2.gz YBCZRVPCGLUEGH-QGZVFWFLSA-N 0 0 338.407 2.734 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000855231855 1300852037 /nfs/dbraw/zinc/85/20/37/1300852037.db2.gz MWOVRJPTDRVECT-GFCCVEGCSA-N 0 0 347.396 2.674 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)cc1 ZINC000855231105 1300852076 /nfs/dbraw/zinc/85/20/76/1300852076.db2.gz JUIOVKDOLKLQAB-HOCLYGCPSA-N 0 0 325.412 2.589 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccncc3Cl)C2)cc1 ZINC000855231428 1300852201 /nfs/dbraw/zinc/85/22/01/1300852201.db2.gz MIYLASYNHKYJIP-LBPRGKRZSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3COc4ccccc43)C2)cc1 ZINC000855231970 1300852680 /nfs/dbraw/zinc/85/26/80/1300852680.db2.gz PELCMZLDLUHILY-KSSFIOAISA-N 0 0 338.407 2.566 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)nc3C)C2)cc1 ZINC000855231924 1300852817 /nfs/dbraw/zinc/85/28/17/1300852817.db2.gz YVBMOASHSBCMIX-HNNXBMFYSA-N 0 0 325.412 2.716 10 10 EFCERN COc1ccsc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231297 1300853365 /nfs/dbraw/zinc/85/33/65/1300853365.db2.gz VGRQRZBEASCNGN-LBPRGKRZSA-N 0 0 332.425 2.774 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000855231679 1300853584 /nfs/dbraw/zinc/85/35/84/1300853584.db2.gz KRCSTZGKYYSYMP-CQSZACIVSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000855234445 1300854758 /nfs/dbraw/zinc/85/47/58/1300854758.db2.gz ABMKJZJMVUUBAU-CYBMUJFWSA-N 0 0 331.803 2.752 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccn1 ZINC000855325236 1300914601 /nfs/dbraw/zinc/91/46/01/1300914601.db2.gz IHUAQUNAAVKVEQ-DOMZBBRYSA-N 0 0 336.399 2.516 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@@H](O)C(F)(F)C2)c(C)n1-c1ccccc1 ZINC000855449117 1300961176 /nfs/dbraw/zinc/96/11/76/1300961176.db2.gz WNYGHSZJUCBTOD-QGZVFWFLSA-N 0 0 348.393 2.865 10 10 EFCERN Cc1cc(C(=O)N2CCC[C@@](O)(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000855694958 1301060929 /nfs/dbraw/zinc/06/09/29/1301060929.db2.gz VPQHLMPRPQXGRM-FQEVSTJZSA-N 0 0 339.439 2.866 10 10 EFCERN Cc1cc(C(=O)NCCc2cncc(C)n2)c(C)n1-c1ccccn1 ZINC000855954118 1301188268 /nfs/dbraw/zinc/18/82/68/1301188268.db2.gz KOAQFXCJCXMGLG-UHFFFAOYSA-N 0 0 335.411 2.560 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@@H]2CCOC2)c1 ZINC000859263919 1301414421 /nfs/dbraw/zinc/41/44/21/1301414421.db2.gz POVRGVFBVQKJNQ-GOSISDBHSA-N 0 0 326.396 2.768 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)[C@@H](C)C2)c1 ZINC000859622257 1301510265 /nfs/dbraw/zinc/51/02/65/1301510265.db2.gz CSDVRKZWIUBHBW-HNNXBMFYSA-N 0 0 339.439 2.683 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000859765654 1301571540 /nfs/dbraw/zinc/57/15/40/1301571540.db2.gz CAWVSLHGKHRHAV-KDURUIRLSA-N 0 0 338.407 2.910 10 10 EFCERN CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccccc2O)C1 ZINC000860235045 1301749246 /nfs/dbraw/zinc/74/92/46/1301749246.db2.gz WLNCGIHSBXTONA-UHFFFAOYSA-N 0 0 334.416 2.654 10 10 EFCERN CC(=O)N1CC[C@@H](OC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000860944333 1301970374 /nfs/dbraw/zinc/97/03/74/1301970374.db2.gz XVBNOUPQWFRTOO-LJQANCHMSA-N 0 0 340.423 2.801 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2(CCO)CC2)c1 ZINC000861010124 1301988001 /nfs/dbraw/zinc/98/80/01/1301988001.db2.gz ITUIAGXWPZSDEO-UHFFFAOYSA-N 0 0 340.423 2.799 10 10 EFCERN Nc1ccc(NC(=O)C(=O)NCC2CCc3ccccc3CC2)cc1 ZINC000861508280 1302147695 /nfs/dbraw/zinc/14/76/95/1302147695.db2.gz NCWHEMIHJCGPSD-UHFFFAOYSA-N 0 0 337.423 2.519 10 10 EFCERN COCc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1OC ZINC000861631688 1302177326 /nfs/dbraw/zinc/17/73/26/1302177326.db2.gz KBCUMERPZQNELV-UHFFFAOYSA-N 0 0 346.383 2.878 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000861788968 1302209193 /nfs/dbraw/zinc/20/91/93/1302209193.db2.gz OSDQMUHTMMYMFB-GOSISDBHSA-N 0 0 340.423 2.892 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000862010133 1302265387 /nfs/dbraw/zinc/26/53/87/1302265387.db2.gz PUNRVVYLEXVWHO-GLRZTSSQSA-N 0 0 326.396 2.550 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C2)cc1 ZINC000862159728 1302301690 /nfs/dbraw/zinc/30/16/90/1302301690.db2.gz WBYSEGFANLTDBH-RYUDHWBXSA-N 0 0 330.350 2.979 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000862158404 1302301898 /nfs/dbraw/zinc/30/18/98/1302301898.db2.gz GOBRBKLKDJZLAT-NSHDSACASA-N 0 0 348.834 2.643 10 10 EFCERN Oc1cc2c(cc1CN[C@H](c1nccs1)C(F)(F)F)OCO2 ZINC000862432216 1302381933 /nfs/dbraw/zinc/38/19/33/1302381933.db2.gz VUXRTPRDOXDMAK-LLVKDONJSA-N 0 0 332.303 2.971 10 10 EFCERN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)c(C)cc1O ZINC000862516863 1302403330 /nfs/dbraw/zinc/40/33/30/1302403330.db2.gz ZZXPMYMGJSDAPE-WFASDCNBSA-N 0 0 341.835 2.802 10 10 EFCERN [O-]c1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529720 1302405838 /nfs/dbraw/zinc/40/58/38/1302405838.db2.gz YCMZUWAGUCBOBG-SWLSCSKDSA-N 0 0 326.234 2.749 10 10 EFCERN COc1cc(Br)cc(CN2CCO[C@@H](CCF)C2)c1O ZINC000862529078 1302406116 /nfs/dbraw/zinc/40/61/16/1302406116.db2.gz ALVKNQLZQVQIRS-LBPRGKRZSA-N 0 0 348.212 2.724 10 10 EFCERN COC[C@]1(C)CN(Cc2cc(Br)cc(C)c2O)CCO1 ZINC000862552006 1302412325 /nfs/dbraw/zinc/41/23/25/1302412325.db2.gz RJOBOQMKHXKTLD-HNNXBMFYSA-N 0 0 344.249 2.700 10 10 EFCERN Cc1cn(CC(=O)NCc2cc(C)ccc2O)nc1C(F)(F)F ZINC000862754009 1302449251 /nfs/dbraw/zinc/44/92/51/1302449251.db2.gz ONQQEOURXVNCOL-UHFFFAOYSA-N 0 0 327.306 2.541 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862754117 1302449650 /nfs/dbraw/zinc/44/96/50/1302449650.db2.gz RPFADUNSQUVMLQ-CQSZACIVSA-N 0 0 348.443 2.964 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000862760063 1302451706 /nfs/dbraw/zinc/45/17/06/1302451706.db2.gz KQOOUYCBUFLSPK-HOTGVXAUSA-N 0 0 339.391 2.892 10 10 EFCERN COc1ccc(N(C[C@@H](O)COC[C@H]2CCCO2)C(C)C)cc1F ZINC000246803626 1302468101 /nfs/dbraw/zinc/46/81/01/1302468101.db2.gz MYNRMRNDBRGQLI-HZPDHXFCSA-N 0 0 341.423 2.606 10 10 EFCERN Cc1cc(CNC(=O)[C@@]2(C)CCC(=O)NC2)c(C)n1-c1ccccc1 ZINC000863164340 1302544412 /nfs/dbraw/zinc/54/44/12/1302544412.db2.gz HCFNEWCCDKLGJR-FQEVSTJZSA-N 0 0 339.439 2.627 10 10 EFCERN Cc1cc(CNC(=O)CCCCC(N)=O)c(C)n1-c1ccccc1 ZINC000863164102 1302545538 /nfs/dbraw/zinc/54/55/38/1302545538.db2.gz AQDNDHGEGAKPIX-UHFFFAOYSA-N 0 0 327.428 2.756 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000863505404 1302636008 /nfs/dbraw/zinc/63/60/08/1302636008.db2.gz MZKRMCONCRJQMN-KRWDZBQOSA-N 0 0 339.395 2.716 10 10 EFCERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000863505834 1302636413 /nfs/dbraw/zinc/63/64/13/1302636413.db2.gz RNPJJRCUNUJTFO-YVEFUNNKSA-N 0 0 339.395 2.968 10 10 EFCERN O=C1[C@H]2c3ccoc3CCN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000863505371 1302636418 /nfs/dbraw/zinc/63/64/18/1302636418.db2.gz LLEBUYTXWKMAIY-GOSISDBHSA-N 0 0 349.390 2.717 10 10 EFCERN Cc1cc(CC(=O)NCCN(C)CC(F)F)c(C)n1-c1ccccc1 ZINC000863807783 1302727547 /nfs/dbraw/zinc/72/75/47/1302727547.db2.gz HIYMZSGYCTYHRS-UHFFFAOYSA-N 0 0 349.425 2.950 10 10 EFCERN COC[C@]1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC000863829050 1302737125 /nfs/dbraw/zinc/73/71/25/1302737125.db2.gz AMVLDFAIWOZLCM-FQEVSTJZSA-N 0 0 342.439 2.972 10 10 EFCERN CCO[C@@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)[C@@H]1CCOC1 ZINC000864636588 1303007797 /nfs/dbraw/zinc/00/77/97/1303007797.db2.gz OWEXBWDRRSODGQ-IEBWSBKVSA-N 0 0 348.487 2.933 10 10 EFCERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000864635089 1303008250 /nfs/dbraw/zinc/00/82/50/1303008250.db2.gz RPKQZBGEYQYLEK-MRXNPFEDSA-N 0 0 339.439 2.680 10 10 EFCERN COc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1OC ZINC000748355168 1313884615 /nfs/dbraw/zinc/88/46/15/1313884615.db2.gz UHNITPGMPZWFIE-UHFFFAOYSA-N 0 0 343.379 2.689 10 10 EFCERN CCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000120228756 1303051312 /nfs/dbraw/zinc/05/13/12/1303051312.db2.gz JPOXAYWISNUSKP-UHFFFAOYSA-N 0 0 330.340 2.971 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](C)c3ccncc3)CC2)cc1 ZINC000864949899 1303097349 /nfs/dbraw/zinc/09/73/49/1303097349.db2.gz PPHUTNAOIQQFBR-MRXNPFEDSA-N 0 0 339.439 2.933 10 10 EFCERN CCO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000865053271 1303139597 /nfs/dbraw/zinc/13/95/97/1303139597.db2.gz IWOXRHACEXDFSI-PKOBYXMFSA-N 0 0 346.471 2.517 10 10 EFCERN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C3CCOCC3)ccc21 ZINC000865052314 1303139947 /nfs/dbraw/zinc/13/99/47/1303139947.db2.gz AXEDTVJXPHOWBZ-ZWKOTPCHSA-N 0 0 328.456 2.748 10 10 EFCERN Cc1cc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)ncn1 ZINC000795525316 1303161722 /nfs/dbraw/zinc/16/17/22/1303161722.db2.gz IMHYNSMOTOMDEP-UHFFFAOYSA-N 0 0 340.408 2.772 10 10 EFCERN C[C@H](O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000865417776 1303247402 /nfs/dbraw/zinc/24/74/02/1303247402.db2.gz CNRHZDRRUXXNLR-HNNXBMFYSA-N 0 0 327.428 2.608 10 10 EFCERN C[C@@H](O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000865449789 1303261322 /nfs/dbraw/zinc/26/13/22/1303261322.db2.gz CBHZVOJYXIMELV-OAHLLOKOSA-N 0 0 341.455 2.956 10 10 EFCERN C[C@H](O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000865452402 1303264022 /nfs/dbraw/zinc/26/40/22/1303264022.db2.gz HFYVZOYGXZUKTB-ZDUSSCGKSA-N 0 0 345.418 2.847 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC001278288493 1313902509 /nfs/dbraw/zinc/90/25/09/1313902509.db2.gz LRTMRNXPASXOFP-RTBURBONSA-N 0 0 346.471 2.938 10 10 EFCERN C[N@@H+]1CCn2nc(NCc3cc(Cl)cc(Cl)c3[O-])cc2C1 ZINC000865844268 1303425580 /nfs/dbraw/zinc/42/55/80/1303425580.db2.gz HHXVAMNXZIYIIK-UHFFFAOYSA-N 0 0 327.215 2.953 10 10 EFCERN C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000865922114 1303454866 /nfs/dbraw/zinc/45/48/66/1303454866.db2.gz XKEFWIMTUZIFQB-SMDDNHRTSA-N 0 0 326.400 2.505 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000865923301 1303456172 /nfs/dbraw/zinc/45/61/72/1303456172.db2.gz MCAIPBPYURMNPR-OGOUPESXSA-N 0 0 330.262 2.922 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nnc(C2CC2)o1 ZINC000866010637 1303487803 /nfs/dbraw/zinc/48/78/03/1303487803.db2.gz YNAZGRMPGCTEAY-LBPRGKRZSA-N 0 0 328.416 2.682 10 10 EFCERN CN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000866028866 1303495275 /nfs/dbraw/zinc/49/52/75/1303495275.db2.gz JIQUJXRIJWPLKL-CKXPSTMWSA-N 0 0 348.447 2.586 10 10 EFCERN CCCOCCOC(=O)c1ccnc(N2Cc3cccc(O)c3C2)c1 ZINC000866118122 1303532900 /nfs/dbraw/zinc/53/29/00/1303532900.db2.gz WYGJXRFXHADHHZ-UHFFFAOYSA-N 0 0 342.395 2.891 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000866140769 1303541180 /nfs/dbraw/zinc/54/11/80/1303541180.db2.gz NFLCUJKYZAWBMH-WMZOPIPTSA-N 0 0 331.460 2.615 10 10 EFCERN CC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(Cl)c1[O-] ZINC000866412410 1303628032 /nfs/dbraw/zinc/62/80/32/1303628032.db2.gz IRNUPMPQIKEACZ-WFASDCNBSA-N 0 0 326.868 2.932 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc1F ZINC000866459317 1303648077 /nfs/dbraw/zinc/64/80/77/1303648077.db2.gz LCLHQAZVHPNZMB-SLBVQIDZSA-N 0 0 332.419 2.775 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(C(F)F)CCC3)CC2)cc1F ZINC000866460271 1303649538 /nfs/dbraw/zinc/64/95/38/1303649538.db2.gz UNRQDXADASEFOD-UHFFFAOYSA-N 0 0 342.361 2.918 10 10 EFCERN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1[O-] ZINC000866531346 1303674886 /nfs/dbraw/zinc/67/48/86/1303674886.db2.gz GWZYXRDDINGTED-YPMHNXCESA-N 0 0 327.371 2.907 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866538598 1303678600 /nfs/dbraw/zinc/67/86/00/1303678600.db2.gz TWPYTYYAPVQMJT-AWEZNQCLSA-N 0 0 346.443 2.998 10 10 EFCERN C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866564931 1303688725 /nfs/dbraw/zinc/68/87/25/1303688725.db2.gz FSHCGPSHHLFTAU-MRVPVSSYSA-N 0 0 326.303 2.822 10 10 EFCERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1ccccc1O ZINC000866755457 1303779888 /nfs/dbraw/zinc/77/98/88/1303779888.db2.gz JCPWQEYFGYJBRV-MRXNPFEDSA-N 0 0 325.364 2.741 10 10 EFCERN C[C@@H](COC1CCCC1)CS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690751 1303911919 /nfs/dbraw/zinc/91/19/19/1303911919.db2.gz LWIYJEBNSMMTHG-ZDUSSCGKSA-N 0 0 339.457 2.633 10 10 EFCERN COc1ccc(CCS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867833908 1303978221 /nfs/dbraw/zinc/97/82/21/1303978221.db2.gz GYXMDMMXRLQODC-ZDUSSCGKSA-N 0 0 335.425 2.624 10 10 EFCERN C[C@H](NC(=O)NCCCN1CCCCCC1=O)c1ccccc1O ZINC000867957747 1304044170 /nfs/dbraw/zinc/04/41/70/1304044170.db2.gz XKYHYVDRYMJLPI-AWEZNQCLSA-N 0 0 333.432 2.545 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC000868113349 1304133422 /nfs/dbraw/zinc/13/34/22/1304133422.db2.gz XZHDVLLEMFWQSF-CQSZACIVSA-N 0 0 327.432 2.581 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000868112887 1304133471 /nfs/dbraw/zinc/13/34/71/1304133471.db2.gz RDPUCXXCWCADPZ-BSWVEEBUSA-N 0 0 343.471 2.755 10 10 EFCERN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868188988 1304178563 /nfs/dbraw/zinc/17/85/63/1304178563.db2.gz USFMSDLBYRVTIM-AWEZNQCLSA-N 0 0 347.459 2.790 10 10 EFCERN Nc1ccc(CCNC(=O)C(=O)Nc2ccc(C3CC3)cc2F)cc1 ZINC000868246387 1304206316 /nfs/dbraw/zinc/20/63/16/1304206316.db2.gz QSEBZCSLVXVWEQ-UHFFFAOYSA-N 0 0 341.386 2.583 10 10 EFCERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCN2)c1ccccc1O ZINC000868310423 1304236153 /nfs/dbraw/zinc/23/61/53/1304236153.db2.gz SMHHSXHBMYWLFO-LBPRGKRZSA-N 0 0 339.395 2.566 10 10 EFCERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868345927 1304254116 /nfs/dbraw/zinc/25/41/16/1304254116.db2.gz UIYIDNBLBJJKOA-CFZYMWQNSA-N 0 0 338.473 2.832 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O ZINC000868413504 1304285385 /nfs/dbraw/zinc/28/53/85/1304285385.db2.gz UVWIETPCEQOJLV-BBRMVZONSA-N 0 0 345.443 2.686 10 10 EFCERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868475758 1304313469 /nfs/dbraw/zinc/31/34/69/1304313469.db2.gz BCTRNOKMLVOEKR-GFCCVEGCSA-N 0 0 330.432 2.736 10 10 EFCERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868513581 1304334118 /nfs/dbraw/zinc/33/41/18/1304334118.db2.gz HGJKCPCUSIUZCB-MJBXVCDLSA-N 0 0 349.431 2.619 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1ccnn1C ZINC000868711204 1304435249 /nfs/dbraw/zinc/43/52/49/1304435249.db2.gz QAEMPTDUCQPOHP-CABCVRRESA-N 0 0 343.475 2.786 10 10 EFCERN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868790276 1304476772 /nfs/dbraw/zinc/47/67/72/1304476772.db2.gz SCZLJEORTQHEHP-WBHUJUFNSA-N 0 0 334.416 2.874 10 10 EFCERN C[C@@H](NC(=O)NC[C@@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000868799585 1304482486 /nfs/dbraw/zinc/48/24/86/1304482486.db2.gz CYVRONWZVRMXKM-YJYMSZOUSA-N 0 0 342.395 2.983 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C3CC4(CSC4)C3)C2)cc1 ZINC000868955754 1304547701 /nfs/dbraw/zinc/54/77/01/1304547701.db2.gz FOMASOWTJSINTM-CQSZACIVSA-N 0 0 346.496 2.781 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)c3ccncc3)C2)cc1 ZINC000868955498 1304548116 /nfs/dbraw/zinc/54/81/16/1304548116.db2.gz LFCGJVVPVDFTBS-HOTGVXAUSA-N 0 0 339.439 2.836 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2cccc3c2CCOC3)c1 ZINC000868972074 1304555843 /nfs/dbraw/zinc/55/58/43/1304555843.db2.gz GJHBZLGOAMIBIN-UHFFFAOYSA-N 0 0 326.396 2.773 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCC[C@H]2CCCS2)cc1F ZINC000868977185 1304558629 /nfs/dbraw/zinc/55/86/29/1304558629.db2.gz MMUJGJBJXUCLIF-CYBMUJFWSA-N 0 0 325.453 2.977 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000869004676 1304573252 /nfs/dbraw/zinc/57/32/52/1304573252.db2.gz YDTYDKQLZRTPQM-WPKBUWHJSA-N 0 0 348.443 2.966 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC23CCOCC3)c1 ZINC000869029062 1304582092 /nfs/dbraw/zinc/58/20/92/1304582092.db2.gz TYLIUHZTHDEIPF-KBPBESRZSA-N 0 0 348.443 2.968 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1 ZINC000869089168 1304608683 /nfs/dbraw/zinc/60/86/83/1304608683.db2.gz GZFXDRRDASTFGV-AWEZNQCLSA-N 0 0 340.379 2.534 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NC[C@H]2c3ccccc3CN2C)c1 ZINC000869108084 1304617714 /nfs/dbraw/zinc/61/77/14/1304617714.db2.gz JVDVVEDEOBSNJI-KRWDZBQOSA-N 0 0 325.412 2.687 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3ccncc3)C2)cc1 ZINC000869228995 1304670707 /nfs/dbraw/zinc/67/07/07/1304670707.db2.gz QXBNIMPRXYRGLC-GOEBONIOSA-N 0 0 325.412 2.589 10 10 EFCERN CCO[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000869232168 1304672224 /nfs/dbraw/zinc/67/22/24/1304672224.db2.gz YBVVIFHSBHPKAL-VQIMIIECSA-N 0 0 346.471 2.985 10 10 EFCERN CCO[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000869232166 1304672599 /nfs/dbraw/zinc/67/25/99/1304672599.db2.gz YBVVIFHSBHPKAL-QFBILLFUSA-N 0 0 346.471 2.985 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000869885721 1305022184 /nfs/dbraw/zinc/02/21/84/1305022184.db2.gz BKIBDQIUJNYINB-BVPBIZIASA-N 0 0 344.455 2.546 10 10 EFCERN CC(=O)Nc1cccc2c1CN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000870459665 1305334616 /nfs/dbraw/zinc/33/46/16/1305334616.db2.gz GDWSORRISSXOFN-UHFFFAOYSA-N 0 0 340.379 2.563 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)c(O)c1O ZINC000870505322 1305364059 /nfs/dbraw/zinc/36/40/59/1305364059.db2.gz VGDAIKSDTNQPQD-NVXWUHKLSA-N 0 0 327.380 2.744 10 10 EFCERN CCOCCCNC(=S)NCc1cc(Br)ccc1O ZINC000795154404 1305747807 /nfs/dbraw/zinc/74/78/07/1305747807.db2.gz OQMRHGYYGDZIOF-UHFFFAOYSA-N 0 0 347.278 2.545 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000871044068 1305763853 /nfs/dbraw/zinc/76/38/53/1305763853.db2.gz DLIYBQOZBIQHGK-QLBOMPFWSA-N 0 0 331.412 2.967 10 10 EFCERN COc1ccc(C(C)=O)cc1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871199513 1305885736 /nfs/dbraw/zinc/88/57/36/1305885736.db2.gz QOPBDKGHRBSRCE-UHFFFAOYSA-N 0 0 325.364 2.688 10 10 EFCERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871200553 1305887324 /nfs/dbraw/zinc/88/73/24/1305887324.db2.gz GEMXDYDDXSCEPD-ZDUSSCGKSA-N 0 0 325.364 2.905 10 10 EFCERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200841 1305887402 /nfs/dbraw/zinc/88/74/02/1305887402.db2.gz KBPVZZYXODBSAM-OAHLLOKOSA-N 0 0 330.428 2.662 10 10 EFCERN CC(C)COC(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871200751 1305887910 /nfs/dbraw/zinc/88/79/10/1305887910.db2.gz HZYMGZNPRVQGEY-UHFFFAOYSA-N 0 0 346.427 2.739 10 10 EFCERN Cc1ccc(C)n1-c1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C ZINC000871201421 1305888312 /nfs/dbraw/zinc/88/83/12/1305888312.db2.gz VSKSNGLDRVNJMA-UHFFFAOYSA-N 0 0 336.395 2.689 10 10 EFCERN O=C(C1CCC(OC[C@H]2CCCO2)CC1)N1Cc2cccc(O)c2C1 ZINC000871204181 1305888818 /nfs/dbraw/zinc/88/88/18/1305888818.db2.gz AGRATWDKEKWQCT-BDVYOWHSSA-N 0 0 345.439 2.989 10 10 EFCERN COCCCOc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203833 1305889230 /nfs/dbraw/zinc/88/92/30/1305889230.db2.gz SNTGAOUBLPDZIF-UHFFFAOYSA-N 0 0 327.380 2.964 10 10 EFCERN O=C([C@@H]1CCN(c2ccccc2F)C1)N1Cc2cccc(O)c2C1 ZINC000871205721 1305890596 /nfs/dbraw/zinc/89/05/96/1305890596.db2.gz XKSBFSCJEJJVIG-CQSZACIVSA-N 0 0 326.371 2.900 10 10 EFCERN CCOc1cccnc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000748853854 1314164009 /nfs/dbraw/zinc/16/40/09/1314164009.db2.gz ZVMXHSFHKXEZJY-UHFFFAOYSA-N 0 0 326.396 2.995 10 10 EFCERN CCc1nc(C)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000900026920 1307613226 /nfs/dbraw/zinc/61/32/26/1307613226.db2.gz PAORFMMQGRISHM-UHFFFAOYSA-N 0 0 340.471 2.923 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2ccn3nccc3n2)C2CC2)cc1 ZINC000900123661 1307688472 /nfs/dbraw/zinc/68/84/72/1307688472.db2.gz HJNKBDDCYWCMNJ-UHFFFAOYSA-N 0 0 335.411 2.600 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2nnc(C3CC3)o2)C2CC2)cc1 ZINC000900123573 1307688774 /nfs/dbraw/zinc/68/87/74/1307688774.db2.gz GAZMFPKVEMTGEI-UHFFFAOYSA-N 0 0 326.400 2.818 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC(C2CCOCC2)C1 ZINC000800712657 1308283636 /nfs/dbraw/zinc/28/36/36/1308283636.db2.gz SBZMDXSUABEIDG-UHFFFAOYSA-N 0 0 341.502 2.693 10 10 EFCERN Cc1cc(COCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000800831303 1308505737 /nfs/dbraw/zinc/50/57/37/1308505737.db2.gz SQJKOAXKHUDPNM-UHFFFAOYSA-N 0 0 343.427 2.757 10 10 EFCERN O=C([C@H]1C[C@@H]1C(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000801177399 1309334924 /nfs/dbraw/zinc/33/49/24/1309334924.db2.gz RHNLLNFCZYHUAE-RDBSUJKOSA-N 0 0 325.355 2.801 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000901126616 1309540449 /nfs/dbraw/zinc/54/04/49/1309540449.db2.gz DTVJCPYGKXZWII-ZQGRQUNCSA-N 0 0 341.407 2.671 10 10 EFCERN CCc1nc(C)c(CC(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC000901127094 1309542225 /nfs/dbraw/zinc/54/22/25/1309542225.db2.gz HOFYUNKYUMJXDD-CYBMUJFWSA-N 0 0 343.427 2.790 10 10 EFCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccc(O)c(O)c1 ZINC000901132642 1309566243 /nfs/dbraw/zinc/56/62/43/1309566243.db2.gz TVLPAUAUPWZTOP-NSHDSACASA-N 0 0 331.393 2.611 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)O ZINC000901332038 1310162305 /nfs/dbraw/zinc/16/23/05/1310162305.db2.gz ZXAQMBBPVVNBIG-KSSFIOAISA-N 0 0 343.423 2.614 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2ccncc2N(C)C)cc1 ZINC000801924433 1311103556 /nfs/dbraw/zinc/10/35/56/1311103556.db2.gz PFTZSZFRHAJEAP-UHFFFAOYSA-N 0 0 341.459 2.737 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](OC(F)F)C1 ZINC000801992802 1311190789 /nfs/dbraw/zinc/19/07/89/1311190789.db2.gz CUMBVYOCOBFMHB-HNNXBMFYSA-N 0 0 339.386 2.810 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2(CCO)CCCCC2)cc1F ZINC000802060894 1311287365 /nfs/dbraw/zinc/28/73/65/1311287365.db2.gz PBBLIPKEHGOIBE-UHFFFAOYSA-N 0 0 337.439 2.776 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cnc(-c2ccccn2)nc1 ZINC001159041345 1311439595 /nfs/dbraw/zinc/43/95/95/1311439595.db2.gz JECHVADRXNPUIQ-UHFFFAOYSA-N 0 0 340.770 2.828 10 10 EFCERN CCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000802367862 1311599635 /nfs/dbraw/zinc/59/96/35/1311599635.db2.gz ONXQBZTUVXZAHV-KRWDZBQOSA-N 0 0 343.402 2.584 10 10 EFCERN O=C(N[C@H]1COc2cc(F)cc(F)c21)N1Cc2cccc(O)c2C1 ZINC001226113372 1311615192 /nfs/dbraw/zinc/61/51/92/1311615192.db2.gz XBHNQJUBYLXMEL-ZDUSSCGKSA-N 0 0 332.306 2.829 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802659907 1311894991 /nfs/dbraw/zinc/89/49/91/1311894991.db2.gz PGUHHKIOLMJBLN-BDJLRTHQSA-N 0 0 343.826 2.842 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1nnn(C)c1C ZINC001161715306 1311957883 /nfs/dbraw/zinc/95/78/83/1311957883.db2.gz IZJBEYNBNDLLMI-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN O=C(NC[C@H](O)c1ccccc1Br)C1=CC(=O)CS1 ZINC001161733031 1311961588 /nfs/dbraw/zinc/96/15/88/1311961588.db2.gz HZXISHKJEPSICH-NSHDSACASA-N 0 0 342.214 2.680 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000802781811 1312016929 /nfs/dbraw/zinc/01/69/29/1312016929.db2.gz HCULZPVPJITCQD-VIFPVBQESA-N 0 0 332.312 2.506 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ncsc1Nc1cccnc1 ZINC001162278833 1312079244 /nfs/dbraw/zinc/07/92/44/1312079244.db2.gz NMQVTQLESDXESL-UHFFFAOYSA-N 0 0 342.380 2.623 10 10 EFCERN CCOC(=O)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001162277671 1312079256 /nfs/dbraw/zinc/07/92/56/1312079256.db2.gz BCGDCAQFVFTJLC-UHFFFAOYSA-N 0 0 331.324 2.563 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001162612034 1312135885 /nfs/dbraw/zinc/13/58/85/1312135885.db2.gz ACOHNCUTRXFVED-ZWKOTPCHSA-N 0 0 348.402 2.987 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001162612032 1312135894 /nfs/dbraw/zinc/13/58/94/1312135894.db2.gz ACOHNCUTRXFVED-QZTJIDSGSA-N 0 0 348.402 2.987 10 10 EFCERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC001163100207 1312241070 /nfs/dbraw/zinc/24/10/70/1312241070.db2.gz WQPLXECIGQINDV-NSHDSACASA-N 0 0 328.372 2.933 10 10 EFCERN COc1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000803090212 1312263721 /nfs/dbraw/zinc/26/37/21/1312263721.db2.gz XGOVZFVFFIYDFV-SECBINFHSA-N 0 0 336.775 2.516 10 10 EFCERN C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1c([O-])cccc1F ZINC000903149810 1312411748 /nfs/dbraw/zinc/41/17/48/1312411748.db2.gz JPEBGAUMHXYREA-PNESKVBLSA-N 0 0 329.437 2.785 10 10 EFCERN O=S(=O)(c1ccc(N2Cc3cccc(O)c3C2)cc1)C(F)F ZINC001163966313 1312416335 /nfs/dbraw/zinc/41/63/35/1312416335.db2.gz AXQHYQYLSCADGB-UHFFFAOYSA-N 0 0 325.336 2.909 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903178114 1312434375 /nfs/dbraw/zinc/43/43/75/1312434375.db2.gz CJARAKQVJMTCFS-DRCTWCGVSA-N 0 0 347.333 2.939 10 10 EFCERN Cc1c(NC(=O)c2cccc(O)c2O)cnn1-c1ccc(F)cc1 ZINC001164548289 1312537451 /nfs/dbraw/zinc/53/74/51/1312537451.db2.gz DXKJLMAKJZOEBL-UHFFFAOYSA-N 0 0 327.315 2.983 10 10 EFCERN C[C@H](O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1F ZINC001164553643 1312538081 /nfs/dbraw/zinc/53/80/81/1312538081.db2.gz DVAZOLFRHZRDPI-BONVTDFDSA-N 0 0 344.346 2.840 10 10 EFCERN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327720 1312573565 /nfs/dbraw/zinc/57/35/65/1312573565.db2.gz XWESYVIXLWKTRV-MEDUHNTESA-N 0 0 327.384 2.771 10 10 EFCERN COc1ccc(N2CCN(Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000179943011 1314721501 /nfs/dbraw/zinc/72/15/01/1314721501.db2.gz GZKFGTYGPNELJH-UHFFFAOYSA-N 0 0 328.412 2.732 10 10 EFCERN CN(C)c1ccc(C=CC(=O)Nc2n[nH]cc2Br)cc1 ZINC000312809136 1315322458 /nfs/dbraw/zinc/32/24/58/1315322458.db2.gz JSMYCMJXNQYCLV-VMPITWQZSA-N 0 0 335.205 2.890 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CSc2ccccc2O1 ZINC001252325906 1315435787 /nfs/dbraw/zinc/43/57/87/1315435787.db2.gz YBVAJZXQHLTHPQ-LLVKDONJSA-N 0 0 348.399 2.884 10 10 EFCERN Cc1cc(CNC(=O)NCC[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001254074329 1315671098 /nfs/dbraw/zinc/67/10/98/1315671098.db2.gz OVBSUGDDPSRGAI-OAHLLOKOSA-N 0 0 329.444 2.973 10 10 EFCERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(O)cc1O ZINC001299573930 1316230341 /nfs/dbraw/zinc/23/03/41/1316230341.db2.gz LOEWMLAOTQHDCR-VIFPVBQESA-N 0 0 339.750 2.974 10 10 EFCERN O=C(CSCc1cccnc1)NCc1ccc2cccnc2c1O ZINC001299722104 1316378088 /nfs/dbraw/zinc/37/80/88/1316378088.db2.gz YWLDYKGZSHYHSN-UHFFFAOYSA-N 0 0 339.420 2.885 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](CC(=O)[O-])C2CCOCC2)cc1 ZINC001262163549 1316450678 /nfs/dbraw/zinc/45/06/78/1316450678.db2.gz XCEZGXRMGMZGRB-WHLIDYPQSA-N 0 0 332.444 2.625 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001263702915 1316556955 /nfs/dbraw/zinc/55/69/55/1316556955.db2.gz BUQORYYGFFLYNV-IEBWSBKVSA-N 0 0 343.471 2.997 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cccc(O)c3)C2)cc1 ZINC001263861404 1316569641 /nfs/dbraw/zinc/56/96/41/1316569641.db2.gz ZRDPNVISDWSAMD-MRXNPFEDSA-N 0 0 340.423 2.729 10 10 EFCERN CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280189003 1317473077 /nfs/dbraw/zinc/47/30/77/1317473077.db2.gz FPXVWMVDICDPMG-RYUDHWBXSA-N 0 0 347.419 2.662 10 10 EFCERN CC(=O)NCCCCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282237524 1318795274 /nfs/dbraw/zinc/79/52/74/1318795274.db2.gz YKNLTARRMKNGTC-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCC(C)(C)O ZINC001287180680 1321417849 /nfs/dbraw/zinc/41/78/49/1321417849.db2.gz CLIYRCWEGHFTAC-UHFFFAOYSA-N 0 0 332.448 2.905 10 10 EFCERN O=C(NCCCC(F)F)NCc1cc(Br)ccc1O ZINC001333544218 1321739372 /nfs/dbraw/zinc/73/93/72/1321739372.db2.gz FMCNADIFFAYYTP-UHFFFAOYSA-N 0 0 337.164 2.999 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC001290108376 1321878283 /nfs/dbraw/zinc/87/82/83/1321878283.db2.gz KQYRNFCYOIINGA-UHFFFAOYSA-N 0 0 326.312 2.873 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001290374811 1321905620 /nfs/dbraw/zinc/90/56/20/1321905620.db2.gz OAHNKLKYCODWPT-QZTJIDSGSA-N 0 0 338.455 2.782 10 10 EFCERN CN(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001290630595 1321938034 /nfs/dbraw/zinc/93/80/34/1321938034.db2.gz WRUPQCGNSURIPM-FMIVXFBMSA-N 0 0 338.429 2.505 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCO[C@H]1C(C)C ZINC001290719730 1321944472 /nfs/dbraw/zinc/94/44/72/1321944472.db2.gz YGSAPTZUTHHLOG-AEFFLSMTSA-N 0 0 344.459 2.990 10 10 EFCERN CC[C@@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001291369631 1321978856 /nfs/dbraw/zinc/97/88/56/1321978856.db2.gz JZRDWNPTECIBFJ-GOSISDBHSA-N 0 0 330.432 2.659 10 10 EFCERN CCOC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001291849438 1322018059 /nfs/dbraw/zinc/01/80/59/1322018059.db2.gz HTPNHAFKHTUDIA-IAGOWNOFSA-N 0 0 332.444 2.689 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(C3CC3)[nH]c2=O)cc1F ZINC001292283032 1322051526 /nfs/dbraw/zinc/05/15/26/1322051526.db2.gz RYVITBJKFJTBQN-UHFFFAOYSA-N 0 0 329.375 2.800 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccco1)CC(F)(F)F ZINC001292292702 1322052773 /nfs/dbraw/zinc/05/27/73/1322052773.db2.gz NBJAKGQUWVQNEF-UHFFFAOYSA-N 0 0 329.274 2.824 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001292405316 1322066710 /nfs/dbraw/zinc/06/67/10/1322066710.db2.gz JIHKDHHFLBTNTL-IEBWSBKVSA-N 0 0 345.370 2.816 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cncc(C=O)c2)cc1F ZINC001293224874 1322211323 /nfs/dbraw/zinc/21/13/23/1322211323.db2.gz HPMBOWXAKFHBEU-UHFFFAOYSA-N 0 0 329.375 2.809 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1c(F)cccc1-n1cccn1 ZINC001294673384 1322541766 /nfs/dbraw/zinc/54/17/66/1322541766.db2.gz GKJYLNWWMSGVHU-UHFFFAOYSA-N 0 0 325.343 2.989 10 10 EFCERN Cn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1-c1ccc(F)cc1 ZINC001294868170 1322586290 /nfs/dbraw/zinc/58/62/90/1322586290.db2.gz AARJNRXJXZWVRP-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN O=C(NCc1ccn2ccnc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001294906135 1322595122 /nfs/dbraw/zinc/59/51/22/1322595122.db2.gz UYZMGRDOMGWOAP-UHFFFAOYSA-N 0 0 339.376 2.890 10 10 EFCERN O=C(Cc1nsc2ccccc12)NCCc1ccc(O)c(O)c1 ZINC001294908535 1322595700 /nfs/dbraw/zinc/59/57/00/1322595700.db2.gz GAQQUEDBUOVSRG-UHFFFAOYSA-N 0 0 328.393 2.609 10 10 EFCERN COc1cccc(CNC(=O)c2oc(=O)c3ccccc3c2C)c1O ZINC001294925572 1322600432 /nfs/dbraw/zinc/60/04/32/1322600432.db2.gz PBHBPDRNOZJWIJ-UHFFFAOYSA-N 0 0 339.347 2.746 10 10 EFCERN Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294954708 1322608381 /nfs/dbraw/zinc/60/83/81/1322608381.db2.gz WGPIMBJFXIMFNY-OAHLLOKOSA-N 0 0 340.387 2.868 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3N)CC2)cc1 ZINC001295275437 1322669940 /nfs/dbraw/zinc/66/99/40/1322669940.db2.gz SIWUQBUUTWYXND-UHFFFAOYSA-N 0 0 343.402 2.769 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001295406401 1322695469 /nfs/dbraw/zinc/69/54/69/1322695469.db2.gz TZLSVIVAYJUUNK-AETAKHFUSA-N 0 0 333.428 2.571 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC001295526544 1322717952 /nfs/dbraw/zinc/71/79/52/1322717952.db2.gz QGBHOCMTPGMOFP-WEVVVXLNSA-N 0 0 325.364 2.673 10 10 EFCERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1O ZINC001295728847 1322761493 /nfs/dbraw/zinc/76/14/93/1322761493.db2.gz CYAUUTZXMAVTME-KBPBESRZSA-N 0 0 332.404 2.718 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001295793195 1322781060 /nfs/dbraw/zinc/78/10/60/1322781060.db2.gz KKIWNVIULULWGA-ORAYPTAESA-N 0 0 340.423 2.750 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2cc(Cl)ccn21 ZINC001296247875 1322873204 /nfs/dbraw/zinc/87/32/04/1322873204.db2.gz YUKMVGOTMYVBRV-SNVBAGLBSA-N 0 0 345.786 2.760 10 10 EFCERN C[C@@H](NC(=O)c1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC001296648452 1322965705 /nfs/dbraw/zinc/96/57/05/1322965705.db2.gz KYECSHPEENVFPC-LLVKDONJSA-N 0 0 326.356 2.887 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCC(F)(F)Br)cc1 ZINC001297555855 1323270097 /nfs/dbraw/zinc/27/00/97/1323270097.db2.gz HNGLZGIQEASSDG-UHFFFAOYSA-N 0 0 335.108 2.567 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCCSc1ccccn1 ZINC001297661011 1323310860 /nfs/dbraw/zinc/31/08/60/1323310860.db2.gz HWPIWVIIRYJNBJ-VURMDHGXSA-N 0 0 330.409 2.805 10 10 EFCERN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298388895 1323509712 /nfs/dbraw/zinc/50/97/12/1323509712.db2.gz PRKIREHZXLGXMM-JTQLQIEISA-N 0 0 346.309 2.936 10 10 EFCERN CC1=CC(C(=O)Nc2ccc(-c3ncco3)cc2C)=S=C1C=O ZINC001298475888 1323543619 /nfs/dbraw/zinc/54/36/19/1323543619.db2.gz WMRDYMPDBCLRRN-UHFFFAOYSA-N 0 0 326.377 2.825 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2Cc3cncnc3C2)c1 ZINC001298575295 1323569196 /nfs/dbraw/zinc/56/91/96/1323569196.db2.gz NGFKHNCSYNHSBM-UHFFFAOYSA-N 0 0 346.390 2.853 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC001298710884 1323594030 /nfs/dbraw/zinc/59/40/30/1323594030.db2.gz DCYTZYBUXBGHAJ-FQEVSTJZSA-N 0 0 339.391 2.637 10 10 EFCERN Cn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1C=O ZINC001298829260 1323617137 /nfs/dbraw/zinc/61/71/37/1323617137.db2.gz CJSLJDVVRWJMPF-UHFFFAOYSA-N 0 0 345.362 2.800 10 10 EFCERN CCCC[C@@H](O)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001299769593 1323706299 /nfs/dbraw/zinc/70/62/99/1323706299.db2.gz SGTJITNOIIWFLV-SJLPKXTDSA-N 0 0 348.487 2.969 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001299830545 1323708452 /nfs/dbraw/zinc/70/84/52/1323708452.db2.gz UOUVLSDQSBXDFI-ZZXKWVIFSA-N 0 0 349.289 2.749 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2csc(-c3ncccn3)n2)c1 ZINC001301046726 1324520195 /nfs/dbraw/zinc/52/01/95/1324520195.db2.gz ITEHQZSFXVFIDD-UHFFFAOYSA-N 0 0 326.381 2.544 10 10 EFCERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1OC(F)F ZINC001301132798 1324524276 /nfs/dbraw/zinc/52/42/76/1324524276.db2.gz LYOSONBQJIVKMS-UHFFFAOYSA-N 0 0 339.294 2.889 10 10 EFCERN CC(=O)N/C(=C/c1cccs1)C(=O)N[C@@H](C)c1ccccc1O ZINC001302538144 1324580065 /nfs/dbraw/zinc/58/00/65/1324580065.db2.gz IILRFVSDBOJTMY-KBVGCWLLSA-N 0 0 330.409 2.808 10 10 EFCERN COc1ccc2cc(C(=O)NCc3cccc(O)c3O)c(C)nc2c1 ZINC001303192784 1324596569 /nfs/dbraw/zinc/59/65/69/1324596569.db2.gz ABIMEQRDRJDRHT-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN CN(C)[C@H](C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001303195300 1324596776 /nfs/dbraw/zinc/59/67/76/1324596776.db2.gz SWPVEDFDIZNBGY-HNNXBMFYSA-N 0 0 334.803 2.670 10 10 EFCERN CCOc1cc(/C=C\C(=O)NCc2cc(O)ccc2O)ccc1O ZINC001303225416 1324599059 /nfs/dbraw/zinc/59/90/59/1324599059.db2.gz HRZYZVQFFZWPTF-YWEYNIOJSA-N 0 0 329.352 2.532 10 10 EFCERN COc1ccc(C(=O)C[C@@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001303225913 1324599091 /nfs/dbraw/zinc/59/90/91/1324599091.db2.gz RVDGTTNCZDFASM-GFCCVEGCSA-N 0 0 343.379 2.632 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001303225893 1324599241 /nfs/dbraw/zinc/59/92/41/1324599241.db2.gz QYAWJFHPPPGBMV-UHFFFAOYSA-N 0 0 336.347 2.587 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(c2cnc3ccccc3n2)C1 ZINC001303228859 1324599281 /nfs/dbraw/zinc/59/92/81/1324599281.db2.gz MTARHFYWYMLHFC-VURMDHGXSA-N 0 0 347.374 2.680 10 10 EFCERN Cc1nc2c(cccc2CCNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC001303392588 1324604528 /nfs/dbraw/zinc/60/45/28/1324604528.db2.gz APUDFPKCPSNHRC-VURMDHGXSA-N 0 0 338.363 2.920 10 10 EFCERN COC(=O)N1CC(C)(NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001303666431 1324616182 /nfs/dbraw/zinc/61/61/82/1324616182.db2.gz IRUBTBWEWDHBSN-UHFFFAOYSA-N 0 0 347.440 2.726 10 10 EFCERN Cc1nnc(COCC(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001304090679 1324637241 /nfs/dbraw/zinc/63/72/41/1324637241.db2.gz NMZQYTSVWRFAPN-UHFFFAOYSA-N 0 0 343.408 2.538 10 10 EFCERN CC(C)(C)CC(=O)NCC(=O)NCc1c(O)ccc2ccccc21 ZINC001304089573 1324637314 /nfs/dbraw/zinc/63/73/14/1324637314.db2.gz BVQDZWJCKOJURO-UHFFFAOYSA-N 0 0 328.412 2.714 10 10 EFCERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC001305069290 1324671602 /nfs/dbraw/zinc/67/16/02/1324671602.db2.gz BMALPFYTZQEFJY-QFYYESIMSA-N 0 0 333.771 2.890 10 10 EFCERN COC(=O)/C=C/c1ccc(C(=O)NCc2cccc(Cl)c2O)o1 ZINC001305083742 1324673029 /nfs/dbraw/zinc/67/30/29/1324673029.db2.gz BHVKPFGAWGWGAS-SOFGYWHQSA-N 0 0 335.743 2.755 10 10 EFCERN CCC(C)(C)C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386638 1324676960 /nfs/dbraw/zinc/67/69/60/1324676960.db2.gz BBEHJZIHPHNDJV-AWEZNQCLSA-N 0 0 332.444 2.706 10 10 EFCERN CCc1nnc(N2CCSCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306225981 1324704029 /nfs/dbraw/zinc/70/40/29/1324704029.db2.gz VAEIFTUFOSHHDJ-UHFFFAOYSA-N 0 0 349.479 2.647 10 10 EFCERN COc1ccc(C[C@@H]2CCN2C(=O)c2c(F)ccc(O)c2O)cc1 ZINC001306694945 1324718375 /nfs/dbraw/zinc/71/83/75/1324718375.db2.gz BGRIISBUXHSCOG-LBPRGKRZSA-N 0 0 331.343 2.703 10 10 EFCERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccccc3O)c2c1 ZINC001306947932 1324734696 /nfs/dbraw/zinc/73/46/96/1324734696.db2.gz YORZNNNYFLADFR-UHFFFAOYSA-N 0 0 325.324 2.891 10 10 EFCERN CCCCCN(CCO)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001306989836 1324736726 /nfs/dbraw/zinc/73/67/26/1324736726.db2.gz HNZUZMAKKPKCRO-VQHVLOKHSA-N 0 0 336.388 2.770 10 10 EFCERN Cc1ccc(O)c(CNc2ncnc3c2c(Br)nn3C)c1 ZINC001307169176 1324746825 /nfs/dbraw/zinc/74/68/25/1324746825.db2.gz JDOWABPLZMDTOT-UHFFFAOYSA-N 0 0 348.204 2.752 10 10 EFCERN O=C1CCc2cc([N+](=O)[O-])c(N3Cc4cccc(O)c4C3)cc2N1 ZINC001307192719 1324748389 /nfs/dbraw/zinc/74/83/89/1324748389.db2.gz DTSFLMIFXNIAFT-UHFFFAOYSA-N 0 0 325.324 2.705 10 10 EFCERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1O ZINC001307187776 1324748598 /nfs/dbraw/zinc/74/85/98/1324748598.db2.gz AVWCDXMWFVZBSX-JTQLQIEISA-N 0 0 336.369 2.877 10 10 EFCERN COc1cccc([C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C(=O)[O-])c1 ZINC000901753250 1324755307 /nfs/dbraw/zinc/75/53/07/1324755307.db2.gz BSANAIQIGYJDGJ-KRWDZBQOSA-N 0 0 332.375 2.816 10 10 EFCERN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752597785 1324760346 /nfs/dbraw/zinc/76/03/46/1324760346.db2.gz ZKOCBOLKDNSKAL-ZRDIBKRKSA-N 0 0 342.351 2.768 10 10 EFCERN CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000901919298 1324760841 /nfs/dbraw/zinc/76/08/41/1324760841.db2.gz POABACVUDLJYDM-SJORKVTESA-N 0 0 346.452 2.716 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000753023186 1324773655 /nfs/dbraw/zinc/77/36/55/1324773655.db2.gz PDUYJTUNBUNWNA-WMADIVHISA-N 0 0 334.372 2.785 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001307673017 1324776799 /nfs/dbraw/zinc/77/67/99/1324776799.db2.gz RYKMYHLRQMBVLF-UHFFFAOYSA-N 0 0 348.330 2.922 10 10 EFCERN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C(=O)[O-])oc3C)C2)cc1 ZINC000902378057 1324779826 /nfs/dbraw/zinc/77/98/26/1324779826.db2.gz KRJYONXHYVOFGB-AWEZNQCLSA-N 0 0 344.411 2.911 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000904014343 1324860433 /nfs/dbraw/zinc/86/04/33/1324860433.db2.gz QASVLBRXFXUXEV-WLMCBFPDSA-N 0 0 348.443 2.540 10 10 EFCERN COC1(C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])CCC1 ZINC000904020189 1324860991 /nfs/dbraw/zinc/86/09/91/1324860991.db2.gz FGWSXGBPFSTDSJ-YXMMZVCTSA-N 0 0 332.444 2.768 10 10 EFCERN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])C2(OC)CCC2)cc1F ZINC000904049971 1324861628 /nfs/dbraw/zinc/86/16/28/1324861628.db2.gz JONKJGUFXPTKHV-INIZCTEOSA-N 0 0 338.423 2.784 10 10 EFCERN CCC[C@@H](O)CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001312885513 1324998691 /nfs/dbraw/zinc/99/86/91/1324998691.db2.gz QGCORDNVHMNJQY-MAUKXSAKSA-N 0 0 335.492 2.842 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)C(F)(F)C1CCOCC1 ZINC001325345575 1329681490 /nfs/dbraw/zinc/68/14/90/1329681490.db2.gz MOENBVUMULLDIW-UHFFFAOYSA-N 0 0 331.706 2.877 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@]12CCOC2 ZINC001325520440 1329693758 /nfs/dbraw/zinc/69/37/58/1329693758.db2.gz SVHPTKJAHGXNNK-KXBFYZLASA-N 0 0 331.460 2.566 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@]12CCOC2 ZINC001325520438 1329693874 /nfs/dbraw/zinc/69/38/74/1329693874.db2.gz SVHPTKJAHGXNNK-DNVCBOLYSA-N 0 0 331.460 2.566 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[C@H](F)C1 ZINC001325918726 1329724185 /nfs/dbraw/zinc/72/41/85/1329724185.db2.gz RZHHWGIANBUHCL-GJZGRUSLSA-N 0 0 338.398 2.807 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@]23CCOC3)c(C)n1-c1ccc(F)cn1 ZINC001326212684 1329739275 /nfs/dbraw/zinc/73/92/75/1329739275.db2.gz AHWMYZUWJJRQKZ-LJQANCHMSA-N 0 0 343.402 2.676 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@H]1c1cccc(F)c1)OCO2 ZINC001327679449 1330507701 /nfs/dbraw/zinc/50/77/01/1330507701.db2.gz QHTDSYQYOLRPOQ-HNNXBMFYSA-N 0 0 331.343 2.834 10 10 EFCERN Cc1cc(CC(=O)NCC(=O)OC(C)C)c(C)n1-c1ccccc1 ZINC001327890808 1330527371 /nfs/dbraw/zinc/52/73/71/1330527371.db2.gz GKZSBPNRSLKLMD-UHFFFAOYSA-N 0 0 328.412 2.704 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001328009355 1330541209 /nfs/dbraw/zinc/54/12/09/1330541209.db2.gz HTUNWXKPZJDVDD-DZGCQCFKSA-N 0 0 337.391 2.812 10 10 EFCERN COCC1(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001328119877 1330559497 /nfs/dbraw/zinc/55/94/97/1330559497.db2.gz OZNZHXWZJJTQDC-UHFFFAOYSA-N 0 0 329.444 2.679 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001328252616 1330574819 /nfs/dbraw/zinc/57/48/19/1330574819.db2.gz HQRAFZMXXVKRFH-OUAUKWLOSA-N 0 0 328.315 2.832 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C(C)C)C1CC1 ZINC001328296107 1330583006 /nfs/dbraw/zinc/58/30/06/1330583006.db2.gz TXWGJGCJKRXKPD-GOSISDBHSA-N 0 0 345.487 2.652 10 10 EFCERN CCN(CC)C(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001329136868 1330672626 /nfs/dbraw/zinc/67/26/26/1330672626.db2.gz CWFRDYKTVOSENA-UHFFFAOYSA-N 0 0 341.455 2.621 10 10 EFCERN CN1CCN(c2ccc(CNc3cnn4c3CCCC4)cc2F)CC1 ZINC001329348122 1330697353 /nfs/dbraw/zinc/69/73/53/1330697353.db2.gz BJYYQQBUMXQJRM-UHFFFAOYSA-N 0 0 343.450 2.722 10 10 EFCERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001329497271 1330712312 /nfs/dbraw/zinc/71/23/12/1330712312.db2.gz MLUURXYPBMVUGI-HZPDHXFCSA-N 0 0 344.455 2.908 10 10 EFCERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001329497270 1330712342 /nfs/dbraw/zinc/71/23/42/1330712342.db2.gz MLUURXYPBMVUGI-HOTGVXAUSA-N 0 0 344.455 2.908 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC001329721211 1330730577 /nfs/dbraw/zinc/73/05/77/1330730577.db2.gz BZZVSJQVWCCLHT-SJLPKXTDSA-N 0 0 331.460 2.900 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC=CCC1 ZINC001331906510 1330889241 /nfs/dbraw/zinc/88/92/41/1330889241.db2.gz JENVKOJLTWYVMV-UHFFFAOYSA-N 0 0 330.428 2.746 10 10 EFCERN CCc1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)n[nH]1 ZINC001331993599 1330901954 /nfs/dbraw/zinc/90/19/54/1330901954.db2.gz LTJNFAOHOTXDKX-UHFFFAOYSA-N 0 0 344.390 2.679 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCCC(F)F)C2)cc1 ZINC001332331224 1330959062 /nfs/dbraw/zinc/95/90/62/1330959062.db2.gz XRZIAQFCHKXXPM-GFCCVEGCSA-N 0 0 327.375 2.618 10 10 EFCERN CN(C)c1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1 ZINC001332763843 1331019190 /nfs/dbraw/zinc/01/91/90/1331019190.db2.gz KSBPZKOTVJHSIG-UHFFFAOYSA-N 0 0 331.391 2.639 10 10 EFCERN C[C@H](NC(=O)C(=O)NCC1CCC=CCC1)c1ccc(N(C)C)cc1 ZINC001333428807 1331141805 /nfs/dbraw/zinc/14/18/05/1331141805.db2.gz MGXDQPHDHSGABB-HNNXBMFYSA-N 0 0 343.471 2.792 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H]1CCCCN1Cc1ccncc1 ZINC001333661728 1331189683 /nfs/dbraw/zinc/18/96/83/1331189683.db2.gz WQYCPSXNSMWRBU-QGZVFWFLSA-N 0 0 343.402 2.597 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333734261 1331203879 /nfs/dbraw/zinc/20/38/79/1331203879.db2.gz LLDKTELVYMVWSD-GFCCVEGCSA-N 0 0 329.799 2.548 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC001335758234 1331398834 /nfs/dbraw/zinc/39/88/34/1331398834.db2.gz FOKQFKFJHUZSOC-MRXNPFEDSA-N 0 0 343.471 2.516 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001341025411 1332227662 /nfs/dbraw/zinc/22/76/62/1332227662.db2.gz NJMZXBIYUXXGGE-ZIAGYGMSSA-N 0 0 347.333 2.785 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1F ZINC001346266799 1332619930 /nfs/dbraw/zinc/61/99/30/1332619930.db2.gz KYQMGEGMFGJNPA-ZBFHGGJFSA-N 0 0 335.423 2.602 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001347205995 1332724097 /nfs/dbraw/zinc/72/40/97/1332724097.db2.gz RVNPZAZWUYWIGL-NVXWUHKLSA-N 0 0 339.819 2.780 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(C(F)F)on1 ZINC001347374640 1332738329 /nfs/dbraw/zinc/73/83/29/1332738329.db2.gz UCVUJLDVTALQJP-UHFFFAOYSA-N 0 0 338.358 2.986 10 10 EFCERN CC(=O)c1cccc(OCCCC(=O)NCc2cccc(O)c2O)c1 ZINC001347541172 1332754137 /nfs/dbraw/zinc/75/41/37/1332754137.db2.gz DKHIQADZAPLHSV-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CCOc1ccc(C[C@@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001347542799 1332754227 /nfs/dbraw/zinc/75/42/27/1332754227.db2.gz SAIAOLDYUACWSY-CYBMUJFWSA-N 0 0 329.396 2.992 10 10 EFCERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001348737839 1332864627 /nfs/dbraw/zinc/86/46/27/1332864627.db2.gz RSUUMFKDIPOOFF-RHSMWYFYSA-N 0 0 330.388 2.880 10 10 EFCERN CC(C)(C)OC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC001348788909 1332870811 /nfs/dbraw/zinc/87/08/11/1332870811.db2.gz KIRJODDTVFUHRE-UHFFFAOYSA-N 0 0 332.400 2.682 10 10 EFCERN CCOc1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001349106203 1332905992 /nfs/dbraw/zinc/90/59/92/1332905992.db2.gz ALCCMAIVUPLHHF-UHFFFAOYSA-N 0 0 340.427 2.748 10 10 EFCERN COC(=O)c1sccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001349331187 1332939132 /nfs/dbraw/zinc/93/91/32/1332939132.db2.gz SAJNEMNZTZIABE-VIFPVBQESA-N 0 0 335.381 2.740 10 10 EFCERN COC(=O)c1sccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001349331184 1332939230 /nfs/dbraw/zinc/93/92/30/1332939230.db2.gz SAJNEMNZTZIABE-SECBINFHSA-N 0 0 335.381 2.740 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001349397569 1332947400 /nfs/dbraw/zinc/94/74/00/1332947400.db2.gz XNRHMZHDBNSVLG-MKZZRHPPSA-N 0 0 348.468 2.550 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001349633692 1332978688 /nfs/dbraw/zinc/97/86/88/1332978688.db2.gz WGQCGSSPLPITAI-YJBOKZPZSA-N 0 0 337.467 2.918 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)nc(C)c3)C2)cc1 ZINC001350551948 1333096018 /nfs/dbraw/zinc/09/60/18/1333096018.db2.gz BOFAZHPQBYUPTM-HNNXBMFYSA-N 0 0 340.427 2.529 10 10 EFCERN CCNc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccn1 ZINC001350758131 1333128024 /nfs/dbraw/zinc/12/80/24/1333128024.db2.gz AMGQWWRHOTVNMM-UHFFFAOYSA-N 0 0 327.432 2.579 10 10 EFCERN CCc1ccccc1-n1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC001350777289 1333130624 /nfs/dbraw/zinc/13/06/24/1333130624.db2.gz ZLSGSFDZOPAUQO-UHFFFAOYSA-N 0 0 349.438 2.826 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2([C@@H]3CCCO3)CCC2)cc1F ZINC001350881157 1333146571 /nfs/dbraw/zinc/14/65/71/1333146571.db2.gz JQGQGJNJLVRHKV-INIZCTEOSA-N 0 0 335.423 2.793 10 10 EFCERN CCOC(=O)NCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162531 1333188573 /nfs/dbraw/zinc/18/85/73/1333188573.db2.gz HFKBMBBQGQKYLW-UHFFFAOYSA-N 0 0 347.459 2.772 10 10 EFCERN CCC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)COC1 ZINC001351352045 1333216230 /nfs/dbraw/zinc/21/62/30/1333216230.db2.gz GYUWAMSFBXNUAP-UHFFFAOYSA-N 0 0 334.485 2.673 10 10 EFCERN CCCN1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001351673159 1333267291 /nfs/dbraw/zinc/26/72/91/1333267291.db2.gz IZNYIMAGLXEHMK-QGZVFWFLSA-N 0 0 343.471 2.504 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2csc(-c3ncc[nH]3)n2)cc1F ZINC001351737684 1333278517 /nfs/dbraw/zinc/27/85/17/1333278517.db2.gz FWHBCNAHWJGQCD-UHFFFAOYSA-N 0 0 345.403 2.668 10 10 EFCERN CCC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001351817336 1333291222 /nfs/dbraw/zinc/29/12/22/1333291222.db2.gz QETMFMGAEPGEFP-UHFFFAOYSA-N 0 0 333.476 2.654 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCc2cccc(C)c2OC)c1 ZINC000847315736 1333534437 /nfs/dbraw/zinc/53/44/37/1333534437.db2.gz AUBKRQXDXXLEKV-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN COc1cnc(F)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000847338176 1333567267 /nfs/dbraw/zinc/56/72/67/1333567267.db2.gz GRVCSYPIHNJVHY-UHFFFAOYSA-N 0 0 329.375 2.760 10 10 EFCERN CO[C@@H]1COCC[C@@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352614788 1333631910 /nfs/dbraw/zinc/63/19/10/1333631910.db2.gz IZJVAFNSYYKYBJ-IEBWSBKVSA-N 0 0 346.471 2.687 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2c(c1)nnn2C ZINC001352615948 1333632260 /nfs/dbraw/zinc/63/22/60/1333632260.db2.gz URKHMMMBEHMLPF-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN COCC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000847421141 1333690111 /nfs/dbraw/zinc/69/01/11/1333690111.db2.gz NNAOEWQYEXXKRW-INIZCTEOSA-N 0 0 348.443 2.509 10 10 EFCERN COCC1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000847421038 1333690662 /nfs/dbraw/zinc/69/06/62/1333690662.db2.gz JUKZAKSLYVHZJD-UHFFFAOYSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1ccccc1C ZINC000848269764 1334547850 /nfs/dbraw/zinc/54/78/50/1334547850.db2.gz KARPJNVQYTXPIQ-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848347408 1334681179 /nfs/dbraw/zinc/68/11/79/1334681179.db2.gz QELAAYJXJRSYRU-JDRNFJBZSA-N 0 0 345.317 2.727 10 10 EFCERN COCc1nocc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355288868 1334731328 /nfs/dbraw/zinc/73/13/28/1334731328.db2.gz ZOWYYOUJZQNLRO-UHFFFAOYSA-N 0 0 349.350 2.783 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848561997 1334795860 /nfs/dbraw/zinc/79/58/60/1334795860.db2.gz GQSTZGACPBKDOZ-IMMZDGJCSA-N 0 0 327.432 2.525 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000848598945 1334810416 /nfs/dbraw/zinc/81/04/16/1334810416.db2.gz VIZRBNJJZBOJGZ-KGLIPLIRSA-N 0 0 345.365 2.611 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848820854 1334923847 /nfs/dbraw/zinc/92/38/47/1334923847.db2.gz BZSNNBFBZKGSFF-UHFFFAOYSA-N 0 0 344.285 2.708 10 10 EFCERN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923005 1334989910 /nfs/dbraw/zinc/98/99/10/1334989910.db2.gz BOPCTXGJKCRJHZ-SDDRHHMPSA-N 0 0 330.831 2.772 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C)c1 ZINC000861888921 1335408124 /nfs/dbraw/zinc/40/81/24/1335408124.db2.gz ZJXQFSCZHFGDLN-KXBFYZLASA-N 0 0 340.423 2.892 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nccnc2c1 ZINC000935946178 1335464610 /nfs/dbraw/zinc/46/46/10/1335464610.db2.gz AGTWTJHTZKRORC-UHFFFAOYSA-N 0 0 328.368 2.751 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[nH]nc2c1cccc2OC ZINC000935945682 1335464614 /nfs/dbraw/zinc/46/46/14/1335464614.db2.gz GWHPXSXHZMIHOP-UHFFFAOYSA-N 0 0 346.383 2.693 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC000935945627 1335464659 /nfs/dbraw/zinc/46/46/59/1335464659.db2.gz DUNMCUHAOMVFSV-OAHLLOKOSA-N 0 0 332.396 2.806 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(NC2CC2)nc1 ZINC000935946475 1335464685 /nfs/dbraw/zinc/46/46/85/1335464685.db2.gz IDOFCVPVXMGDKZ-UHFFFAOYSA-N 0 0 332.400 2.777 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2CCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000849351907 1335597052 /nfs/dbraw/zinc/59/70/52/1335597052.db2.gz FHZJQUTXGICWID-CQSZACIVSA-N 0 0 329.356 2.668 10 10 EFCERN CCCCC[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849357753 1335597926 /nfs/dbraw/zinc/59/79/26/1335597926.db2.gz PJGLSJCLSRWDBP-NVXWUHKLSA-N 0 0 345.443 2.775 10 10 EFCERN CCCN1C(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C(=O)[C@@H]1CC ZINC000849357886 1335597943 /nfs/dbraw/zinc/59/79/43/1335597943.db2.gz QKNBWVSKGDVLJY-WBVHZDCISA-N 0 0 345.443 2.727 10 10 EFCERN COc1ccc(N2CC[C@H](N3C(=O)[C@@H](CC(C)C)N(C)C3=O)C2)cc1 ZINC000849357937 1335597951 /nfs/dbraw/zinc/59/79/51/1335597951.db2.gz QWHZXZWGNFGXDG-DOTOQJQBSA-N 0 0 345.443 2.583 10 10 EFCERN COC(=O)CCN(C(=O)/C=C(/C)c1cnccn1)c1cccc(F)c1 ZINC001361058796 1335954024 /nfs/dbraw/zinc/95/40/24/1335954024.db2.gz QAPPTUMVRKIXQH-RAXLEYEMSA-N 0 0 343.358 2.615 10 10 EFCERN Cc1nnc(N2C[C@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001361095774 1335954598 /nfs/dbraw/zinc/95/45/98/1335954598.db2.gz OXIKUMZNWYMZFD-AEFFLSMTSA-N 0 0 325.460 2.998 10 10 EFCERN Cc1ccc(OC(F)F)c(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001545732534 1374207940 /nfs/dbraw/zinc/20/79/40/1374207940.db2.gz HESFUMAUXJDMPN-UHFFFAOYSA-N 0 0 337.322 2.867 10 10 EFCERN Cc1ncsc1/C=C\C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001439441764 1389282954 /nfs/dbraw/zinc/28/29/54/1389282954.db2.gz KFAHCDBZZFVAPM-IHWYPQMZSA-N 0 0 335.335 2.728 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N(C)c3ccnn3C)ccc21 ZINC001440276767 1389497798 /nfs/dbraw/zinc/49/77/98/1389497798.db2.gz HKIPJNKQZSDDSG-UHFFFAOYSA-N 0 0 340.427 2.915 10 10 EFCERN CC(=O)N/C(=C/c1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001440650016 1389797447 /nfs/dbraw/zinc/79/74/47/1389797447.db2.gz YXWBMTAWISBBMS-GZTJUZNOSA-N 0 0 343.452 2.608 10 10 EFCERN Cc1nc(N)nc(C)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440714723 1389832186 /nfs/dbraw/zinc/83/21/86/1389832186.db2.gz MSBFOHYYMHWKNU-UHFFFAOYSA-N 0 0 339.443 2.548 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(Cl)n1C ZINC001440712171 1389832305 /nfs/dbraw/zinc/83/23/05/1389832305.db2.gz MKBGHPCQNZIKBO-UHFFFAOYSA-N 0 0 332.835 2.946 10 10 EFCERN CCOc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[nH]n1 ZINC001440713376 1389832401 /nfs/dbraw/zinc/83/24/01/1389832401.db2.gz IIPOJGRGEBOSDH-UHFFFAOYSA-N 0 0 328.416 2.681 10 10 EFCERN COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c[nH]1 ZINC001440712529 1389832468 /nfs/dbraw/zinc/83/24/68/1389832468.db2.gz DYCKCRCLMLSYEZ-UHFFFAOYSA-N 0 0 341.411 2.674 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCn2ncnc21 ZINC001441921050 1391439489 /nfs/dbraw/zinc/43/94/89/1391439489.db2.gz XSQQJACSSAUAHA-QGZVFWFLSA-N 0 0 341.459 2.659 10 10 EFCERN Cc1ccccc1[C@H](CC(=O)N[C@H](C)c1ccccc1O)NC(N)=O ZINC001454799022 1394237390 /nfs/dbraw/zinc/23/73/90/1394237390.db2.gz SABWYLYDFJZAFR-CJNGLKHVSA-N 0 0 341.411 2.678 10 10 EFCERN COc1cc(C(=O)N[C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OC ZINC001454809110 1394253426 /nfs/dbraw/zinc/25/34/26/1394253426.db2.gz ZWWKXNBFKQHDOY-SNVBAGLBSA-N 0 0 346.339 2.809 10 10 EFCERN C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1O ZINC001454812510 1394257244 /nfs/dbraw/zinc/25/72/44/1394257244.db2.gz AOKGDXKTTSTZAW-QMMMGPOBSA-N 0 0 344.352 2.796 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3cc(O)ccc3O)C2)c1 ZINC001455351455 1394592631 /nfs/dbraw/zinc/59/26/31/1394592631.db2.gz GAITZEKZILSYPN-SFHVURJKSA-N 0 0 340.379 2.524 10 10 EFCERN O=C(Cc1coc2c1ccc(F)c2F)NCc1cc(O)ccc1O ZINC001455351473 1394592908 /nfs/dbraw/zinc/59/29/08/1394592908.db2.gz GEMIPXHOFARESB-UHFFFAOYSA-N 0 0 333.290 2.981 10 10 EFCERN Cn1cc(Oc2ccccc2C(=O)NCc2cc(O)ccc2O)cn1 ZINC001455355450 1394593548 /nfs/dbraw/zinc/59/35/48/1394593548.db2.gz ASZAJHBFBVPKSR-UHFFFAOYSA-N 0 0 339.351 2.554 10 10 EFCERN COc1ccc2nc(C)c(C(=O)NCc3cc(O)ccc3O)cc2c1 ZINC001455356212 1394593803 /nfs/dbraw/zinc/59/38/03/1394593803.db2.gz HXIPHLGOYCEXQR-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NCc1c(O)cccc1O ZINC001456326561 1394667738 /nfs/dbraw/zinc/66/77/38/1394667738.db2.gz YPIANJNQLCARGO-CQSZACIVSA-N 0 0 337.379 2.659 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001456874634 1394847521 /nfs/dbraw/zinc/84/75/21/1394847521.db2.gz BAOODHIVDYNXBL-UHFFFAOYSA-N 0 0 345.330 2.839 10 10 EFCERN Cc1nc2c(cnn2C)c(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001458082582 1395404114 /nfs/dbraw/zinc/40/41/14/1395404114.db2.gz DNRQHABHYCUWTH-UHFFFAOYSA-N 0 0 336.443 2.908 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC001458252352 1395432590 /nfs/dbraw/zinc/43/25/90/1395432590.db2.gz DYILNJNXJVOOTI-FNORWQNLSA-N 0 0 334.372 2.642 10 10 EFCERN CCOc1ccc(N2CCN([C@H](CC(C)C)C(=O)OC)CC2)cc1 ZINC001459796956 1395983162 /nfs/dbraw/zinc/98/31/62/1395983162.db2.gz MMGRUQSHDMJULD-GOSISDBHSA-N 0 0 334.460 2.795 10 10 EFCERN Cc1cc(CNC(=O)c2ccn(C)c(=O)c2)c(C)n1-c1ccccc1 ZINC001462080854 1396419852 /nfs/dbraw/zinc/41/98/52/1396419852.db2.gz CAGVBCCXZVCNCW-UHFFFAOYSA-N 0 0 335.407 2.723 10 10 EFCERN CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1cccc(C)c1F ZINC001462326816 1396431926 /nfs/dbraw/zinc/43/19/26/1396431926.db2.gz CWXDVJVTEYKKPI-CMDGGOBGSA-N 0 0 341.386 2.955 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001464471908 1396579392 /nfs/dbraw/zinc/57/93/92/1396579392.db2.gz YCCKAQBYGYRWLD-OXQOHEQNSA-N 0 0 341.407 2.924 10 10 EFCERN C[C@@H](O)c1ncc(C(=O)NCCCSc2nccs2)s1 ZINC001464901619 1396628315 /nfs/dbraw/zinc/62/83/15/1396628315.db2.gz NUNHDFNSFDEZIP-MRVPVSSYSA-N 0 0 329.472 2.565 10 10 EFCERN Cc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C(N)=O ZINC001465308375 1396667040 /nfs/dbraw/zinc/66/70/40/1396667040.db2.gz FKFYSTCPEMHVCH-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN CC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccccc1F ZINC001465662562 1396701285 /nfs/dbraw/zinc/70/12/85/1396701285.db2.gz NGFKUHBGNYABSX-CYBMUJFWSA-N 0 0 333.359 2.753 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001465893091 1396720320 /nfs/dbraw/zinc/72/03/20/1396720320.db2.gz MNFJGEBAMORNHM-LJQANCHMSA-N 0 0 337.375 2.643 10 10 EFCERN COc1cc(F)c(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1 ZINC001465955010 1396726121 /nfs/dbraw/zinc/72/61/21/1396726121.db2.gz VFVTWAPEWMKXHG-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C(F)(F)F)ccn2)c1O ZINC001465992357 1396729035 /nfs/dbraw/zinc/72/90/35/1396729035.db2.gz JWFXJVZEDNRFDA-UHFFFAOYSA-N 0 0 326.274 2.745 10 10 EFCERN Cc1cc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)[nH]n1 ZINC001466289638 1396745702 /nfs/dbraw/zinc/74/57/02/1396745702.db2.gz AUFIGCKXZJZOHE-QGZVFWFLSA-N 0 0 343.427 2.564 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001466311759 1396747394 /nfs/dbraw/zinc/74/73/94/1396747394.db2.gz HYEUGFXOGBSCAJ-ZDUSSCGKSA-N 0 0 347.798 2.974 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C(F)(F)F)cs1 ZINC001467524724 1396866138 /nfs/dbraw/zinc/86/61/38/1396866138.db2.gz YUFGOOMTAUXQPT-SSDOTTSWSA-N 0 0 346.330 2.993 10 10 EFCERN Nc1cc(F)ccc1C(=O)NCc1cccc(Br)c1O ZINC001467763611 1396894301 /nfs/dbraw/zinc/89/43/01/1396894301.db2.gz JXTMAZFJYZXHBM-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(NC(=O)NC)cc1 ZINC001467840314 1396903365 /nfs/dbraw/zinc/90/33/65/1396903365.db2.gz NVYHIZVMIIVGSH-UHFFFAOYSA-N 0 0 348.399 2.559 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc3c[nH]nc3c2)cc1 ZINC001467964554 1396914852 /nfs/dbraw/zinc/91/48/52/1396914852.db2.gz KKMNQDANWYBUFN-UHFFFAOYSA-N 0 0 336.355 2.698 10 10 EFCERN CN(C)C(=O)Nc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001468145679 1396929006 /nfs/dbraw/zinc/92/90/06/1396929006.db2.gz QEGLBHDDRWYGNC-CLFYSBASSA-N 0 0 341.367 2.843 10 10 EFCERN O=C(N[C@H](CO)c1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001468365826 1396949723 /nfs/dbraw/zinc/94/97/23/1396949723.db2.gz MTTSWAMZTKOZKS-GFCCVEGCSA-N 0 0 347.367 2.915 10 10 EFCERN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@](C)(C(F)(F)F)O1 ZINC001468447050 1396958436 /nfs/dbraw/zinc/95/84/36/1396958436.db2.gz PEFJCWKDBGMMOV-HNNXBMFYSA-N 0 0 347.333 2.599 10 10 EFCERN Cc1cc(OC(F)F)c(C(=O)NCc2ccc(O)cc2O)s1 ZINC001469158566 1397006787 /nfs/dbraw/zinc/00/67/87/1397006787.db2.gz BMCKCWKLNJYZDF-UHFFFAOYSA-N 0 0 329.324 2.999 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc(-c2ccncc2)s1 ZINC001469158928 1397006960 /nfs/dbraw/zinc/00/69/60/1397006960.db2.gz HAQYKJDZBJXMLZ-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(O)cc3O)c2)cs1 ZINC001469161330 1397007056 /nfs/dbraw/zinc/00/70/56/1397007056.db2.gz YHAMEWGWWDRQEF-UHFFFAOYSA-N 0 0 329.381 2.788 10 10 EFCERN COC(=O)c1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469250248 1397015896 /nfs/dbraw/zinc/01/58/96/1397015896.db2.gz SIQLUGJQPUAYJL-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c2nccn2c1 ZINC001469251156 1397015989 /nfs/dbraw/zinc/01/59/89/1397015989.db2.gz YKPQPFDTNKUPEX-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN Cn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C(F)F ZINC001469249727 1397016062 /nfs/dbraw/zinc/01/60/62/1397016062.db2.gz NZSCXMVNSLUWQC-UHFFFAOYSA-N 0 0 332.310 2.542 10 10 EFCERN CCN(OC)C(=O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001469389173 1397028738 /nfs/dbraw/zinc/02/87/38/1397028738.db2.gz MCSSIYFGJFADMY-UHFFFAOYSA-N 0 0 343.427 2.542 10 10 EFCERN CCN(CC)Cc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001469572718 1397039239 /nfs/dbraw/zinc/03/92/39/1397039239.db2.gz XYRFOFRMRUYYIV-UHFFFAOYSA-N 0 0 335.429 2.577 10 10 EFCERN CCOC(=O)Nc1ccc(F)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001471642491 1397190953 /nfs/dbraw/zinc/19/09/53/1397190953.db2.gz WJJKGJGOURAOKM-UHFFFAOYSA-N 0 0 348.330 2.735 10 10 EFCERN Cc1cc(OC(F)F)c(C(=O)NCc2cccc(O)c2O)s1 ZINC001471643536 1397192450 /nfs/dbraw/zinc/19/24/50/1397192450.db2.gz IKBFOSMDIALOTN-UHFFFAOYSA-N 0 0 329.324 2.999 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc2ccc(O)cc2c1O ZINC001471661904 1397194907 /nfs/dbraw/zinc/19/49/07/1397194907.db2.gz GTEIRBDIHVFNNP-UHFFFAOYSA-N 0 0 325.320 2.592 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001471660989 1397194961 /nfs/dbraw/zinc/19/49/61/1397194961.db2.gz PYJBFTFGIDYVMJ-GFCCVEGCSA-N 0 0 333.771 2.619 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001471661725 1397195169 /nfs/dbraw/zinc/19/51/69/1397195169.db2.gz ZWSVYFQVBRQEDU-ZBEGNZNMSA-N 0 0 340.379 2.622 10 10 EFCERN COC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001471680908 1397197269 /nfs/dbraw/zinc/19/72/69/1397197269.db2.gz KMLWQUVXEFOBKB-LBPRGKRZSA-N 0 0 346.387 2.654 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN=S(C)(C)=O ZINC001471982480 1397230459 /nfs/dbraw/zinc/23/04/59/1397230459.db2.gz CHMPYXOOIMDBIV-UHFFFAOYSA-N 0 0 347.484 2.860 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC(c2cccnc2)=NO1 ZINC001472084918 1397244362 /nfs/dbraw/zinc/24/43/62/1397244362.db2.gz HFPXUBISBKFIKO-IBGZPJMESA-N 0 0 347.374 2.750 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001472078537 1397244822 /nfs/dbraw/zinc/24/48/22/1397244822.db2.gz QGBIKXYDYNBIDT-AULYBMBSSA-N 0 0 333.334 2.981 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CNC(=O)c2ccccc21 ZINC001472084783 1397244965 /nfs/dbraw/zinc/24/49/65/1397244965.db2.gz DEZBEQWSERBPPG-GOSISDBHSA-N 0 0 346.386 2.689 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1Cc2ccccc2C(=O)O1 ZINC001472086159 1397245550 /nfs/dbraw/zinc/24/55/50/1397245550.db2.gz ODGBLOKXMOBFGM-LJQANCHMSA-N 0 0 347.370 2.943 10 10 EFCERN COCc1nc(OC)cc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001472648649 1397265937 /nfs/dbraw/zinc/26/59/37/1397265937.db2.gz ICWDEQYLSBJWPW-UHFFFAOYSA-N 0 0 342.443 2.868 10 10 EFCERN CCOC(=O)CN(CCCOCC(F)(F)F)Cc1ccccc1O ZINC001473572511 1397311069 /nfs/dbraw/zinc/31/10/69/1397311069.db2.gz ZJGPEZZFDYHYJC-UHFFFAOYSA-N 0 0 349.349 2.726 10 10 EFCERN COC(=O)[C@@H](c1ccccc1)N(C)CCN(C)c1ccc(OC)cc1 ZINC001473610078 1397314475 /nfs/dbraw/zinc/31/44/75/1397314475.db2.gz KTCPMTCJNOJBLV-LJQANCHMSA-N 0 0 342.439 2.978 10 10 EFCERN COc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 ZINC001473612966 1397315920 /nfs/dbraw/zinc/31/59/20/1397315920.db2.gz DKBOLTSTOHRRRR-YJBOKZPZSA-N 0 0 334.460 2.843 10 10 EFCERN CC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001474072605 1397362355 /nfs/dbraw/zinc/36/23/55/1397362355.db2.gz CEHJRAXXVHSXAL-INIZCTEOSA-N 0 0 341.367 2.888 10 10 EFCERN CC(=O)c1cccc(S(=O)(=O)NCc2cccc(Cl)c2O)c1 ZINC001475774863 1397457753 /nfs/dbraw/zinc/45/77/53/1397457753.db2.gz SPNSZYVGXPNRPU-UHFFFAOYSA-N 0 0 339.800 2.727 10 10 EFCERN CCn1ccc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001478823068 1397591100 /nfs/dbraw/zinc/59/11/00/1397591100.db2.gz NOUCKKVDZHBCRU-UHFFFAOYSA-N 0 0 341.459 2.845 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@H](SC)C2)cc1 ZINC001479058892 1397606004 /nfs/dbraw/zinc/60/60/04/1397606004.db2.gz NYNPERVACZANKX-SAZUREKKSA-N 0 0 337.489 2.667 10 10 EFCERN COc1ccc(CNC(=O)NCCc2ccc(C(C)=O)cc2)c(O)c1 ZINC001479620992 1397757319 /nfs/dbraw/zinc/75/73/19/1397757319.db2.gz AJAXCNGOJVIAHK-UHFFFAOYSA-N 0 0 342.395 2.645 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H]1OC ZINC001498676401 1402237471 /nfs/dbraw/zinc/23/74/71/1402237471.db2.gz XDWUXVIFXVBDIJ-NVXWUHKLSA-N 0 0 344.459 2.998 10 10 EFCERN CCC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001503206796 1404475480 /nfs/dbraw/zinc/47/54/80/1404475480.db2.gz QCMKDRFANHZNDX-NEPJUHHUSA-N 0 0 347.419 2.520 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccoc1 ZINC001728983395 1426319314 /nfs/dbraw/zinc/31/93/14/1426319314.db2.gz JPKMLYCHUQBCKF-UHFFFAOYSA-N 0 0 342.399 2.798 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC001546296951 1405684942 /nfs/dbraw/zinc/68/49/42/1405684942.db2.gz YWLISDBMRGJSGD-ORAYPTAESA-N 0 0 340.423 2.750 10 10 EFCERN Cc1nnc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001556129728 1415054345 /nfs/dbraw/zinc/05/43/45/1415054345.db2.gz NTHUAXFQMPOYBS-ZCFIWIBFSA-N 0 0 335.410 2.963 10 10 EFCERN COc1ccc(CNC(=O)c2cn(C)nc2-c2ccc(C)o2)c(O)c1 ZINC001556354745 1415065657 /nfs/dbraw/zinc/06/56/57/1415065657.db2.gz SROMQEGRBCXMIN-UHFFFAOYSA-N 0 0 341.367 2.633 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](CO)C(C)C ZINC001556507089 1415073308 /nfs/dbraw/zinc/07/33/08/1415073308.db2.gz JEQPEXPWOAZLMT-KRWDZBQOSA-N 0 0 342.439 2.901 10 10 EFCERN CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001557084630 1415103873 /nfs/dbraw/zinc/10/38/73/1415103873.db2.gz HYTPKPYDHFSKJE-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN COC(=O)c1c(C)c(C)sc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001557247062 1415114909 /nfs/dbraw/zinc/11/49/09/1415114909.db2.gz ILMLPVJTFITMGM-UHFFFAOYSA-N 0 0 335.381 2.744 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 ZINC001557554462 1415131420 /nfs/dbraw/zinc/13/14/20/1415131420.db2.gz ZXACNKPYYRMCBF-CQSZACIVSA-N 0 0 342.370 2.509 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC001557553980 1415131514 /nfs/dbraw/zinc/13/15/14/1415131514.db2.gz SQQCEXFFPIWLHM-UHFFFAOYSA-N 0 0 328.393 2.675 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CCCC3=O)CC2)cc1 ZINC001557688741 1415137650 /nfs/dbraw/zinc/13/76/50/1415137650.db2.gz GIQMYUCPZVFHRU-UHFFFAOYSA-N 0 0 328.372 2.824 10 10 EFCERN Cn1cc([C@@H]2N(C(=O)c3ccc(N=NC(N)=O)cc3)CC2(C)C)cn1 ZINC001557721524 1415140386 /nfs/dbraw/zinc/14/03/86/1415140386.db2.gz PTEFHAJOOOXOKI-AWEZNQCLSA-N 0 0 340.387 2.806 10 10 EFCERN C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)c1ccccc1O ZINC001557968274 1415153201 /nfs/dbraw/zinc/15/32/01/1415153201.db2.gz WYSOAXIVXBLTTQ-PYBGIAKNSA-N 0 0 344.455 2.997 10 10 EFCERN Cc1cc(C(F)F)n2ncc(C(=O)N3Cc4cccc(O)c4C3)c2n1 ZINC001558034970 1415156407 /nfs/dbraw/zinc/15/64/07/1415156407.db2.gz CCVRCORFARHLGJ-UHFFFAOYSA-N 0 0 344.321 2.837 10 10 EFCERN Nc1c(Cl)cc(C(=O)NCc2cc(O)ccc2O)cc1Cl ZINC001558174955 1415164111 /nfs/dbraw/zinc/16/41/11/1415164111.db2.gz DVQRODOLKBJTRH-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnc(C(N)=O)s1 ZINC001558287947 1415169790 /nfs/dbraw/zinc/16/97/90/1415169790.db2.gz AYZJRCCPEPZJSL-UHFFFAOYSA-N 0 0 346.437 2.963 10 10 EFCERN Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)c[nH]2)c(O)c1O ZINC001558289503 1415170184 /nfs/dbraw/zinc/17/01/84/1415170184.db2.gz NSSCBEBJQHFOJO-UHFFFAOYSA-N 0 0 337.379 2.769 10 10 EFCERN CCOc1cccc2[nH]cc(CC(=O)NCc3c(O)cccc3O)c21 ZINC001558533354 1415186095 /nfs/dbraw/zinc/18/60/95/1415186095.db2.gz DFKNCQYDZMTCDC-UHFFFAOYSA-N 0 0 340.379 2.837 10 10 EFCERN CCc1nc2ccc(Cl)cn2c1C(=O)NCc1c(O)cccc1O ZINC001558535069 1415186899 /nfs/dbraw/zinc/18/68/99/1415186899.db2.gz DMQLTVCSFVAUOZ-UHFFFAOYSA-N 0 0 345.786 2.891 10 10 EFCERN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)NCc1c(O)cccc1O ZINC001558535776 1415186946 /nfs/dbraw/zinc/18/69/46/1415186946.db2.gz NJSAFPBEHZPUOM-TVQRCGJNSA-N 0 0 333.306 2.604 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2nccc3ccccc32)CC1 ZINC001558536127 1415187130 /nfs/dbraw/zinc/18/71/30/1415187130.db2.gz STRVWTVXLPALIC-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN CC(C)c1n[nH]c(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC001558757142 1415199354 /nfs/dbraw/zinc/19/93/54/1415199354.db2.gz QUPBURUBZJZLIR-UHFFFAOYSA-N 0 0 338.751 2.730 10 10 EFCERN CCCc1cc(NCc2ccc3cccnc3c2O)n2ncnc2n1 ZINC001559216963 1415230842 /nfs/dbraw/zinc/23/08/42/1415230842.db2.gz TXVOPQAHHAECLU-UHFFFAOYSA-N 0 0 334.383 2.943 10 10 EFCERN CCOC(=O)c1cc(NCc2ccc3cccnc3c2O)nc(C)n1 ZINC001559217153 1415231114 /nfs/dbraw/zinc/23/11/14/1415231114.db2.gz ZZPPHSFMZXEDDY-UHFFFAOYSA-N 0 0 338.367 2.828 10 10 EFCERN Cn1c(=O)c([N+](=O)[O-])c(N2Cc3cccc(O)c3C2)c2ccccc21 ZINC001559263122 1415233889 /nfs/dbraw/zinc/23/38/89/1415233889.db2.gz MRQFDQHAHNCADO-UHFFFAOYSA-N 0 0 337.335 2.673 10 10 EFCERN Cc1cc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001564489090 1415378773 /nfs/dbraw/zinc/37/87/73/1415378773.db2.gz VMEPZNAEYCTTFN-UHFFFAOYSA-N 0 0 339.443 2.727 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCOc2c(F)cccc21 ZINC001564579313 1415379523 /nfs/dbraw/zinc/37/95/23/1415379523.db2.gz NVFUWAVZCKNKQQ-AWEZNQCLSA-N 0 0 334.322 2.993 10 10 EFCERN CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001565621855 1415407565 /nfs/dbraw/zinc/40/75/65/1415407565.db2.gz PNBZRGSIKLKYFU-GFCCVEGCSA-N 0 0 339.395 2.887 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3ccc(O)cn3)cc2)CC1 ZINC001565664047 1415409368 /nfs/dbraw/zinc/40/93/68/1415409368.db2.gz UBFGEZJDACDWFX-UHFFFAOYSA-N 0 0 325.412 2.954 10 10 EFCERN COC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001565766639 1415414938 /nfs/dbraw/zinc/41/49/38/1415414938.db2.gz BPXNEZUKNXILNE-UHFFFAOYSA-N 0 0 335.743 2.719 10 10 EFCERN CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCCCC2 ZINC001565802988 1415416737 /nfs/dbraw/zinc/41/67/37/1415416737.db2.gz XYZIJVMHKWKHPM-SJORKVTESA-N 0 0 333.428 2.884 10 10 EFCERN Cc1nc(C)n(Cc2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC001566197056 1415534642 /nfs/dbraw/zinc/53/46/42/1415534642.db2.gz BXCGMWXEEXPUBT-UHFFFAOYSA-N 0 0 338.367 2.607 10 10 EFCERN O=C(C[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001566257859 1415537351 /nfs/dbraw/zinc/53/73/51/1415537351.db2.gz JOWZPBXWWHVHET-INIZCTEOSA-N 0 0 339.391 2.904 10 10 EFCERN COc1ccnc(OC)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001566359443 1415542944 /nfs/dbraw/zinc/54/29/44/1415542944.db2.gz CYQLYRSYEQDBTN-UHFFFAOYSA-N 0 0 342.395 2.613 10 10 EFCERN O=C(NCc1ccccc1O)c1nc(C(F)(F)F)n2ccccc12 ZINC001566374149 1415544159 /nfs/dbraw/zinc/54/41/59/1415544159.db2.gz WAKAWDXJTHMKKT-UHFFFAOYSA-N 0 0 335.285 2.989 10 10 EFCERN CCc1nc2c(nccc2C(=O)N[C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC001566374916 1415544315 /nfs/dbraw/zinc/54/43/15/1415544315.db2.gz YKWNKKLCSUJXNX-SNVBAGLBSA-N 0 0 340.383 2.726 10 10 EFCERN O=C(NCc1ccccc1O)c1ccc2c(Br)cnn2c1 ZINC001566373788 1415544350 /nfs/dbraw/zinc/54/43/50/1415544350.db2.gz FGBYUXBBNUDIEJ-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN Nc1cc(F)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001566686208 1415730021 /nfs/dbraw/zinc/73/00/21/1415730021.db2.gz JYPVAMDGHJIKJC-HNNXBMFYSA-N 0 0 344.386 2.935 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1ccon1 ZINC001567152213 1415954844 /nfs/dbraw/zinc/95/48/44/1415954844.db2.gz DDGPUXCVZBNCBA-UHFFFAOYSA-N 0 0 337.379 2.867 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c1 ZINC001567835430 1416293556 /nfs/dbraw/zinc/29/35/56/1416293556.db2.gz WXQOTUFBENHDRV-ROUUACIJSA-N 0 0 340.423 2.796 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2c(c1)NC(=O)CS2 ZINC001646029291 1416602839 /nfs/dbraw/zinc/60/28/39/1416602839.db2.gz VQCRRCCCZCEMDM-UHFFFAOYSA-N 0 0 332.356 2.506 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccccc1NC(=O)C1CC1 ZINC001646034915 1416604052 /nfs/dbraw/zinc/60/40/52/1416604052.db2.gz NZHAQNUDTDBNLS-UHFFFAOYSA-N 0 0 328.343 2.810 10 10 EFCERN COc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1F ZINC001646034977 1416604059 /nfs/dbraw/zinc/60/40/59/1416604059.db2.gz QGDUDFPVTKAHTO-UHFFFAOYSA-N 0 0 349.333 2.958 10 10 EFCERN COC(=O)c1cnc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC001683479673 1416681380 /nfs/dbraw/zinc/68/13/80/1416681380.db2.gz UORPPDMIXNLUTD-ZJUUUORDSA-N 0 0 349.412 2.757 10 10 EFCERN CCc1nc(Cn2c(C)nnc2N(C)Cc2ccccc2O)cs1 ZINC001727471074 1426300726 /nfs/dbraw/zinc/30/07/26/1426300726.db2.gz JNSRLJUMGRCQRQ-UHFFFAOYSA-N 0 0 343.456 2.996 10 10 EFCERN COC1(C(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000804735432 713455159 /nfs/dbraw/zinc/45/51/59/713455159.db2.gz YSIFNXHLRCQEKB-UHFFFAOYSA-N 0 0 328.206 2.730 10 10 EFCERN COc1cccc(/C(C)=C\C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000255027519 713313447 /nfs/dbraw/zinc/31/34/47/713313447.db2.gz MCMAXMPKNQUYSO-RAXLEYEMSA-N 0 0 327.380 2.869 10 10 EFCERN Cc1ccc(CC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804733187 713454667 /nfs/dbraw/zinc/45/46/67/713454667.db2.gz LINPWPWUTPMHJY-UHFFFAOYSA-N 0 0 335.201 2.717 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cc(F)ccc1O ZINC000804737119 713455979 /nfs/dbraw/zinc/45/59/79/713455979.db2.gz INUNWCQFBBHHJC-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804738735 713456360 /nfs/dbraw/zinc/45/63/60/713456360.db2.gz BYQSTROKGCDYIR-RWEMILLDSA-N 0 0 328.206 2.584 10 10 EFCERN O=C(CC1(O)CCCCC1)NCc1cc(Br)ccc1O ZINC000804739392 713456474 /nfs/dbraw/zinc/45/64/74/713456474.db2.gz FFRDYVZOGICFFH-UHFFFAOYSA-N 0 0 342.233 2.856 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1COc2ccccc21 ZINC000804738133 713456590 /nfs/dbraw/zinc/45/65/90/713456590.db2.gz DCMDMAWNFGKGMM-ZDUSSCGKSA-N 0 0 348.196 2.947 10 10 EFCERN CC(C)n1ccc(C(=O)NCc2cc(Br)ccc2O)n1 ZINC000804737916 713456596 /nfs/dbraw/zinc/45/65/96/713456596.db2.gz UZGLPPDYUSDCJK-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN CC[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804740446 713456816 /nfs/dbraw/zinc/45/68/16/713456816.db2.gz HHXIIJZGYICVHF-DGCLKSJQSA-N 0 0 328.206 2.729 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc2nccn21 ZINC000804740200 713456835 /nfs/dbraw/zinc/45/68/35/713456835.db2.gz BOQLWIWXOZYUHE-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN COCCC[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804740617 713457012 /nfs/dbraw/zinc/45/70/12/713457012.db2.gz JVUJMLLHWZXYDV-JTQLQIEISA-N 0 0 330.222 2.834 10 10 EFCERN CC[C@@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804740751 713457072 /nfs/dbraw/zinc/45/70/72/713457072.db2.gz MULCKNNFDSVLLE-ZWNOBZJWSA-N 0 0 342.233 2.976 10 10 EFCERN Cc1nc2ncnn2c(NCc2cc(Br)ccc2O)c1C ZINC000804827451 713488539 /nfs/dbraw/zinc/48/85/39/713488539.db2.gz SNXZNOKBOJOWQC-UHFFFAOYSA-N 0 0 348.204 2.821 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C\c3cncc(C)c3)CC2)cc1 ZINC000255112642 713724362 /nfs/dbraw/zinc/72/43/62/713724362.db2.gz XKZMSLRLRWFXME-BAQGIRSFSA-N 0 0 337.423 2.761 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1[O-] ZINC000188403111 714540015 /nfs/dbraw/zinc/54/00/15/714540015.db2.gz BWEWYICSCGISPS-ZDUSSCGKSA-N 0 0 336.779 2.815 10 10 EFCERN COc1ccc(N2CCCN(C(=O)NCc3cscn3)CC2)cc1 ZINC000051309993 714966712 /nfs/dbraw/zinc/96/67/12/714966712.db2.gz XMAJHMLBVCUEBC-UHFFFAOYSA-N 0 0 346.456 2.574 10 10 EFCERN CCc1cccc2c1N(C(=O)/C=C\c1cncc(C(=O)NC)c1)CCC2 ZINC000255429110 715205575 /nfs/dbraw/zinc/20/55/75/715205575.db2.gz OKFKTMUJLWLROR-KTKRTIGZSA-N 0 0 349.434 2.996 10 10 EFCERN COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000889011103 715302655 /nfs/dbraw/zinc/30/26/55/715302655.db2.gz KBSYNEOPLMKANQ-UHFFFAOYSA-N 0 0 327.428 2.714 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000119839431 715308973 /nfs/dbraw/zinc/30/89/73/715308973.db2.gz MIPDAUOYGHTEIX-UHFFFAOYSA-N 0 0 341.816 2.841 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCCCc2ccccn2)c1 ZINC000178414258 715618495 /nfs/dbraw/zinc/61/84/95/715618495.db2.gz KPHCUALSYKGKCN-ZDUSSCGKSA-N 0 0 329.400 2.789 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000178686026 715859622 /nfs/dbraw/zinc/85/96/22/715859622.db2.gz IAVGRHAGFZOIGT-AWEZNQCLSA-N 0 0 343.475 2.995 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000125723578 716907022 /nfs/dbraw/zinc/90/70/22/716907022.db2.gz KVDQCRKCEIWCOH-PWSUYJOCSA-N 0 0 342.233 2.976 10 10 EFCERN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895273813 723967809 /nfs/dbraw/zinc/96/78/09/723967809.db2.gz DWCPIHDLWIUAOZ-QMTHXVAHSA-N 0 0 330.197 2.762 10 10 EFCERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000255627896 717205499 /nfs/dbraw/zinc/20/54/99/717205499.db2.gz COYZGIGWONPXOE-XYLWRLHESA-N 0 0 334.372 2.785 10 10 EFCERN Cc1cc(O)c(CN2CCC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950597 718558686 /nfs/dbraw/zinc/55/86/86/718558686.db2.gz OVQGXADHMNMUPX-LBPRGKRZSA-N 0 0 331.865 2.611 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)cc1 ZINC000892684218 718655017 /nfs/dbraw/zinc/65/50/17/718655017.db2.gz BXKPBKALYYRJPM-CRAIPNDOSA-N 0 0 344.455 2.882 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CC(C)(C)CO3)C2)cc1 ZINC000892685386 718667857 /nfs/dbraw/zinc/66/78/57/718667857.db2.gz KUMAMGAUDGBAPI-RHSMWYFYSA-N 0 0 332.444 2.595 10 10 EFCERN CSC[C@H]1NC(=O)N(Cc2ccc(N3CCC(C)CC3)cc2)C1=O ZINC000924607954 719254720 /nfs/dbraw/zinc/25/47/20/719254720.db2.gz YUXFPEDXFDNHDE-MRXNPFEDSA-N 0 0 347.484 2.706 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000019678060 719391084 /nfs/dbraw/zinc/39/10/84/719391084.db2.gz BTTYHCNSXGQUOZ-UHFFFAOYSA-N 0 0 334.335 2.602 10 10 EFCERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928709782 724586611 /nfs/dbraw/zinc/58/66/11/724586611.db2.gz LJYXWAPWFWZVND-AWEZNQCLSA-N 0 0 340.395 2.697 10 10 EFCERN CCN1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2F)CC1 ZINC000236998121 719976517 /nfs/dbraw/zinc/97/65/17/719976517.db2.gz ULPRFIGMIJLKNX-UHFFFAOYSA-N 0 0 342.418 2.802 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000894093098 720277131 /nfs/dbraw/zinc/27/71/31/720277131.db2.gz CGSWGAHMLCXLHL-CVEARBPZSA-N 0 0 347.411 2.627 10 10 EFCERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(C)C ZINC000178678914 720364008 /nfs/dbraw/zinc/36/40/08/720364008.db2.gz OCXYEYUJDCQQNY-QGZVFWFLSA-N 0 0 345.418 2.734 10 10 EFCERN COc1cnccc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000187183534 720499868 /nfs/dbraw/zinc/49/98/68/720499868.db2.gz PEBPUKXTMKGAKK-ZDUSSCGKSA-N 0 0 328.416 2.717 10 10 EFCERN COc1ccc(F)cc1CNC(=O)NCc1cccc(OC)c1O ZINC000187904814 720526459 /nfs/dbraw/zinc/52/64/59/720526459.db2.gz YEMLQWZWLSNALH-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Nc1cc(COC)ncn1 ZINC000162507536 720621667 /nfs/dbraw/zinc/62/16/67/720621667.db2.gz OPJXCBZRSAXAIO-UHFFFAOYSA-N 0 0 330.388 2.773 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000123202708 720822105 /nfs/dbraw/zinc/82/21/05/720822105.db2.gz LVLDJLAUPGPDNL-JKSUJKDBSA-N 0 0 346.471 2.763 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000729045352 724806496 /nfs/dbraw/zinc/80/64/96/724806496.db2.gz QKYDNDSIJULMSN-LBPRGKRZSA-N 0 0 345.399 2.679 10 10 EFCERN CCN(CCC(N)=O)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000928825811 724818800 /nfs/dbraw/zinc/81/88/00/724818800.db2.gz DWNGZUDYNGGRMA-UHFFFAOYSA-N 0 0 327.428 2.740 10 10 EFCERN O=C(NCCOC(F)(F)C(F)(F)F)NCc1c(O)cccc1F ZINC000923974548 722596406 /nfs/dbraw/zinc/59/64/06/722596406.db2.gz UYEFIEXCKYAINV-UHFFFAOYSA-N 0 0 346.227 2.502 10 10 EFCERN CN(C)c1ccc(CN(C(=S)NC[C@@H]2CCCO2)C2CC2)cc1 ZINC000917593057 728763044 /nfs/dbraw/zinc/76/30/44/728763044.db2.gz FOJDUAZGNSFDMK-KRWDZBQOSA-N 0 0 333.501 2.771 10 10 EFCERN COC(=O)c1c(CN2CC[C@@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894533330 722774248 /nfs/dbraw/zinc/77/42/48/722774248.db2.gz IBLJBZZAFXIYMC-MRXNPFEDSA-N 0 0 348.418 2.697 10 10 EFCERN COC(=O)N[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000894757016 722837820 /nfs/dbraw/zinc/83/78/20/722837820.db2.gz QKIPEROSHXSJGU-INIZCTEOSA-N 0 0 341.411 2.665 10 10 EFCERN CCc1ncc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)o1 ZINC000894917118 723028023 /nfs/dbraw/zinc/02/80/23/723028023.db2.gz KCRIQPQIHSATBJ-UHFFFAOYSA-N 0 0 345.374 2.944 10 10 EFCERN COC(=O)c1c(CN2CC(C(F)F)C2)c2cc(F)ccc2n1C ZINC000894976624 723041567 /nfs/dbraw/zinc/04/15/67/723041567.db2.gz MDAKIDSUSAJBEO-UHFFFAOYSA-N 0 0 326.318 2.801 10 10 EFCERN COC(=O)c1c(CN2CCC[C@@H]3COC[C@@H]32)c2cc(F)ccc2n1C ZINC000894986671 723045550 /nfs/dbraw/zinc/04/55/50/723045550.db2.gz ZWQDGWVOTHGXBI-PXAZEXFGSA-N 0 0 346.402 2.715 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccn(C2CCCC2)n1 ZINC000181230187 728784575 /nfs/dbraw/zinc/78/45/75/728784575.db2.gz BMLFUTYDWFRCHO-SOFGYWHQSA-N 0 0 327.384 2.739 10 10 EFCERN COC(=O)c1cnc(SCc2cc(C(F)(F)F)nn2C)s1 ZINC000917777281 728786576 /nfs/dbraw/zinc/78/65/76/728786576.db2.gz BVCFNSQNUDTJBR-UHFFFAOYSA-N 0 0 337.348 2.974 10 10 EFCERN COC(=O)c1cnc(SC[C@]23CCCC[C@H]2CC(=O)O3)s1 ZINC000917777948 728786719 /nfs/dbraw/zinc/78/67/19/728786719.db2.gz LZVJFOCUOXCGGC-LKFCYVNXSA-N 0 0 327.427 2.898 10 10 EFCERN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000895057341 723105687 /nfs/dbraw/zinc/10/56/87/723105687.db2.gz LKUHKFOPWMWULK-KRWDZBQOSA-N 0 0 341.398 2.718 10 10 EFCERN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896138891 723155575 /nfs/dbraw/zinc/15/55/75/723155575.db2.gz VWIDWUYRJKGLIN-QMMMGPOBSA-N 0 0 331.397 2.845 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000896162826 723163544 /nfs/dbraw/zinc/16/35/44/723163544.db2.gz IIPFHAABPASHOR-JTQLQIEISA-N 0 0 333.340 2.580 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896162129 723170747 /nfs/dbraw/zinc/17/07/47/723170747.db2.gz AZFYZMBOGODXTD-GXTWGEPZSA-N 0 0 348.443 2.615 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)NCCCSc2nccs2)o1 ZINC000896332987 723252167 /nfs/dbraw/zinc/25/21/67/723252167.db2.gz DNZWGXAHDFNQDG-UHFFFAOYSA-N 0 0 340.426 2.743 10 10 EFCERN COCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727211541 723863977 /nfs/dbraw/zinc/86/39/77/723863977.db2.gz SXUPLIPZXIMJRN-UHFFFAOYSA-N 0 0 333.359 2.996 10 10 EFCERN COc1cc(C)cc(CNc2ccc3c(c2)CCN(C)C3=O)c1O ZINC000895251860 723944121 /nfs/dbraw/zinc/94/41/21/723944121.db2.gz YLNCBAKRGXHGSY-UHFFFAOYSA-N 0 0 326.396 2.949 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c2cc(F)ccc2n1C ZINC000895336194 724044175 /nfs/dbraw/zinc/04/41/75/724044175.db2.gz QJAJZOVUOBRUOU-CHWSQXEVSA-N 0 0 346.402 2.572 10 10 EFCERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897195837 724076230 /nfs/dbraw/zinc/07/62/30/724076230.db2.gz SXJZEAIZBHUPKM-AMKSKSKJSA-N 0 0 345.420 3.000 10 10 EFCERN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895388906 724103821 /nfs/dbraw/zinc/10/38/21/724103821.db2.gz BYNXQVOCUXPTFE-LLVKDONJSA-N 0 0 344.180 2.645 10 10 EFCERN COCc1ncc2c(n1)CCN(Cc1c(O)cc(C)cc1Cl)C2 ZINC000895417284 724125130 /nfs/dbraw/zinc/12/51/30/724125130.db2.gz WHUOYDXMLSFACZ-UHFFFAOYSA-N 0 0 333.819 2.849 10 10 EFCERN CCOC(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895464908 724147427 /nfs/dbraw/zinc/14/74/27/724147427.db2.gz KNBLWUKZPTXKRK-UHFFFAOYSA-N 0 0 349.408 2.728 10 10 EFCERN CCN1C[C@@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000897267431 724156068 /nfs/dbraw/zinc/15/60/68/724156068.db2.gz BGYZRSKSGUTVHD-WDEREUQCSA-N 0 0 334.441 2.867 10 10 EFCERN O=C(NCCOCC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000895610828 724222572 /nfs/dbraw/zinc/22/25/72/724222572.db2.gz KHBBCJKSYDAFEA-UHFFFAOYSA-N 0 0 335.303 2.621 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(C2CC2)CC1 ZINC000895787319 724314064 /nfs/dbraw/zinc/31/40/64/724314064.db2.gz NMCLSDRVPIAATC-UHFFFAOYSA-N 0 0 332.419 2.593 10 10 EFCERN Cc1nccn1C[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895806144 724325740 /nfs/dbraw/zinc/32/57/40/724325740.db2.gz PGRBQCOACLALFF-JTQLQIEISA-N 0 0 345.424 2.884 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895848195 724348330 /nfs/dbraw/zinc/34/83/30/724348330.db2.gz XYERTBSYCBQLJY-QMTHXVAHSA-N 0 0 326.780 2.955 10 10 EFCERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1O ZINC000895867309 724361895 /nfs/dbraw/zinc/36/18/95/724361895.db2.gz VTHSCNRUPYNRSA-JSGCOSHPSA-N 0 0 327.808 2.554 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(C(C)(C)C)no2)c1 ZINC000728978528 724940340 /nfs/dbraw/zinc/94/03/40/724940340.db2.gz RGZJOJHJHZYMSQ-NSHDSACASA-N 0 0 347.415 2.891 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000918745500 728920182 /nfs/dbraw/zinc/92/01/82/728920182.db2.gz MWWQKPVSSBKCBV-RHSMWYFYSA-N 0 0 346.358 2.672 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCCc3cccnc32)c1 ZINC000918745919 728920295 /nfs/dbraw/zinc/92/02/95/728920295.db2.gz UJYUZLIIGYTQMA-HNNXBMFYSA-N 0 0 327.384 2.673 10 10 EFCERN Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1ccc(F)cc1 ZINC000729102001 725433732 /nfs/dbraw/zinc/43/37/32/725433732.db2.gz GCTUYNATWGEEOV-INIZCTEOSA-N 0 0 333.359 2.805 10 10 EFCERN CCc1cc(CN2CCS(=O)(=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000151582834 725783220 /nfs/dbraw/zinc/78/32/20/725783220.db2.gz WARDHBAVSOTJCG-ZDUSSCGKSA-N 0 0 339.501 2.871 10 10 EFCERN C[C@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCS1(=O)=O ZINC000151584058 725783282 /nfs/dbraw/zinc/78/32/82/725783282.db2.gz SXUSRTDJMAGMRD-LBPRGKRZSA-N 0 0 349.452 2.636 10 10 EFCERN C[C@H]1CC(=O)Nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2N1 ZINC000913726286 725837087 /nfs/dbraw/zinc/83/70/87/725837087.db2.gz LRSQAYNUWXCEMN-NSHDSACASA-N 0 0 337.379 2.691 10 10 EFCERN CCn1c(Br)ncc1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726349 725837172 /nfs/dbraw/zinc/83/71/72/725837172.db2.gz NACBLWMVFYKDIP-UHFFFAOYSA-N 0 0 336.189 2.527 10 10 EFCERN O=C(N1Cc2cccc(O)c2C1)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000913726088 725837207 /nfs/dbraw/zinc/83/72/07/725837207.db2.gz HRTHZVQNKWVDIB-UHFFFAOYSA-N 0 0 337.375 2.737 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000913927115 725953323 /nfs/dbraw/zinc/95/33/23/725953323.db2.gz VGKLONPYKCQLSL-SJLPKXTDSA-N 0 0 331.460 2.757 10 10 EFCERN COc1cccc(CNC(=O)NCc2ccn(C3CCCC3)n2)c1O ZINC000152322756 725992888 /nfs/dbraw/zinc/99/28/88/725992888.db2.gz XACCWSDUVITNCV-UHFFFAOYSA-N 0 0 344.415 2.712 10 10 EFCERN COc1cccc(CNS(=O)(=O)c2c(C)sc(C)c2C)c1O ZINC000914153380 726084340 /nfs/dbraw/zinc/08/43/40/726084340.db2.gz ZKXMBDMSBGRNDH-UHFFFAOYSA-N 0 0 341.454 2.866 10 10 EFCERN O=C(NCCCOCCc1ccccc1)NCc1c(O)cccc1F ZINC000914274552 726213963 /nfs/dbraw/zinc/21/39/63/726213963.db2.gz OMQCDAYAMAMURM-UHFFFAOYSA-N 0 0 346.402 2.980 10 10 EFCERN O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000914335478 726241054 /nfs/dbraw/zinc/24/10/54/726241054.db2.gz HRWDLVRUXRLPQS-MJGOQNOKSA-N 0 0 343.471 2.759 10 10 EFCERN Cc1nc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC000074611322 726287849 /nfs/dbraw/zinc/28/78/49/726287849.db2.gz NTBYWCJPUYZBIC-UHFFFAOYSA-N 0 0 342.355 2.589 10 10 EFCERN CCN(CC)c1ccc(CNC(=S)NC[C@@H]2CCCO2)cc1F ZINC000731317611 726840727 /nfs/dbraw/zinc/84/07/27/726840727.db2.gz IHMDGSLMDBOFNH-AWEZNQCLSA-N 0 0 339.480 2.815 10 10 EFCERN Cc1ccc2c(O)c(C(=O)NCc3ccc(N(C)C)cc3)cnc2n1 ZINC000915107427 726871456 /nfs/dbraw/zinc/87/14/56/726871456.db2.gz AVGSQRHCUMWJRL-UHFFFAOYSA-N 0 0 336.395 2.640 10 10 EFCERN COc1ccc(CNS(=O)(=O)CCC(C)(C)C2CC2)c(O)c1 ZINC000915165673 726888114 /nfs/dbraw/zinc/88/81/14/726888114.db2.gz YIPWVJWFRNSPDS-UHFFFAOYSA-N 0 0 327.446 2.647 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)OCCc2ccccc21 ZINC000907274375 726900291 /nfs/dbraw/zinc/90/02/91/726900291.db2.gz PSYPSCBGGKDYNE-RNODOKPDSA-N 0 0 341.407 2.633 10 10 EFCERN C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@H]1C1CC1 ZINC000907350224 726919977 /nfs/dbraw/zinc/91/99/77/726919977.db2.gz ADGIRKPSLIPWHL-DOTOQJQBSA-N 0 0 333.409 3.000 10 10 EFCERN Cc1ccc(C(=O)OCc2noc(Cc3ccccc3)n2)c(O)c1O ZINC000731721350 726922095 /nfs/dbraw/zinc/92/20/95/726922095.db2.gz PNXRYMGVOLOJSK-UHFFFAOYSA-N 0 0 340.335 2.737 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1ccc(N(C)C)cc1 ZINC000907494297 726953850 /nfs/dbraw/zinc/95/38/50/726953850.db2.gz YJXDHZNTHYNMPT-UGSOOPFHSA-N 0 0 338.411 2.518 10 10 EFCERN CN1CCCc2cc(CNC(=O)NC3([C@H]4CCCCO4)CC3)ccc21 ZINC000915390947 726970509 /nfs/dbraw/zinc/97/05/09/726970509.db2.gz WHPTUMIVXSCXEK-GOSISDBHSA-N 0 0 343.471 2.970 10 10 EFCERN COc1cccc(N2CC[C@@H](CNC(=O)C3=CC(=O)CS3)C2)c1 ZINC000732283199 727016019 /nfs/dbraw/zinc/01/60/19/727016019.db2.gz RVRJMKQNOFIBFZ-LBPRGKRZSA-N 0 0 332.425 2.719 10 10 EFCERN CC(C)CN(CC(F)(F)F)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732352755 727025137 /nfs/dbraw/zinc/02/51/37/727025137.db2.gz FSKZCSHYQVNPRG-UHFFFAOYSA-N 0 0 339.335 2.657 10 10 EFCERN COc1ccc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)c(O)c1 ZINC000907926373 727055971 /nfs/dbraw/zinc/05/59/71/727055971.db2.gz OFWAAZSQGSOADH-ZDUSSCGKSA-N 0 0 348.365 2.584 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000915526307 727087553 /nfs/dbraw/zinc/08/75/53/727087553.db2.gz XBHXPUMKPCQOCY-YPMHNXCESA-N 0 0 332.322 2.691 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1C1CCOCC1 ZINC000910943003 727474943 /nfs/dbraw/zinc/47/49/43/727474943.db2.gz JYYYONXSCRJVJF-UHFFFAOYSA-N 0 0 344.411 2.798 10 10 EFCERN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262410 727521008 /nfs/dbraw/zinc/52/10/08/727521008.db2.gz QHIPTERQCKIMEP-BDJLRTHQSA-N 0 0 336.395 2.646 10 10 EFCERN O=C(N[C@H](c1ccccc1)C1(CO)CC=CC1)c1cccc(O)c1O ZINC000911847378 727610774 /nfs/dbraw/zinc/61/07/74/727610774.db2.gz VNCQCFOYTXAQGD-GOSISDBHSA-N 0 0 339.391 2.898 10 10 EFCERN COc1cccc2c1OCC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC000916004549 727647365 /nfs/dbraw/zinc/64/73/65/727647365.db2.gz WSDFBPYLBSTNER-CQSZACIVSA-N 0 0 346.358 2.863 10 10 EFCERN C/C=C/[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912108748 727655085 /nfs/dbraw/zinc/65/50/85/727655085.db2.gz DBWVCSIJPUKTMK-NNTXTVRGSA-N 0 0 330.350 2.581 10 10 EFCERN CO[C@H]1CCCC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000154026385 727692079 /nfs/dbraw/zinc/69/20/79/727692079.db2.gz MEBHJKFDZRSODG-RYUDHWBXSA-N 0 0 329.491 2.882 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccnn2C)cc1 ZINC000916571083 727697245 /nfs/dbraw/zinc/69/72/45/727697245.db2.gz USLSPUUUTIWACK-UHFFFAOYSA-N 0 0 329.448 2.608 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)c(O)c1O ZINC000912349233 727698088 /nfs/dbraw/zinc/69/80/88/727698088.db2.gz ADVSKEPLQDGCQH-CQSZACIVSA-N 0 0 349.390 2.979 10 10 EFCERN Cc1ccccc1SCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000916591274 727699105 /nfs/dbraw/zinc/69/91/05/727699105.db2.gz DMUPUKGHIULGEA-UHFFFAOYSA-N 0 0 332.377 2.924 10 10 EFCERN C[C@H](CO)[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912394527 727705106 /nfs/dbraw/zinc/70/51/06/727705106.db2.gz LUWLPEXLMIZHGP-ZYHUDNBSSA-N 0 0 335.425 2.936 10 10 EFCERN CNc1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000154126002 727717193 /nfs/dbraw/zinc/71/71/93/727717193.db2.gz ATUHUIQZJMMSBZ-CYBMUJFWSA-N 0 0 347.440 2.712 10 10 EFCERN COc1ccccc1OCCCNC(=O)NCc1c(O)cccc1F ZINC000916752769 727735778 /nfs/dbraw/zinc/73/57/78/727735778.db2.gz DHOHVKFLSSPHPD-UHFFFAOYSA-N 0 0 348.374 2.808 10 10 EFCERN CN=[S@](C)(=O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000912795707 727745432 /nfs/dbraw/zinc/74/54/32/727745432.db2.gz QZEIDAPYONBNDU-JOCHJYFZSA-N 0 0 339.486 2.613 10 10 EFCERN CC[S@](=O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000733878112 727758772 /nfs/dbraw/zinc/75/87/72/727758772.db2.gz FJSIHACHQCEWLI-QHCPKHFHSA-N 0 0 336.432 2.732 10 10 EFCERN CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000733964145 727807370 /nfs/dbraw/zinc/80/73/70/727807370.db2.gz XUBKDOBMKHQRFD-HSZRJFAPSA-N 0 0 332.469 2.901 10 10 EFCERN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)C(C)(C)C3)c2c1 ZINC000151417239 727857658 /nfs/dbraw/zinc/85/76/58/727857658.db2.gz WHDNFMJZYKQAQU-UHFFFAOYSA-N 0 0 349.452 2.563 10 10 EFCERN CC(C)n1nnnc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000157568928 728162535 /nfs/dbraw/zinc/16/25/35/728162535.db2.gz VVOXQFXBNYWTOX-UHFFFAOYSA-N 0 0 328.464 2.876 10 10 EFCERN CC1=NN(Cc2ccccc2Cl)C(=O)C1=C(N)N1CCC(C)CC1 ZINC000170602617 728452575 /nfs/dbraw/zinc/45/25/75/728452575.db2.gz UWIMECBGRINZJV-MSUUIHNZSA-N 0 0 346.862 2.960 10 10 EFCERN O=C(N[C@H]1CCCOC1)N(Cc1ccco1)Cc1ccccc1O ZINC000171613011 728543916 /nfs/dbraw/zinc/54/39/16/728543916.db2.gz SMUOMXZQQJBLDU-HNNXBMFYSA-N 0 0 330.384 2.876 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000171646336 728546939 /nfs/dbraw/zinc/54/69/39/728546939.db2.gz MITKBSZSFXNXOE-UHFFFAOYSA-N 0 0 330.476 2.522 10 10 EFCERN C[C@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000920043405 729129095 /nfs/dbraw/zinc/12/90/95/729129095.db2.gz HXJXBYOEENDJBV-MELADBBJSA-N 0 0 335.423 2.743 10 10 EFCERN O=C1OC(c2ccsc2)=N/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000920393081 729182141 /nfs/dbraw/zinc/18/21/41/729182141.db2.gz ZVRLZPKJRSEGEK-WJDWOHSUSA-N 0 0 340.404 2.929 10 10 EFCERN O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1c(O)cccc1F ZINC000921450849 729460526 /nfs/dbraw/zinc/46/05/26/729460526.db2.gz GJODQQIOFSYSEG-JTQLQIEISA-N 0 0 337.363 2.776 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000175380107 729498984 /nfs/dbraw/zinc/49/89/84/729498984.db2.gz WMAOZJDLKQZIML-SNVBAGLBSA-N 0 0 336.413 2.803 10 10 EFCERN CCc1onc(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000170874438 729694892 /nfs/dbraw/zinc/69/48/92/729694892.db2.gz POIAFHTUGMJMSS-UHFFFAOYSA-N 0 0 343.427 2.654 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(-n3cc(C)cn3)cc2)c1O ZINC000068489300 729705418 /nfs/dbraw/zinc/70/54/18/729705418.db2.gz HKJJTXHDFJKQPD-UHFFFAOYSA-N 0 0 337.379 2.825 10 10 EFCERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1O ZINC000245856247 729709682 /nfs/dbraw/zinc/70/96/82/729709682.db2.gz DPEZIRQMYKFVEG-RISCZKNCSA-N 0 0 325.250 2.823 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)nc1 ZINC000180617308 729762328 /nfs/dbraw/zinc/76/23/28/729762328.db2.gz ZPJWPIROVIQRCA-XBXARRHUSA-N 0 0 325.368 2.745 10 10 EFCERN CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180648459 729762842 /nfs/dbraw/zinc/76/28/42/729762842.db2.gz YTCPZKPGYPVRBN-CSKARUKUSA-N 0 0 340.379 2.888 10 10 EFCERN C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000865714940 1126114592 /nfs/dbraw/zinc/11/45/92/1126114592.db2.gz GMOAKKLDIWWULX-QGZVFWFLSA-N 0 0 334.347 2.523 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001569486354 1085293359 /nfs/dbraw/zinc/29/33/59/1085293359.db2.gz WECTWYKLLXKSMW-QGZVFWFLSA-N 0 0 347.798 2.894 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc(-c2ccccn2)s1 ZINC001570462183 1086257300 /nfs/dbraw/zinc/25/73/00/1086257300.db2.gz HVWBOHJLBZTKDU-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1cnc2cc(C(=O)NCc3ccc4cccnc4c3O)ccn12 ZINC001570533597 1086325332 /nfs/dbraw/zinc/32/53/32/1086325332.db2.gz JKKGQCBQJKCFCA-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN CC(=O)N(C)CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001573252209 1087722613 /nfs/dbraw/zinc/72/26/13/1087722613.db2.gz GFLAWCGBZZIPRX-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN CCC(CC)CC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575393352 1088438883 /nfs/dbraw/zinc/43/88/83/1088438883.db2.gz BEEXRPKOWHGTIH-UHFFFAOYSA-N 0 0 347.419 2.521 10 10 EFCERN CC(C)Cn1ncc(C(=O)NCc2c(O)cccc2O)c1C(F)F ZINC001647270501 1089187763 /nfs/dbraw/zinc/18/77/63/1089187763.db2.gz UARCUPIHTNWTIH-UHFFFAOYSA-N 0 0 339.342 2.818 10 10 EFCERN CC(C)C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001647269553 1089188122 /nfs/dbraw/zinc/18/81/22/1089188122.db2.gz HUQCELDRCJAZBM-UHFFFAOYSA-N 0 0 328.368 2.622 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001647289403 1089216310 /nfs/dbraw/zinc/21/63/10/1089216310.db2.gz BZXYSRBQHBAMEC-GFCCVEGCSA-N 0 0 346.814 2.894 10 10 EFCERN O=C(CCCn1ccccc1=O)NCc1c(O)ccc2ccccc21 ZINC001647791025 1089879460 /nfs/dbraw/zinc/87/94/60/1089879460.db2.gz GYPXZBGCOGBFIA-UHFFFAOYSA-N 0 0 336.391 2.804 10 10 EFCERN O=C(C[C@H]1C(=O)Nc2c1cccc2F)NCc1cccc(Cl)c1O ZINC001647830230 1089888318 /nfs/dbraw/zinc/88/83/18/1089888318.db2.gz OKJUEEAEBHGFJD-LLVKDONJSA-N 0 0 348.761 2.927 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-n2ccnc2)nc1 ZINC001647826990 1089888433 /nfs/dbraw/zinc/88/84/33/1089888433.db2.gz RLRMHJVDCNNWRD-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN O=C(Nc1cc(C(=O)OCc2ccccc2)n[nH]1)C1=CC(=O)CS1 ZINC001648343214 1089986561 /nfs/dbraw/zinc/98/65/61/1089986561.db2.gz YMDJLYCAJHXXIE-UHFFFAOYSA-N 0 0 343.364 2.786 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2csnn2)cc1 ZINC001583081842 1091895477 /nfs/dbraw/zinc/89/54/77/1091895477.db2.gz CPLVSYRCCNACTA-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN COc1ccc(C=O)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001583750826 1092064383 /nfs/dbraw/zinc/06/43/83/1092064383.db2.gz CKBWMTWGOPLOGW-UHFFFAOYSA-N 0 0 330.359 2.643 10 10 EFCERN CN(CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1[N+](=O)[O-] ZINC001583820848 1092072196 /nfs/dbraw/zinc/07/21/96/1092072196.db2.gz OGMJVTRZSBDDMC-UHFFFAOYSA-N 0 0 349.774 2.706 10 10 EFCERN Cc1cc2ncc(C(=O)NCc3cc(Cl)ccc3O)c(C)n2n1 ZINC001583817306 1092072628 /nfs/dbraw/zinc/07/26/28/1092072628.db2.gz QIQGKPCASBMEEG-UHFFFAOYSA-N 0 0 330.775 2.635 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001648606675 1092238390 /nfs/dbraw/zinc/23/83/90/1092238390.db2.gz VOGOXFFTXYCLFY-OAHLLOKOSA-N 0 0 348.761 2.994 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC001648695421 1092255543 /nfs/dbraw/zinc/25/55/43/1092255543.db2.gz UROCIFGFUVUZAY-UHFFFAOYSA-N 0 0 346.814 2.993 10 10 EFCERN COc1ncc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)cn1 ZINC001584946867 1092335309 /nfs/dbraw/zinc/33/53/09/1092335309.db2.gz KCMSXAOKEKZGFG-UMBAGQNISA-N 0 0 347.321 2.591 10 10 EFCERN O=C(NCCNc1nc2ccccc2s1)c1c(F)ccc(O)c1O ZINC001649395755 1092446016 /nfs/dbraw/zinc/44/60/16/1092446016.db2.gz GQOUCOPALSCRPM-UHFFFAOYSA-N 0 0 347.371 2.689 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2nsnc21 ZINC001586832307 1092762540 /nfs/dbraw/zinc/76/25/40/1092762540.db2.gz MMXCXLAUTFAPPH-UHFFFAOYSA-N 0 0 340.408 2.797 10 10 EFCERN CCS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001587445272 1092813055 /nfs/dbraw/zinc/81/30/55/1092813055.db2.gz YPEHVPFQCYTPQV-GFCCVEGCSA-N 0 0 333.409 2.677 10 10 EFCERN CNC(=O)Nc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001587967299 1092875257 /nfs/dbraw/zinc/87/52/57/1092875257.db2.gz BULNKHYCGXJNQR-UHFFFAOYSA-N 0 0 340.343 2.853 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001588156416 1092899286 /nfs/dbraw/zinc/89/92/86/1092899286.db2.gz ZIENUVYCFPOQSS-KBPBESRZSA-N 0 0 334.416 2.511 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001588156383 1092899553 /nfs/dbraw/zinc/89/95/53/1092899553.db2.gz XQMLVRINNKIJPZ-UHFFFAOYSA-N 0 0 346.770 2.649 10 10 EFCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)Cc2cncnc21 ZINC001588250003 1092908812 /nfs/dbraw/zinc/90/88/12/1092908812.db2.gz HCIOWUIIRURVAZ-VIFPVBQESA-N 0 0 341.392 2.862 10 10 EFCERN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1[NH3+] ZINC000708089375 1092972544 /nfs/dbraw/zinc/97/25/44/1092972544.db2.gz LUKHDKFVVFUBHQ-PELKAZGASA-N 0 0 333.657 2.977 10 10 EFCERN C[C@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708089177 1092972669 /nfs/dbraw/zinc/97/26/69/1092972669.db2.gz KKBNKKQOCHHGTL-KWQFWETISA-N 0 0 333.657 2.977 10 10 EFCERN CCN(CC)c1ccc(/C=C(\CN2CCC(=O)CC2)C(=O)OC)cc1 ZINC000588566274 1093210142 /nfs/dbraw/zinc/21/01/42/1093210142.db2.gz WDSZIWAXTGZTDV-SAPNQHFASA-N 0 0 344.455 2.754 10 10 EFCERN CS(C)(=O)=Nc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001650675160 1093481371 /nfs/dbraw/zinc/48/13/71/1093481371.db2.gz SRUFEIYYSJZOIQ-UHFFFAOYSA-N 0 0 330.409 2.907 10 10 EFCERN O=c1[nH]c2nc(Cl)nc(NCCCSc3nccs3)c2[nH]1 ZINC001650728996 1093487829 /nfs/dbraw/zinc/48/78/29/1093487829.db2.gz YFSXVZXYIQJBRO-UHFFFAOYSA-N 0 0 342.837 2.763 10 10 EFCERN CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(=O)[nH]1 ZINC001651186081 1093537059 /nfs/dbraw/zinc/53/70/59/1093537059.db2.gz XQXAHBSRKSRJEW-UHFFFAOYSA-N 0 0 334.347 2.565 10 10 EFCERN COc1cc(C(=O)NCc2cc(O)ccc2O)ccc1OC(F)F ZINC001651222278 1093541178 /nfs/dbraw/zinc/54/11/78/1093541178.db2.gz DIEIJTIVCKKJCJ-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1-c1ccccn1 ZINC001651222972 1093541439 /nfs/dbraw/zinc/54/14/39/1093541439.db2.gz UZPXJTBKQLACIZ-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN CCN(CC(=O)NCc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001651225544 1093542003 /nfs/dbraw/zinc/54/20/03/1093542003.db2.gz OBGBHTAXYYUICS-UHFFFAOYSA-N 0 0 348.830 2.890 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(Br)cc1F ZINC001593739146 1094410130 /nfs/dbraw/zinc/41/01/30/1094410130.db2.gz GTZVOXUWNYDFMZ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001594233981 1094422010 /nfs/dbraw/zinc/42/20/10/1094422010.db2.gz KFCNJWZMWNTNHF-AULYBMBSSA-N 0 0 346.387 2.699 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001595595289 1094478340 /nfs/dbraw/zinc/47/83/40/1094478340.db2.gz ANXBHIFCGAVGLN-OAHLLOKOSA-N 0 0 335.306 2.814 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1(c2ccnc3ccccc32)CC1 ZINC001595595570 1094478645 /nfs/dbraw/zinc/47/86/45/1094478645.db2.gz GCHSLKLEXQVODF-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN Nc1c(C(=O)NCc2ccc(O)c(O)c2)ccnc1-c1ccccc1 ZINC001595596236 1094480294 /nfs/dbraw/zinc/48/02/94/1094480294.db2.gz RVLDWNOHJKHWQW-UHFFFAOYSA-N 0 0 335.363 2.672 10 10 EFCERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001595666402 1094482813 /nfs/dbraw/zinc/48/28/13/1094482813.db2.gz FHRHKQREKRZFEI-VIFPVBQESA-N 0 0 343.408 2.870 10 10 EFCERN COc1cccc(CNC(=O)c2ncc(C(F)(F)F)s2)c1O ZINC001595799913 1094495400 /nfs/dbraw/zinc/49/54/00/1094495400.db2.gz JHBRTFLTYCPEOM-UHFFFAOYSA-N 0 0 332.303 2.806 10 10 EFCERN COc1cccc(CNC(=O)c2ncccc2-c2ccccn2)c1O ZINC001595799980 1094495593 /nfs/dbraw/zinc/49/55/93/1094495593.db2.gz MPLHKGQXHMUIJB-UHFFFAOYSA-N 0 0 335.363 2.788 10 10 EFCERN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC001595800511 1094495627 /nfs/dbraw/zinc/49/56/27/1094495627.db2.gz XQAFJUKTGZGWMG-GJZGRUSLSA-N 0 0 342.351 2.729 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1ncon1 ZINC001596423382 1094531059 /nfs/dbraw/zinc/53/10/59/1094531059.db2.gz OAPSPSLJFAZDHP-LBPRGKRZSA-N 0 0 338.367 2.781 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2c(c1)SCC(=O)N2 ZINC001596911663 1094552051 /nfs/dbraw/zinc/55/20/51/1094552051.db2.gz IQHLOHTYABFAGT-UHFFFAOYSA-N 0 0 332.356 2.506 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1c(O)cnc2c(F)cccc21 ZINC001596916332 1094552678 /nfs/dbraw/zinc/55/26/78/1094552678.db2.gz DWYHMBNGJJEXCA-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN Cn1nc(-c2ccccc2)cc1C(=O)NCc1c(O)cccc1F ZINC001596916626 1094553416 /nfs/dbraw/zinc/55/34/16/1094553416.db2.gz KDLSONYYFCGARN-UHFFFAOYSA-N 0 0 325.343 2.862 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C)[C@H](C)O1 ZINC000782952485 1094557340 /nfs/dbraw/zinc/55/73/40/1094557340.db2.gz CCUAIWZZLFAFHB-KFWWJZLASA-N 0 0 331.460 2.776 10 10 EFCERN Cc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N)cc1F ZINC001597004754 1094558581 /nfs/dbraw/zinc/55/85/81/1094558581.db2.gz VTNVVWSILMJITL-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001597089256 1094565051 /nfs/dbraw/zinc/56/50/51/1094565051.db2.gz WBLMARFVPMYZIZ-SJORKVTESA-N 0 0 326.396 2.776 10 10 EFCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](c2ccccc2)O1 ZINC001597306305 1094578215 /nfs/dbraw/zinc/57/82/15/1094578215.db2.gz WIWVLWZYFIXVQR-FZKQIMNGSA-N 0 0 327.380 2.629 10 10 EFCERN CCOCCOCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001597319750 1094580149 /nfs/dbraw/zinc/58/01/49/1094580149.db2.gz RUHLTPGKFFFVRK-UHFFFAOYSA-N 0 0 336.457 2.939 10 10 EFCERN Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccc(C)cc1 ZINC001597569724 1094599844 /nfs/dbraw/zinc/59/98/44/1094599844.db2.gz RHANHAFYVURFAZ-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C(\C)C1CC1 ZINC001597567786 1094600931 /nfs/dbraw/zinc/60/09/31/1094600931.db2.gz WLCNZTFSMJPUAQ-YRNVUSSQSA-N 0 0 337.803 2.904 10 10 EFCERN COc1ccc(CCCC(=O)NCc2c(O)cccc2O)cc1OC ZINC001597579811 1094603346 /nfs/dbraw/zinc/60/33/46/1094603346.db2.gz SKDSQXKYWMFUOG-UHFFFAOYSA-N 0 0 345.395 2.754 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCN(CC2CC2)c2ccccc21 ZINC001620977138 1094607058 /nfs/dbraw/zinc/60/70/58/1094607058.db2.gz FZTFQOSELFHYEH-UHFFFAOYSA-N 0 0 338.407 2.904 10 10 EFCERN COc1ccc([C@H](OC)[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001597768371 1094621507 /nfs/dbraw/zinc/62/15/07/1094621507.db2.gz AHGXPXPHENUFON-CWTRNNRKSA-N 0 0 345.395 2.541 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCN(C/C=C\Cl)C2CC2)cc1 ZINC001481199099 1095275992 /nfs/dbraw/zinc/27/59/92/1095275992.db2.gz DLRSCVGCEFTFLO-PTLFCZQLSA-N 0 0 349.822 2.796 10 10 EFCERN CC[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1c(C)noc1C ZINC000783360264 1096960331 /nfs/dbraw/zinc/96/03/31/1096960331.db2.gz VDURJPYVVHASJZ-GFCCVEGCSA-N 0 0 333.340 2.622 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2nncn2C)ccc1C ZINC001611365381 1099005096 /nfs/dbraw/zinc/00/50/96/1099005096.db2.gz JCOJGQZHSMNFMJ-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN O=C(COC(=O)c1c[nH]c2cc(F)ccc12)c1ccc(O)c(O)c1 ZINC000783139347 1099052941 /nfs/dbraw/zinc/05/29/41/1099052941.db2.gz BAZDIYSYSGUCMO-UHFFFAOYSA-N 0 0 329.283 2.758 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001612462123 1099059313 /nfs/dbraw/zinc/05/93/13/1099059313.db2.gz RBIRKTFLMRXJSI-CHULQOHASA-N 0 0 338.310 2.872 10 10 EFCERN O=[N+]([O-])c1cnc(NCc2cc(O)ccc2O)c(Br)c1 ZINC001612844290 1099081406 /nfs/dbraw/zinc/08/14/06/1099081406.db2.gz HTUYGDJREFIXTC-UHFFFAOYSA-N 0 0 340.133 2.776 10 10 EFCERN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cnccn1 ZINC001613363635 1099096573 /nfs/dbraw/zinc/09/65/73/1099096573.db2.gz AFEVKWWGWUNYDS-UHFFFAOYSA-N 0 0 325.397 2.608 10 10 EFCERN COC(=O)c1cnc(SCc2cccc(S(C)(=O)=O)c2)s1 ZINC001613811625 1099108567 /nfs/dbraw/zinc/10/85/67/1099108567.db2.gz CMNSVTUUURQVPJ-UHFFFAOYSA-N 0 0 343.451 2.626 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1OCCC1(C)C ZINC001613923666 1099111923 /nfs/dbraw/zinc/11/19/23/1099111923.db2.gz ZQWNWHWTMXMEIA-INIZCTEOSA-N 0 0 344.459 2.998 10 10 EFCERN Cc1nnc(COc2ccc(NC(=O)C3=CC(=O)CS3)cc2)o1 ZINC001616371106 1099176798 /nfs/dbraw/zinc/17/67/98/1099176798.db2.gz DEKQLSPSHJJMOJ-UHFFFAOYSA-N 0 0 331.353 2.976 10 10 EFCERN COc1nsc(OC)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001616834305 1099196256 /nfs/dbraw/zinc/19/62/56/1099196256.db2.gz CADWMTVZDGJXFG-JTQLQIEISA-N 0 0 335.429 2.717 10 10 EFCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@H]2CCc3ccccc32)c1 ZINC000783152931 1099201970 /nfs/dbraw/zinc/20/19/70/1099201970.db2.gz SACDGOIKIYRRMU-INIZCTEOSA-N 0 0 347.392 2.608 10 10 EFCERN CCOc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CCO2 ZINC001616990972 1099206057 /nfs/dbraw/zinc/20/60/57/1099206057.db2.gz AAKGTUXMKQRMJP-HNNXBMFYSA-N 0 0 343.379 2.679 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(N=S(C)(C)=O)cc2)c(O)c1 ZINC001617762771 1099259378 /nfs/dbraw/zinc/25/93/78/1099259378.db2.gz MHZQUTODSAJVBQ-UHFFFAOYSA-N 0 0 348.424 2.690 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)cc1 ZINC001618640862 1099309947 /nfs/dbraw/zinc/30/99/47/1099309947.db2.gz FGPRQIOFEOAVNU-UHFFFAOYSA-N 0 0 337.339 2.838 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnn1CC1CCC1 ZINC001126083205 1099405630 /nfs/dbraw/zinc/40/56/30/1099405630.db2.gz WFSBJKWBPRNDGF-UHFFFAOYSA-N 0 0 326.444 2.988 10 10 EFCERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001622096696 1099475518 /nfs/dbraw/zinc/47/55/18/1099475518.db2.gz WXKSOOKKBNIXRB-MRXNPFEDSA-N 0 0 340.423 2.898 10 10 EFCERN CO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001622225304 1099490632 /nfs/dbraw/zinc/49/06/32/1099490632.db2.gz PFGVFUSEZRQBKZ-INIZCTEOSA-N 0 0 335.787 2.798 10 10 EFCERN Cn1cc(C=O)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001622310059 1099500004 /nfs/dbraw/zinc/50/00/04/1099500004.db2.gz REIRHHCWOUSEPK-UHFFFAOYSA-N 0 0 338.363 2.979 10 10 EFCERN CC(=O)c1cccc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1 ZINC001622324884 1099500543 /nfs/dbraw/zinc/50/05/43/1099500543.db2.gz DKSFKQMLLVRUSR-UHFFFAOYSA-N 0 0 339.800 2.727 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnc2cc(F)c(F)cc2c1O ZINC001622317246 1099501184 /nfs/dbraw/zinc/50/11/84/1099501184.db2.gz DAPCMAHNBQRLAP-UHFFFAOYSA-N 0 0 344.317 2.784 10 10 EFCERN C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1c(F)cccc1Cl ZINC001622547272 1099523830 /nfs/dbraw/zinc/52/38/30/1099523830.db2.gz WNLKLVMVUZTJLX-CLAHSXSESA-N 0 0 339.750 2.742 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1F ZINC001622579184 1099526906 /nfs/dbraw/zinc/52/69/06/1099526906.db2.gz RXCGBOAORXYUJG-UHFFFAOYSA-N 0 0 348.349 2.641 10 10 EFCERN CC(=O)Nc1cnccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001622664629 1099535159 /nfs/dbraw/zinc/53/51/59/1099535159.db2.gz ZZJVOCCGHBFYGM-UHFFFAOYSA-N 0 0 339.395 2.554 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC001623124341 1099561070 /nfs/dbraw/zinc/56/10/70/1099561070.db2.gz KBFYMBLXANHSAN-ZNMIVQPWSA-N 0 0 342.399 2.927 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001623213301 1099566302 /nfs/dbraw/zinc/56/63/02/1099566302.db2.gz NDWJZSMHXWNKCA-RDJZCZTQSA-N 0 0 341.407 2.924 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cc3nnc[nH]3)cc2)cc1 ZINC001623386818 1099581680 /nfs/dbraw/zinc/58/16/80/1099581680.db2.gz LOPPNPDPIKKRRA-UHFFFAOYSA-N 0 0 349.438 2.734 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001623573835 1099603156 /nfs/dbraw/zinc/60/31/56/1099603156.db2.gz FXHVCHVAZRZZGB-UHFFFAOYSA-N 0 0 339.319 2.855 10 10 EFCERN CNC(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001624013314 1099651607 /nfs/dbraw/zinc/65/16/07/1099651607.db2.gz HZPUPGKNAWQEQN-UHFFFAOYSA-N 0 0 342.376 2.924 10 10 EFCERN COC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001624077326 1099657944 /nfs/dbraw/zinc/65/79/44/1099657944.db2.gz OFCGWBVVEKIJFX-UHFFFAOYSA-N 0 0 326.312 2.888 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](O)[C@@H]2C)CCCC1 ZINC001624240162 1099673937 /nfs/dbraw/zinc/67/39/37/1099673937.db2.gz AWBIUUIIBGHHKN-DJJJIMSYSA-N 0 0 342.439 2.510 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)cc1 ZINC001624295288 1099680448 /nfs/dbraw/zinc/68/04/48/1099680448.db2.gz YBEXKJNOTLDHDL-MRXNPFEDSA-N 0 0 338.367 2.581 10 10 EFCERN CN(C)C(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001624304775 1099681948 /nfs/dbraw/zinc/68/19/48/1099681948.db2.gz ADXUGONKYAIKEG-UHFFFAOYSA-N 0 0 348.786 2.634 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCCC2)cc1 ZINC001624321672 1099682943 /nfs/dbraw/zinc/68/29/43/1099682943.db2.gz GMQKFVOVNNOGPK-UHFFFAOYSA-N 0 0 326.396 2.557 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)(OC)C2)CCCC1 ZINC001624467256 1099696136 /nfs/dbraw/zinc/69/61/36/1099696136.db2.gz PDFAIIKNTBZSJJ-UHFFFAOYSA-N 0 0 342.439 2.776 10 10 EFCERN COc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001624626627 1099713019 /nfs/dbraw/zinc/71/30/19/1099713019.db2.gz ULVIHEQHLXAVSR-UHFFFAOYSA-N 0 0 325.412 2.963 10 10 EFCERN Cc1cc[nH]c(=O)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624626373 1099713029 /nfs/dbraw/zinc/71/30/29/1099713029.db2.gz PFHVDSINUORTNC-UHFFFAOYSA-N 0 0 325.412 2.968 10 10 EFCERN CCc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001624626700 1099713249 /nfs/dbraw/zinc/71/32/49/1099713249.db2.gz VUZZKUFFOHZPEE-UHFFFAOYSA-N 0 0 326.444 2.855 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1OCCc2sccc21 ZINC001625668640 1099838113 /nfs/dbraw/zinc/83/81/13/1099838113.db2.gz OTOJWJSDTRMFSQ-BTDLBPIBSA-N 0 0 333.409 2.521 10 10 EFCERN CC(C)c1ccc(OCCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001625715348 1099842641 /nfs/dbraw/zinc/84/26/41/1099842641.db2.gz FKTXOYIAOWPHTM-UHFFFAOYSA-N 0 0 329.396 2.959 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001626413856 1099871775 /nfs/dbraw/zinc/87/17/75/1099871775.db2.gz BYSNSXWDFJUWSP-KXFIGUGUSA-N 0 0 340.314 2.674 10 10 EFCERN C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626922831 1099936491 /nfs/dbraw/zinc/93/64/91/1099936491.db2.gz ZJDHIIQUJDTACM-CYBMUJFWSA-N 0 0 340.383 2.872 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc3cc[nH]c(=O)c3s2)cc1F ZINC001627045932 1099952503 /nfs/dbraw/zinc/95/25/03/1099952503.db2.gz IMNKEXSLWUIFNY-UHFFFAOYSA-N 0 0 345.399 2.725 10 10 EFCERN Cn1cc(-c2ccc(C(=O)NCc3ccc4cccnc4c3O)o2)cn1 ZINC001627072578 1099953435 /nfs/dbraw/zinc/95/34/35/1099953435.db2.gz BMFRLZKTGIZSFX-UHFFFAOYSA-N 0 0 348.362 2.864 10 10 EFCERN COc1ccc(C=O)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001627073787 1099953537 /nfs/dbraw/zinc/95/35/37/1099953537.db2.gz UUDNVKCWGTVEGP-UHFFFAOYSA-N 0 0 336.347 2.692 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(Br)c[nH]1 ZINC001627069625 1099954520 /nfs/dbraw/zinc/95/45/20/1099954520.db2.gz QYNAMUHABAOUIV-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN Cc1csc(CCC(=O)NCc2ccc3cccnc3c2O)n1 ZINC001627073443 1099954689 /nfs/dbraw/zinc/95/46/89/1099954689.db2.gz NPYCRYSCSBJWJF-UHFFFAOYSA-N 0 0 327.409 2.954 10 10 EFCERN CC(C)COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccco1 ZINC001627607587 1100015033 /nfs/dbraw/zinc/01/50/33/1100015033.db2.gz RDGBGYIWYIIONC-CQSZACIVSA-N 0 0 333.384 2.763 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OC2CCCC2)nc1 ZINC001627626248 1100016506 /nfs/dbraw/zinc/01/65/06/1100016506.db2.gz VUHXCHMEMIDFPN-UHFFFAOYSA-N 0 0 328.368 2.995 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1(CO)CCC1 ZINC001627661368 1100020786 /nfs/dbraw/zinc/02/07/86/1100020786.db2.gz CPVPTPWPNLCJNE-IBGZPJMESA-N 0 0 341.407 2.660 10 10 EFCERN CO[C@@](C)(CO)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001628095467 1100062384 /nfs/dbraw/zinc/06/23/84/1100062384.db2.gz GIEWKVIMGFMNEY-LJQANCHMSA-N 0 0 330.428 2.530 10 10 EFCERN COc1cc(C)c(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001628646273 1100121076 /nfs/dbraw/zinc/12/10/76/1100121076.db2.gz MNYRZVWFZRUDQV-UHFFFAOYSA-N 0 0 345.395 2.625 10 10 EFCERN CC(=O)Nc1ccccc1CC(=O)NCc1cc(Cl)ccc1O ZINC001628667161 1100122391 /nfs/dbraw/zinc/12/23/91/1100122391.db2.gz PWAVXGWVBLTVND-UHFFFAOYSA-N 0 0 332.787 2.863 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001628666385 1100122727 /nfs/dbraw/zinc/12/27/27/1100122727.db2.gz BXQXKMJOKYHICD-MRXNPFEDSA-N 0 0 348.761 2.994 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=C[S@](=O)CCC1 ZINC001628954076 1100151545 /nfs/dbraw/zinc/15/15/45/1100151545.db2.gz AYTKIIIQDNQKDZ-HSZRJFAPSA-N 0 0 332.469 2.672 10 10 EFCERN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001629059717 1100166132 /nfs/dbraw/zinc/16/61/32/1100166132.db2.gz WRZRLSKAHKZHOL-QGZVFWFLSA-N 0 0 340.423 2.768 10 10 EFCERN CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001629245890 1100186461 /nfs/dbraw/zinc/18/64/61/1100186461.db2.gz FENTVGBYGZAVMN-UHFFFAOYSA-N 0 0 342.395 2.665 10 10 EFCERN COc1ccc(OC)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001629433063 1100210701 /nfs/dbraw/zinc/21/07/01/1100210701.db2.gz DPUHRHQHHOKCGX-UHFFFAOYSA-N 0 0 342.355 2.796 10 10 EFCERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001629634920 1100230717 /nfs/dbraw/zinc/23/07/17/1100230717.db2.gz JDGFNWKXTRSXIM-AWEZNQCLSA-N 0 0 349.427 2.611 10 10 EFCERN CN(C)c1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001629697454 1100237698 /nfs/dbraw/zinc/23/76/98/1100237698.db2.gz HQXIDMDGYQMFBC-UHFFFAOYSA-N 0 0 340.423 2.898 10 10 EFCERN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(=O)n(C)c1 ZINC001629778737 1100246592 /nfs/dbraw/zinc/24/65/92/1100246592.db2.gz SRKBDBKYVPGCBV-UHFFFAOYSA-N 0 0 330.365 2.572 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ncc2c(F)cccn21 ZINC001630277586 1100289898 /nfs/dbraw/zinc/28/98/98/1100289898.db2.gz CKNJVLDJSBOEDV-UHFFFAOYSA-N 0 0 339.370 2.988 10 10 EFCERN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(O)cc3O)c12 ZINC001630302238 1100292339 /nfs/dbraw/zinc/29/23/39/1100292339.db2.gz TZEPHHJRKRJBBI-UHFFFAOYSA-N 0 0 339.351 2.750 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncnc3sccc32)c1 ZINC001630366422 1100298318 /nfs/dbraw/zinc/29/83/18/1100298318.db2.gz PMXFGJQEBQYDPI-SECBINFHSA-N 0 0 329.381 2.897 10 10 EFCERN COc1cccc(CNC(=O)c2scnc2C(F)(F)F)c1O ZINC001630366424 1100298605 /nfs/dbraw/zinc/29/86/05/1100298605.db2.gz PNJZLWMMDQYTQE-UHFFFAOYSA-N 0 0 332.303 2.806 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2nc3cnccc3s2)c1 ZINC001630366886 1100298646 /nfs/dbraw/zinc/29/86/46/1100298646.db2.gz YVRATYGWOIVRMP-SECBINFHSA-N 0 0 329.381 2.897 10 10 EFCERN CNC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001630372490 1100299781 /nfs/dbraw/zinc/29/97/81/1100299781.db2.gz JISYVPRCXYLTLB-NSHDSACASA-N 0 0 343.383 2.643 10 10 EFCERN COC(=O)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001630453357 1100307380 /nfs/dbraw/zinc/30/73/80/1100307380.db2.gz QJUVOBIDLLTVJU-UHFFFAOYSA-N 0 0 346.387 2.845 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccncc1Cl ZINC001630480822 1100309754 /nfs/dbraw/zinc/30/97/54/1100309754.db2.gz ISPZMLRQGACYSJ-UHFFFAOYSA-N 0 0 348.786 2.646 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1 ZINC001630480718 1100310102 /nfs/dbraw/zinc/31/01/02/1100310102.db2.gz GGNRPVHWVUPPPJ-UHFFFAOYSA-N 0 0 331.343 2.737 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)c(F)c1 ZINC001630481645 1100310238 /nfs/dbraw/zinc/31/02/38/1100310238.db2.gz XKBJDKNQZAIEND-UHFFFAOYSA-N 0 0 349.333 2.876 10 10 EFCERN CC(C)n1nnnc1-c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC001630527116 1100313586 /nfs/dbraw/zinc/31/35/86/1100313586.db2.gz GHGRPDIOHFLSHA-UHFFFAOYSA-N 0 0 329.385 2.940 10 10 EFCERN O=C(COc1ccc(F)c(F)c1)NCc1ccc2cccnc2c1O ZINC001630531925 1100314019 /nfs/dbraw/zinc/31/40/19/1100314019.db2.gz FJWIXVNHWZBIDJ-UHFFFAOYSA-N 0 0 344.317 2.914 10 10 EFCERN COCc1nc(C)c(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001630532659 1100314889 /nfs/dbraw/zinc/31/48/89/1100314889.db2.gz MUSJTDPGSVVYGF-UHFFFAOYSA-N 0 0 343.408 2.782 10 10 EFCERN CCc1nn(C)c(CC)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001630828273 1100343858 /nfs/dbraw/zinc/34/38/58/1100343858.db2.gz PBAGXQJGYMTFQB-UHFFFAOYSA-N 0 0 342.403 2.637 10 10 EFCERN CCN(OC)C(=O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001630922198 1100354114 /nfs/dbraw/zinc/35/41/14/1100354114.db2.gz UXIZVWBFMLKUFT-UHFFFAOYSA-N 0 0 343.427 2.542 10 10 EFCERN COc1nccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001631147413 1100374626 /nfs/dbraw/zinc/37/46/26/1100374626.db2.gz RQVHIIAYXSBFHK-UHFFFAOYSA-N 0 0 339.351 2.626 10 10 EFCERN Cc1oc(Br)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001631434661 1100398967 /nfs/dbraw/zinc/39/89/67/1100398967.db2.gz UZHOKHAXHUZDPL-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC001631438394 1100399591 /nfs/dbraw/zinc/39/95/91/1100399591.db2.gz CWKSFZDERYKHOL-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1scnc1C(F)(F)F ZINC001631510262 1100406480 /nfs/dbraw/zinc/40/64/80/1100406480.db2.gz MCTKONTVVOYFQO-UHFFFAOYSA-N 0 0 332.303 2.546 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnccc1C ZINC001631534197 1100408340 /nfs/dbraw/zinc/40/83/40/1100408340.db2.gz TUNOISXPYCWXIP-UHFFFAOYSA-N 0 0 348.786 2.564 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2cc(F)c(F)cc21 ZINC001631874342 1100435840 /nfs/dbraw/zinc/43/58/40/1100435840.db2.gz UNOVPOFITXAQIC-RQOWECAXSA-N 0 0 333.290 2.815 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)c2nc[nH]n2)c1 ZINC001632042724 1100449299 /nfs/dbraw/zinc/44/92/99/1100449299.db2.gz JHWDSPIMHOPQCJ-GFCCVEGCSA-N 0 0 337.383 2.516 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)C(C)C)CCCC1 ZINC001632039178 1100449679 /nfs/dbraw/zinc/44/96/79/1100449679.db2.gz FEKXZPPYUUVSRT-QGZVFWFLSA-N 0 0 344.455 2.662 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cc(Cl)no3)CC2)cc1 ZINC001632158130 1100456431 /nfs/dbraw/zinc/45/64/31/1100456431.db2.gz RKSIZBGDIJOINB-UHFFFAOYSA-N 0 0 335.791 2.689 10 10 EFCERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H](C)c1ccccc1O ZINC001632250086 1100462848 /nfs/dbraw/zinc/46/28/48/1100462848.db2.gz JFQBFULDYQDSSZ-JTQLQIEISA-N 0 0 326.356 2.580 10 10 EFCERN Cc1cc(C(=O)NCCOC(=O)N(C)C)c(C)n1-c1ccccc1C ZINC001632268986 1100463623 /nfs/dbraw/zinc/46/36/23/1100463623.db2.gz XRXRPTYMMAELBW-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001632523079 1100481026 /nfs/dbraw/zinc/48/10/26/1100481026.db2.gz XXOKOSZHZONKFR-CRAIPNDOSA-N 0 0 345.370 2.816 10 10 EFCERN Cc1ccc(CN(CCO)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001632559716 1100484169 /nfs/dbraw/zinc/48/41/69/1100484169.db2.gz VTFQZGAMQWCJFF-UHFFFAOYSA-N 0 0 340.383 2.792 10 10 EFCERN COc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1F ZINC001632583392 1100485990 /nfs/dbraw/zinc/48/59/90/1100485990.db2.gz GEIIXSPAOXCFRU-UHFFFAOYSA-N 0 0 344.346 2.969 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)c(F)cc3N)C2)cc1 ZINC001632616955 1100488830 /nfs/dbraw/zinc/48/88/30/1100488830.db2.gz ALTXDYWRRQJWGP-LLVKDONJSA-N 0 0 347.365 2.564 10 10 EFCERN O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1Cc2cccc(O)c2C1 ZINC001632709372 1100495335 /nfs/dbraw/zinc/49/53/35/1100495335.db2.gz VAMINOLPFVOPFL-UHFFFAOYSA-N 0 0 337.354 2.802 10 10 EFCERN CC(C)N1CCc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2C1 ZINC001632769140 1100500386 /nfs/dbraw/zinc/50/03/86/1100500386.db2.gz NDAKPQINSMDCAT-UHFFFAOYSA-N 0 0 347.440 2.502 10 10 EFCERN O=C(NCCCSc1nccs1)c1ccc(CO)c(F)c1 ZINC001632806921 1100501882 /nfs/dbraw/zinc/50/18/82/1100501882.db2.gz GXUPSAQXMUJYSN-UHFFFAOYSA-N 0 0 326.418 2.687 10 10 EFCERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001633022733 1100516230 /nfs/dbraw/zinc/51/62/30/1100516230.db2.gz ZBJDTGDDPZDFFI-RJXMKIDGSA-N 0 0 325.364 2.792 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3ccc(CO)nc3)cc2)CC1 ZINC001633110601 1100523522 /nfs/dbraw/zinc/52/35/22/1100523522.db2.gz CWWQCDRSMRWTKU-UHFFFAOYSA-N 0 0 339.439 2.740 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001633347138 1100537787 /nfs/dbraw/zinc/53/77/87/1100537787.db2.gz RGYAPXFVSQSBQT-UHFFFAOYSA-N 0 0 336.395 2.640 10 10 EFCERN COCc1ccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)o1 ZINC001633492735 1100545341 /nfs/dbraw/zinc/54/53/41/1100545341.db2.gz NVLAMYLCPHKMEG-CQSZACIVSA-N 0 0 331.368 2.743 10 10 EFCERN COc1ccc(Cl)cc1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001633501461 1100545430 /nfs/dbraw/zinc/54/54/30/1100545430.db2.gz XXAIJKWTYJFLFD-UHFFFAOYSA-N 0 0 335.787 2.661 10 10 EFCERN CC(C)c1noc2ncc(C(=O)NCc3cccc(O)c3O)cc21 ZINC001633507245 1100546222 /nfs/dbraw/zinc/54/62/22/1100546222.db2.gz FKJWAHUTYSYKCH-UHFFFAOYSA-N 0 0 327.340 2.687 10 10 EFCERN Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1cc(O)ccc1O ZINC001633598991 1100552610 /nfs/dbraw/zinc/55/26/10/1100552610.db2.gz KERQTUQYVQTFDO-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN COc1cccc(C(=O)NCc2cc(O)ccc2O)c1OC(F)F ZINC001633595072 1100552871 /nfs/dbraw/zinc/55/28/71/1100552871.db2.gz HBILXSZAUQVAET-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1(c2nccc3ccccc32)CC1 ZINC001633599170 1100552906 /nfs/dbraw/zinc/55/29/06/1100552906.db2.gz QREZZYIEIKJNPZ-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN Nc1c(Cl)ccc(C(=O)NCc2cc(O)ccc2O)c1Cl ZINC001633598885 1100553051 /nfs/dbraw/zinc/55/30/51/1100553051.db2.gz GAYJWGQJPCPVRT-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OCC(F)(F)F)cc1 ZINC001633595286 1100553104 /nfs/dbraw/zinc/55/31/04/1100553104.db2.gz QFXQKVLCEYQBBE-UHFFFAOYSA-N 0 0 341.285 2.969 10 10 EFCERN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(O)ccc1O ZINC001633595264 1100553166 /nfs/dbraw/zinc/55/31/66/1100553166.db2.gz OOYOJTPHTPFEJK-GFCCVEGCSA-N 0 0 327.380 2.670 10 10 EFCERN C[C@@H](C(=O)NCc1cc(O)ccc1O)[C@H]1OCCc2sccc21 ZINC001633599247 1100554063 /nfs/dbraw/zinc/55/40/63/1100554063.db2.gz UUFHTUMFLMHZIT-QLJPJBMISA-N 0 0 333.409 2.726 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)c(F)c1N ZINC001633818945 1100567632 /nfs/dbraw/zinc/56/76/32/1100567632.db2.gz MSAMSZOKGCETNF-QMMMGPOBSA-N 0 0 338.766 2.834 10 10 EFCERN COc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2C)c(O)c1 ZINC001633927058 1100574670 /nfs/dbraw/zinc/57/46/70/1100574670.db2.gz QOFBZTHTYTYDJK-UHFFFAOYSA-N 0 0 337.379 2.731 10 10 EFCERN COc1ccnc(OC)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001634315921 1100599427 /nfs/dbraw/zinc/59/94/27/1100599427.db2.gz ZGWBFHWTAUCULR-UHFFFAOYSA-N 0 0 346.364 2.977 10 10 EFCERN Cc1cc(CCNC(=O)c2cnc(C)nc2N)c(C)n1-c1ccccc1 ZINC001634866700 1100632946 /nfs/dbraw/zinc/63/29/46/1100632946.db2.gz HDJJOZZXKOBBGM-UHFFFAOYSA-N 0 0 349.438 2.747 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001634983318 1100639084 /nfs/dbraw/zinc/63/90/84/1100639084.db2.gz TXSLWQZJPLBRLE-AWEZNQCLSA-N 0 0 346.814 2.689 10 10 EFCERN CCn1cc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001635083031 1100643043 /nfs/dbraw/zinc/64/30/43/1100643043.db2.gz QMRRGSSRUNERJN-UHFFFAOYSA-N 0 0 341.459 2.845 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](CO)[C@H]2C)c1 ZINC001635236291 1100650410 /nfs/dbraw/zinc/65/04/10/1100650410.db2.gz PKPNYHJJUAAMJQ-PBHICJAKSA-N 0 0 340.423 2.750 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(=O)[nH]c2cc(F)ccc21 ZINC001635360671 1100656658 /nfs/dbraw/zinc/65/66/58/1100656658.db2.gz PPZJTDRCEBEYFQ-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN CSc1ncc(Cl)c(C(=O)NCc2c(O)cccc2F)n1 ZINC001635360239 1100656668 /nfs/dbraw/zinc/65/66/68/1100656668.db2.gz FOBFTFACXVWQMG-UHFFFAOYSA-N 0 0 327.768 2.627 10 10 EFCERN O=C(Cc1csc(-c2cccnc2)n1)NCc1c(O)cccc1F ZINC001635360192 1100656798 /nfs/dbraw/zinc/65/67/98/1100656798.db2.gz CUWWTHHFYOVSLL-UHFFFAOYSA-N 0 0 343.383 2.909 10 10 EFCERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H](C)c1ccccc1O ZINC001635793814 1100679953 /nfs/dbraw/zinc/67/99/53/1100679953.db2.gz JFQBFULDYQDSSZ-SNVBAGLBSA-N 0 0 326.356 2.580 10 10 EFCERN C[C@@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC001635793863 1100679999 /nfs/dbraw/zinc/67/99/99/1100679999.db2.gz LNDLZUJFPHYSHZ-CYBMUJFWSA-N 0 0 335.363 2.638 10 10 EFCERN C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1O ZINC001635798929 1100680622 /nfs/dbraw/zinc/68/06/22/1100680622.db2.gz IUFNPRBRAIVGKA-ZDUSSCGKSA-N 0 0 338.363 2.686 10 10 EFCERN Nc1c(F)cccc1C(=O)NCc1cccc(Br)c1O ZINC001635839372 1100683059 /nfs/dbraw/zinc/68/30/59/1100683059.db2.gz BKSRNTZOMLAENQ-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CCC(CC)(C(=O)NCc1c(O)cccc1O)C(=O)OC(C)(C)C ZINC001635847610 1100683650 /nfs/dbraw/zinc/68/36/50/1100683650.db2.gz QBCUVEVZBYGBAE-UHFFFAOYSA-N 0 0 337.416 2.862 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(OCC(F)(F)F)c1 ZINC001635846870 1100683963 /nfs/dbraw/zinc/68/39/63/1100683963.db2.gz COUOIDCZBVTLFM-UHFFFAOYSA-N 0 0 341.285 2.969 10 10 EFCERN CC(C)Cn1ncc(C(=O)NCc2c(O)cccc2O)c1C1CC1 ZINC001635847321 1100683980 /nfs/dbraw/zinc/68/39/80/1100683980.db2.gz LRTWPWPSTSNOHE-UHFFFAOYSA-N 0 0 329.400 2.758 10 10 EFCERN Nc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001635959978 1100689466 /nfs/dbraw/zinc/68/94/66/1100689466.db2.gz RSAMNOSSRWYIFC-UHFFFAOYSA-N 0 0 326.274 2.629 10 10 EFCERN C[C@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635964912 1100690330 /nfs/dbraw/zinc/69/03/30/1100690330.db2.gz DXIYNPGFQCHYNN-ZDUSSCGKSA-N 0 0 340.423 2.857 10 10 EFCERN Cn1ccnc1[C@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC001635982647 1100691023 /nfs/dbraw/zinc/69/10/23/1100691023.db2.gz MKXTXZYIUIUIRU-CYBMUJFWSA-N 0 0 340.387 2.806 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C(F)(F)C2(O)CCCCC2)c1 ZINC001636061076 1100697542 /nfs/dbraw/zinc/69/75/42/1100697542.db2.gz DINIVGYLWIYUOP-NSHDSACASA-N 0 0 343.370 2.909 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2ccc(Cl)cn2)cc1 ZINC001636147043 1100703278 /nfs/dbraw/zinc/70/32/78/1100703278.db2.gz OYZLIVLWXNOXAI-UHFFFAOYSA-N 0 0 347.762 2.706 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1 ZINC001636181921 1100704763 /nfs/dbraw/zinc/70/47/63/1100704763.db2.gz SOQUPUCIOFCYJF-OAHLLOKOSA-N 0 0 332.404 2.910 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(O)(C3CCC3)CC2)cc1 ZINC001636535835 1100724848 /nfs/dbraw/zinc/72/48/48/1100724848.db2.gz AXJCCSSJBQQILD-UHFFFAOYSA-N 0 0 330.388 2.616 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(O)cc(Br)c1 ZINC001636564342 1100726985 /nfs/dbraw/zinc/72/69/85/1100726985.db2.gz FXKXQLZNOAPSRK-UHFFFAOYSA-N 0 0 338.157 2.747 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001636729954 1100735084 /nfs/dbraw/zinc/73/50/84/1100735084.db2.gz IIPIQHJVDHLPJB-SAABIXHNSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001636870347 1100742656 /nfs/dbraw/zinc/74/26/56/1100742656.db2.gz XWVSEBVHMGUIFL-CMQIENFKSA-N 0 0 340.379 2.543 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2c[nH]c3ccccc32)n[nH]1 ZINC001637129598 1100759786 /nfs/dbraw/zinc/75/97/86/1100759786.db2.gz LWASXHYQMAAQRS-UHFFFAOYSA-N 0 0 348.362 2.899 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCO2 ZINC001638167439 1100839603 /nfs/dbraw/zinc/83/96/03/1100839603.db2.gz WLSXLBIPQSKIFX-NKPGBKMFSA-N 0 0 341.363 2.760 10 10 EFCERN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1CC(F)(F)F ZINC001638420605 1100858728 /nfs/dbraw/zinc/85/87/28/1100858728.db2.gz GPJJCQIMOLCRQI-HWKANZROSA-N 0 0 341.289 2.817 10 10 EFCERN C=CC(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001638573053 1100870317 /nfs/dbraw/zinc/87/03/17/1100870317.db2.gz HPOVCQGYLHDHHI-UHFFFAOYSA-N 0 0 347.374 2.995 10 10 EFCERN CC1(C)Cc2cccc(OCC(=O)NCc3c(O)cccc3F)c2O1 ZINC001638858442 1100892182 /nfs/dbraw/zinc/89/21/82/1100892182.db2.gz UYESSFBLLLWIIA-UHFFFAOYSA-N 0 0 345.370 2.940 10 10 EFCERN CCc1nc(C(=O)NCc2c(O)cccc2F)nn1-c1ccccc1 ZINC001638864071 1100892469 /nfs/dbraw/zinc/89/24/69/1100892469.db2.gz SYBOLKDLTDRRNA-UHFFFAOYSA-N 0 0 340.358 2.604 10 10 EFCERN C[S@@](=N)(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001638931271 1100899705 /nfs/dbraw/zinc/89/97/05/1100899705.db2.gz BKCOCJPNDZKPFV-BFKIFKNXSA-N 0 0 332.381 2.785 10 10 EFCERN O=C(CSc1ccc(F)c(F)c1)NCc1c(O)cccc1O ZINC001639289823 1100935186 /nfs/dbraw/zinc/93/51/86/1100935186.db2.gz XTLDMVUQXLQXJR-UHFFFAOYSA-N 0 0 325.336 2.785 10 10 EFCERN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1c(O)cccc1O ZINC001639292971 1100935377 /nfs/dbraw/zinc/93/53/77/1100935377.db2.gz XVLNLDRYODXKKD-UHFFFAOYSA-N 0 0 339.395 2.859 10 10 EFCERN Cc1ncc(I)c(Sc2nccs2)n1 ZINC001639323521 1100938685 /nfs/dbraw/zinc/93/86/85/1100938685.db2.gz PPGSIFCPSIYNND-UHFFFAOYSA-N 0 0 335.195 2.997 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001639340725 1100939470 /nfs/dbraw/zinc/93/94/70/1100939470.db2.gz DFUNITLUGDEUQE-AWEZNQCLSA-N 0 0 342.439 2.762 10 10 EFCERN Cc1nc(C)c(CC(=O)NCc2c(O)ccc3ccccc32)c(=O)[nH]1 ZINC001639384668 1100942859 /nfs/dbraw/zinc/94/28/59/1100942859.db2.gz PKLQBTIMBYATCZ-UHFFFAOYSA-N 0 0 337.379 2.517 10 10 EFCERN Cc1sc(Br)nc1C(=O)NCc1ccc(O)cc1O ZINC001639444721 1100949715 /nfs/dbraw/zinc/94/97/15/1100949715.db2.gz XGGMOBVLEKVPTN-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Cn1nnc2ccccc21 ZINC001639522084 1100957613 /nfs/dbraw/zinc/95/76/13/1100957613.db2.gz GUKWDCXEKAPBTF-UHFFFAOYSA-N 0 0 338.411 2.966 10 10 EFCERN CC(C)(C)n1ncnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001639526067 1100958679 /nfs/dbraw/zinc/95/86/79/1100958679.db2.gz HLNDMFIXPFFCAQ-UHFFFAOYSA-N 0 0 346.412 2.589 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2[nH]c(=O)oc21 ZINC001639621385 1100967474 /nfs/dbraw/zinc/96/74/74/1100967474.db2.gz BZOHWIHNBYKWMX-UHFFFAOYSA-N 0 0 335.319 2.717 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3ncsc3C2)cc1 ZINC001639739105 1100979950 /nfs/dbraw/zinc/97/99/50/1100979950.db2.gz LQXXSUBQGAPFAX-NSHDSACASA-N 0 0 329.385 2.593 10 10 EFCERN COc1ccccc1C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001639756274 1100981047 /nfs/dbraw/zinc/98/10/47/1100981047.db2.gz MQDWEQUIESACRY-VQHVLOKHSA-N 0 0 325.364 2.925 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCn1cnnc1 ZINC001639941404 1100997014 /nfs/dbraw/zinc/99/70/14/1100997014.db2.gz VSFHRNMJXYSZMM-UHFFFAOYSA-N 0 0 337.339 2.529 10 10 EFCERN Cc1[nH]nc(Br)c1C(=O)NCc1cc(Cl)ccc1O ZINC001639968960 1100999611 /nfs/dbraw/zinc/99/96/11/1100999611.db2.gz QBJZTFJBXFOPKI-UHFFFAOYSA-N 0 0 344.596 2.770 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cc2cc[nH]c(=O)c2s1 ZINC001639968224 1100999417 /nfs/dbraw/zinc/99/94/17/1100999417.db2.gz CMHFLYNNXSYEAP-UHFFFAOYSA-N 0 0 334.784 2.879 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(COC)c1 ZINC001640259920 1101030456 /nfs/dbraw/zinc/03/04/56/1101030456.db2.gz JOVQQKKWUIWXJA-UHFFFAOYSA-N 0 0 334.412 2.883 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)c(F)c1N ZINC001640260132 1101030677 /nfs/dbraw/zinc/03/06/77/1101030677.db2.gz RRPCCTDIRFEQOS-UHFFFAOYSA-N 0 0 339.363 2.538 10 10 EFCERN C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640454654 1101049103 /nfs/dbraw/zinc/04/91/03/1101049103.db2.gz XIOHEPGPJGYJEX-GTNSWQLSSA-N 0 0 343.387 2.675 10 10 EFCERN COC(=O)c1cncc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840384432 1101053163 /nfs/dbraw/zinc/05/31/63/1101053163.db2.gz KLFTXVOLGNPFKJ-CYBMUJFWSA-N 0 0 328.416 2.681 10 10 EFCERN CON1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC001640634431 1101067453 /nfs/dbraw/zinc/06/74/53/1101067453.db2.gz RPYDYWORLGUDLB-UHFFFAOYSA-N 0 0 327.428 2.722 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001640796411 1101079625 /nfs/dbraw/zinc/07/96/25/1101079625.db2.gz CXIVZMXNWIJCFD-KRWDZBQOSA-N 0 0 346.333 2.788 10 10 EFCERN Cn1cc(-c2nc(C(=O)NCc3cc(Cl)ccc3O)cs2)cn1 ZINC001640920018 1101088353 /nfs/dbraw/zinc/08/83/53/1101088353.db2.gz IOAZCEJHYQBILE-UHFFFAOYSA-N 0 0 348.815 2.833 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCOCC2(CC2)C1 ZINC000840478884 1101091701 /nfs/dbraw/zinc/09/17/01/1101091701.db2.gz CTFCWMPBRMIOCM-INIZCTEOSA-N 0 0 345.487 2.814 10 10 EFCERN O=C(Nc1ccc(-n2ccccc2=O)cc1F)c1cccc(O)c1O ZINC001641312039 1101125754 /nfs/dbraw/zinc/12/57/54/1101125754.db2.gz MCPAVCHIYCZEEE-UHFFFAOYSA-N 0 0 340.310 2.640 10 10 EFCERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1ccccc1C ZINC001641354473 1101128386 /nfs/dbraw/zinc/12/83/86/1101128386.db2.gz BIHYUVRWELQIJO-UHFFFAOYSA-N 0 0 339.355 2.785 10 10 EFCERN COC(=O)c1cc(OCc2nnc(-c3ccco3)o2)ccc1N(C)C ZINC001641368429 1101129938 /nfs/dbraw/zinc/12/99/38/1101129938.db2.gz GMCNNYBLUDVOQB-UHFFFAOYSA-N 0 0 343.339 2.761 10 10 EFCERN Cc1cc(CO)oc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554897 1101134213 /nfs/dbraw/zinc/13/42/13/1101134213.db2.gz KIHBWXPBZLIHEM-CQSZACIVSA-N 0 0 330.428 2.816 10 10 EFCERN Cn1c(CNC(=O)c2c(F)ccc(O)c2O)nc2cccc(Cl)c21 ZINC001641477845 1101139396 /nfs/dbraw/zinc/13/93/96/1101139396.db2.gz YKHNIIAJQRZAGT-UHFFFAOYSA-N 0 0 349.749 2.707 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001641489406 1101140568 /nfs/dbraw/zinc/14/05/68/1101140568.db2.gz UTOMLLQRLBPYDD-YERXGYGTSA-N 0 0 343.354 2.850 10 10 EFCERN O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1c(F)ccc(O)c1O ZINC001641630439 1101152468 /nfs/dbraw/zinc/15/24/68/1101152468.db2.gz NOURVRRVZOGTOT-UHFFFAOYSA-N 0 0 335.722 2.697 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC001641623217 1101152538 /nfs/dbraw/zinc/15/25/38/1101152538.db2.gz XJRIWZGELHZQTE-BEFAXECRSA-N 0 0 344.455 2.689 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)c1 ZINC001641733330 1101160838 /nfs/dbraw/zinc/16/08/38/1101160838.db2.gz RGEZPLLCLBJBSB-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](c2ccccc2)CC1 ZINC001641926207 1101176524 /nfs/dbraw/zinc/17/65/24/1101176524.db2.gz NNPMPFBTKNKNEW-OAHLLOKOSA-N 0 0 331.343 2.841 10 10 EFCERN CCOc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]n1 ZINC001641971749 1101179648 /nfs/dbraw/zinc/17/96/48/1101179648.db2.gz DLFYUHRYABRKAX-UHFFFAOYSA-N 0 0 348.366 2.770 10 10 EFCERN Cc1oc(Br)cc1C(=O)NCc1ccc(O)cc1O ZINC001643103590 1101269506 /nfs/dbraw/zinc/26/95/06/1101269506.db2.gz AVUWKBRNDPPWLU-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1c(O)cccc1O ZINC001643230196 1101282680 /nfs/dbraw/zinc/28/26/80/1101282680.db2.gz FTXRDFFPIDRBNZ-UHFFFAOYSA-N 0 0 343.339 2.510 10 10 EFCERN Cc1cc(CNC(=O)c2cccc(C(N)=O)n2)c(C)n1-c1ccccc1 ZINC001643370376 1101293896 /nfs/dbraw/zinc/29/38/96/1101293896.db2.gz MIKJFELURYVYAJ-UHFFFAOYSA-N 0 0 348.406 2.518 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)c1ccc(F)cc1F ZINC001651452262 1101332592 /nfs/dbraw/zinc/33/25/92/1101332592.db2.gz XYHOIYKHEUHBAT-UHFFFAOYSA-N 0 0 343.276 2.827 10 10 EFCERN Cc1onc(-c2cccnc2)c1C(=O)NCc1c(O)cccc1F ZINC001652298227 1101470932 /nfs/dbraw/zinc/47/09/32/1101470932.db2.gz GJVKCPUOANECJS-UHFFFAOYSA-N 0 0 327.315 2.820 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1CSC(c2ccccc2)=N1 ZINC001652298884 1101470947 /nfs/dbraw/zinc/47/09/47/1101470947.db2.gz SEPYXIQAOHDEDI-AWEZNQCLSA-N 0 0 330.384 2.710 10 10 EFCERN CCOc1cc(/C=C\C(=O)NCc2c(O)cccc2O)ccc1O ZINC001652625289 1101521636 /nfs/dbraw/zinc/52/16/36/1101521636.db2.gz ACHFHPQXTPZICB-CLFYSBASSA-N 0 0 329.352 2.532 10 10 EFCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1c(O)cccc1O ZINC001652628997 1101523565 /nfs/dbraw/zinc/52/35/65/1101523565.db2.gz SBCPHWSLENUFIM-NSHDSACASA-N 0 0 335.791 2.653 10 10 EFCERN CCN(CC)C(=O)CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001652709198 1101532729 /nfs/dbraw/zinc/53/27/29/1101532729.db2.gz WECCWIZNBXREHN-UHFFFAOYSA-N 0 0 328.412 2.810 10 10 EFCERN CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708504 1101532765 /nfs/dbraw/zinc/53/27/65/1101532765.db2.gz FFOFHNDHGIMEDA-DNVCBOLYSA-N 0 0 343.423 2.993 10 10 EFCERN NC(=O)c1csc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001652705583 1101533732 /nfs/dbraw/zinc/53/37/32/1101533732.db2.gz KRQJMUDWPGDTBT-UHFFFAOYSA-N 0 0 326.377 2.636 10 10 EFCERN CCOc1ccc(N2CCN([C@H](C(=O)OC)[C@@H](C)CC)CC2)cc1 ZINC001652964690 1101572332 /nfs/dbraw/zinc/57/23/32/1101572332.db2.gz PMFMXBPWHZOJAN-YJBOKZPZSA-N 0 0 334.460 2.795 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC001653160676 1101593586 /nfs/dbraw/zinc/59/35/86/1101593586.db2.gz KGRPSNYZYWZKNF-UKRRQHHQSA-N 0 0 330.388 2.784 10 10 EFCERN O=C(C1=CC(=O)CS1)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001653499581 1101627338 /nfs/dbraw/zinc/62/73/38/1101627338.db2.gz GPGJPUMKXPHDCI-UHFFFAOYSA-N 0 0 334.328 2.506 10 10 EFCERN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCc1cccc(Cl)c1O ZINC001653567388 1101632060 /nfs/dbraw/zinc/63/20/60/1101632060.db2.gz XCUFFSGGCANJQB-LBPRGKRZSA-N 0 0 348.761 2.927 10 10 EFCERN CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCC2(CC1)OCCO2 ZINC001653612205 1101635824 /nfs/dbraw/zinc/63/58/24/1101635824.db2.gz BQDKMRBUAKNGCU-UHFFFAOYSA-N 0 0 346.387 2.655 10 10 EFCERN COC(=O)/C=C\[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001653870444 1101656695 /nfs/dbraw/zinc/65/66/95/1101656695.db2.gz OTTDNWBGVQSKOM-BMSUMIBZSA-N 0 0 340.423 2.871 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2cccc3nsnc32)cc1 ZINC001654124746 1101683659 /nfs/dbraw/zinc/68/36/59/1101683659.db2.gz SINBYUHBMSSPCL-UHFFFAOYSA-N 0 0 328.397 2.775 10 10 EFCERN COc1ccc2c(n1)N(C)CCN2Cc1cc(F)cc(C(C)=O)c1O ZINC001654837221 1101761046 /nfs/dbraw/zinc/76/10/46/1101761046.db2.gz AQDYCZIRFDNCPJ-UHFFFAOYSA-N 0 0 345.374 2.594 10 10 EFCERN CCCN(CCC)c1ccc([C@H]2NC3(CC3)C(=O)N2CCOC)cc1 ZINC000840838302 1101773317 /nfs/dbraw/zinc/77/33/17/1101773317.db2.gz NQDSHCBMBIXQOQ-SFHVURJKSA-N 0 0 345.487 2.922 10 10 EFCERN Cn1ncc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001655496361 1101835122 /nfs/dbraw/zinc/83/51/22/1101835122.db2.gz HIJBSIZCJKFXAT-UHFFFAOYSA-N 0 0 337.339 2.566 10 10 EFCERN Cc1ccc(OCCN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403826 1101901072 /nfs/dbraw/zinc/90/10/72/1101901072.db2.gz TXABXYWMFNNQCY-POHAHGRESA-N 0 0 327.380 2.957 10 10 EFCERN Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1ccc(F)cn1 ZINC001656389204 1102047873 /nfs/dbraw/zinc/04/78/73/1102047873.db2.gz SFGDBVLTYSZUHJ-UHFFFAOYSA-N 0 0 341.342 2.523 10 10 EFCERN COC(=O)c1cnc(SCc2ccc3oc(=O)n(C)c3c2)s1 ZINC001656581218 1102128029 /nfs/dbraw/zinc/12/80/29/1102128029.db2.gz VNVOBEORXUVKAU-UHFFFAOYSA-N 0 0 336.394 2.667 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(OC(F)F)nc2)cc1F ZINC001125535223 1102343456 /nfs/dbraw/zinc/34/34/56/1102343456.db2.gz TWCSNTRYNUIOHL-UHFFFAOYSA-N 0 0 339.317 2.818 10 10 EFCERN O=C(NCCCSc1nccs1)[C@H]1CC(=O)Nc2ccccc21 ZINC000074136057 1102445379 /nfs/dbraw/zinc/44/53/79/1102445379.db2.gz BGQHTQQLUCANPG-LBPRGKRZSA-N 0 0 347.465 2.868 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC001648889899 1102549824 /nfs/dbraw/zinc/54/98/24/1102549824.db2.gz QQIQKLPLXSJVLI-GFCCVEGCSA-N 0 0 326.352 2.840 10 10 EFCERN COc1ccc(O)c(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000840998545 1102710281 /nfs/dbraw/zinc/71/02/81/1102710281.db2.gz JJPPEJYGLIQYKG-INIZCTEOSA-N 0 0 329.396 2.967 10 10 EFCERN COc1cc(O)c(CN2CCS[C@@H](C(F)(F)F)C2)cc1OC ZINC000905705866 1103518204 /nfs/dbraw/zinc/51/82/04/1103518204.db2.gz PLAICKQZHLNDFD-CYBMUJFWSA-N 0 0 337.363 2.889 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000906427164 1104207431 /nfs/dbraw/zinc/20/74/31/1104207431.db2.gz DQOPWJHXOQGYQM-DLBZAZTESA-N 0 0 332.444 2.690 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCS(=O)(=O)CC1 ZINC000093476565 1104847775 /nfs/dbraw/zinc/84/77/75/1104847775.db2.gz SWAGJESPEWCVAQ-UHFFFAOYSA-N 0 0 338.256 2.708 10 10 EFCERN COc1cccc(CNC(=O)c2cc(Cl)c(O)c(OC)c2)c1O ZINC000785416861 1104905518 /nfs/dbraw/zinc/90/55/18/1104905518.db2.gz ZBUFUDXQZYLGBN-UHFFFAOYSA-N 0 0 337.759 2.698 10 10 EFCERN CCOC(CCNC(=O)c1cc2cc(O)c(O)cc2s1)OCC ZINC000897526996 1104966463 /nfs/dbraw/zinc/96/64/63/1104966463.db2.gz VXWRRTHXMWJMOY-UHFFFAOYSA-N 0 0 339.413 2.832 10 10 EFCERN COc1ccc(CNC(=O)C[C@@H]2CCc3sccc3C2=O)c(O)c1 ZINC000897628664 1106005625 /nfs/dbraw/zinc/00/56/25/1106005625.db2.gz HKNSMPHVOSOMJC-NSHDSACASA-N 0 0 345.420 2.914 10 10 EFCERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956411 1106043375 /nfs/dbraw/zinc/04/33/75/1106043375.db2.gz AXFIJWSFVONWNL-IFXJQAMLSA-N 0 0 339.439 2.845 10 10 EFCERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956410 1106043455 /nfs/dbraw/zinc/04/34/55/1106043455.db2.gz AXFIJWSFVONWNL-AUUYWEPGSA-N 0 0 339.439 2.845 10 10 EFCERN Nc1ccc(CCNC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000841959405 1106046294 /nfs/dbraw/zinc/04/62/94/1106046294.db2.gz XBECDZSQWWOKJE-GOSISDBHSA-N 0 0 331.460 2.945 10 10 EFCERN CON(CC1CCOCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897687872 1106055124 /nfs/dbraw/zinc/05/51/24/1106055124.db2.gz BRBSLCAQVRLYJC-UHFFFAOYSA-N 0 0 337.397 2.743 10 10 EFCERN Cc1noc([C@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897754640 1106072423 /nfs/dbraw/zinc/07/24/23/1106072423.db2.gz WJXLLXNHYUBZNC-SNVBAGLBSA-N 0 0 345.380 2.981 10 10 EFCERN COC(=O)CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897951244 1106164673 /nfs/dbraw/zinc/16/46/73/1106164673.db2.gz HYXLATLUDQRQGP-UHFFFAOYSA-N 0 0 335.381 2.528 10 10 EFCERN Cn1cc(C(C)(C)NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000897949825 1106164822 /nfs/dbraw/zinc/16/48/22/1106164822.db2.gz LYRZGHHKWPXHKP-UHFFFAOYSA-N 0 0 331.397 2.711 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn3c(n2)CCC3)cc1F ZINC000843795122 1106205223 /nfs/dbraw/zinc/20/52/23/1106205223.db2.gz VHZYPJNBVHMVCL-UHFFFAOYSA-N 0 0 330.407 2.745 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C2(O)CC2)CC1 ZINC000898269404 1106298567 /nfs/dbraw/zinc/29/85/67/1106298567.db2.gz XRFGGOJGSUBSHD-UHFFFAOYSA-N 0 0 333.409 2.690 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1COC(C)(C)C1 ZINC001676594687 1106544246 /nfs/dbraw/zinc/54/42/46/1106544246.db2.gz LHHXOMKKVQNLKC-INIZCTEOSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NCc1cccc2c1OCCO2 ZINC001676647979 1106551926 /nfs/dbraw/zinc/55/19/26/1106551926.db2.gz ZIYVESBVDMWLQF-UHFFFAOYSA-N 0 0 348.786 2.816 10 10 EFCERN Nc1ccc(Cc2noc(C[C@@H]3CCC4(CCOCC4)CO3)n2)cc1 ZINC000904078241 1107586240 /nfs/dbraw/zinc/58/62/40/1107586240.db2.gz WLNRMUIQQJLYQK-INIZCTEOSA-N 0 0 343.427 2.761 10 10 EFCERN C[C@H]1[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000925333200 1107680706 /nfs/dbraw/zinc/68/07/06/1107680706.db2.gz BCJOQBGFLWUSPY-UFBFGSQYSA-N 0 0 332.231 2.591 10 10 EFCERN COc1cccc(CNC(=O)c2cc3c(cc2O)CCCC3)c1O ZINC000729859757 1107850452 /nfs/dbraw/zinc/85/04/52/1107850452.db2.gz MXLZFVXAGYCZKM-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC001681030552 1108110804 /nfs/dbraw/zinc/11/08/04/1108110804.db2.gz SPIMOFFUVREQFP-KRWDZBQOSA-N 0 0 331.460 2.997 10 10 EFCERN CC(C)OCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001681646452 1108376182 /nfs/dbraw/zinc/37/61/82/1108376182.db2.gz HSRXXZGJCBZCRE-RYUDHWBXSA-N 0 0 348.403 2.822 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001682541817 1108621073 /nfs/dbraw/zinc/62/10/73/1108621073.db2.gz DUVVXZSOUGSAHA-CRAIPNDOSA-N 0 0 341.411 2.849 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001682627231 1108624550 /nfs/dbraw/zinc/62/45/50/1108624550.db2.gz AKUJMBVHIMFCGG-DOTOQJQBSA-N 0 0 327.384 2.507 10 10 EFCERN CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001683043293 1108659716 /nfs/dbraw/zinc/65/97/16/1108659716.db2.gz VFSBRAHQOOYAFI-LBPRGKRZSA-N 0 0 327.856 2.965 10 10 EFCERN C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000927131718 1108945972 /nfs/dbraw/zinc/94/59/72/1108945972.db2.gz QMTAMWYKFCSEFG-NOZJJQNGSA-N 0 0 329.322 2.529 10 10 EFCERN C[C@@]1(C2CC2)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000898585960 1109023939 /nfs/dbraw/zinc/02/39/39/1109023939.db2.gz GWHFWGFRZBYXLT-KRWDZBQOSA-N 0 0 333.409 2.954 10 10 EFCERN CC1CCC(O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899020423 1109178632 /nfs/dbraw/zinc/17/86/32/1109178632.db2.gz XKCOPTRJXZICJK-UHFFFAOYSA-N 0 0 335.425 2.984 10 10 EFCERN CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899193376 1109239023 /nfs/dbraw/zinc/23/90/23/1109239023.db2.gz SNZOBAXIJPLZCQ-NSHDSACASA-N 0 0 349.408 2.774 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ncsc2Br)cc1 ZINC000699151953 1111077374 /nfs/dbraw/zinc/07/73/74/1111077374.db2.gz LWLWQGIAZAKGAF-UHFFFAOYSA-N 0 0 340.246 2.902 10 10 EFCERN CCN(C)c1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC000917237099 1112018065 /nfs/dbraw/zinc/01/80/65/1112018065.db2.gz LTOILCAVOMUPAU-UHFFFAOYSA-N 0 0 331.391 2.987 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183550728 1118747891 /nfs/dbraw/zinc/74/78/91/1118747891.db2.gz BOBDBLKEZNNREF-UHFFFAOYSA-N 0 0 327.306 2.813 10 10 EFCERN Cc1csc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000184144050 1118944482 /nfs/dbraw/zinc/94/44/82/1118944482.db2.gz NELAQXWTFUYMLA-AWEZNQCLSA-N 0 0 346.500 2.827 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000184618282 1119271575 /nfs/dbraw/zinc/27/15/75/1119271575.db2.gz OKJKLKHHTDLPPT-UHFFFAOYSA-N 0 0 345.403 2.819 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000785424209 1120305773 /nfs/dbraw/zinc/30/57/73/1120305773.db2.gz MPVVYSIPTUUOOA-UHFFFAOYSA-N 0 0 343.471 2.552 10 10 EFCERN COC(=O)[C@H](C)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001299249662 1120737956 /nfs/dbraw/zinc/73/79/56/1120737956.db2.gz KNBKHYPBFYTBHN-LLVKDONJSA-N 0 0 329.352 2.935 10 10 EFCERN CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)c2ccccc2)cc1 ZINC000059415975 214619971 /nfs/dbraw/zinc/61/99/71/214619971.db2.gz IXBWSJYTKJERAP-GOSISDBHSA-N 0 0 341.436 2.672 10 10 EFCERN O=C([O-])CCCNC(=O)CNc1c2ccccc2[nH+]c2ccccc21 ZINC000003892253 210085400 /nfs/dbraw/zinc/08/54/00/210085400.db2.gz DFEGUWUGZMEANI-UHFFFAOYSA-N 0 0 337.379 2.781 10 10 EFCERN CCOC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O ZINC000003641434 210070042 /nfs/dbraw/zinc/07/00/42/210070042.db2.gz NICHJVDQFWARSF-HNNXBMFYSA-N 0 0 327.340 2.620 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000275798717 290850783 /nfs/dbraw/zinc/85/07/83/290850783.db2.gz CWFXVJWSRAISQS-LEOCGOGGSA-N 0 0 334.372 2.642 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281667019 290851475 /nfs/dbraw/zinc/85/14/75/290851475.db2.gz PHHGFXNLPRUIAI-QZWGFMDZSA-N 0 0 334.372 2.785 10 10 EFCERN Cc1[nH]c2ccccc2c1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000040570642 213352388 /nfs/dbraw/zinc/35/23/88/213352388.db2.gz VVZYJFAKDVEVMI-GDNBJRDFSA-N 0 0 327.409 2.779 10 10 EFCERN Cc1cc(CNC(=O)[C@@H](C)NC(=O)c2cccs2)ccc1N(C)C ZINC000069696619 215533522 /nfs/dbraw/zinc/53/35/22/215533522.db2.gz VXWRCYSQILJFPW-CYBMUJFWSA-N 0 0 345.468 2.557 10 10 EFCERN Nc1ccc(O)c(CNC(=O)c2ccc(Br)s2)c1 ZINC000036737509 213114739 /nfs/dbraw/zinc/11/47/39/213114739.db2.gz MZFFWSMEQDVKIY-UHFFFAOYSA-N 0 0 327.203 2.728 10 10 EFCERN COC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000170717795 239129366 /nfs/dbraw/zinc/12/93/66/239129366.db2.gz VSBLPKYAUUQZAM-GOSISDBHSA-N 0 0 327.428 2.940 10 10 EFCERN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c(C)n1-c1ccccn1 ZINC000172362163 239169853 /nfs/dbraw/zinc/16/98/53/239169853.db2.gz BCFHHJSYAISECK-MCPYQZEQSA-N 0 0 339.439 2.722 10 10 EFCERN COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105373 239355958 /nfs/dbraw/zinc/35/59/58/239355958.db2.gz CKCAXPDKJSNNFW-LLVKDONJSA-N 0 0 325.792 2.633 10 10 EFCERN CCn1nnc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 ZINC000023744425 212393122 /nfs/dbraw/zinc/39/31/22/212393122.db2.gz NYQLKLUQEDTYMZ-UHFFFAOYSA-N 0 0 337.427 2.789 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187943870 239742485 /nfs/dbraw/zinc/74/24/85/239742485.db2.gz DWUNFNNPSDOEDN-KYJSFNMBSA-N 0 0 330.428 2.638 10 10 EFCERN COc1ccc(O)c([C@H](C)Nc2cccc(-n3nnnc3C)c2)c1 ZINC000192822865 240066735 /nfs/dbraw/zinc/06/67/35/240066735.db2.gz YFOXJJVUQWWCRH-NSHDSACASA-N 0 0 325.372 2.858 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2=O)cc1)c1cccc(O)c1O ZINC000192989665 240077604 /nfs/dbraw/zinc/07/76/04/240077604.db2.gz JFGRDHWBQZXLGW-UHFFFAOYSA-N 0 0 340.379 2.545 10 10 EFCERN CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000194938914 240187478 /nfs/dbraw/zinc/18/74/78/240187478.db2.gz DTUQJASYSDNDGA-LLVKDONJSA-N 0 0 336.823 2.874 10 10 EFCERN CN1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000253188924 240308261 /nfs/dbraw/zinc/30/82/61/240308261.db2.gz IGQWJCVHCYVTAM-GOEBONIOSA-N 0 0 348.349 2.551 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1F ZINC000246629875 240270337 /nfs/dbraw/zinc/27/03/37/240270337.db2.gz CBZBFDUSBAPMHZ-YSVLISHTSA-N 0 0 335.423 2.649 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000248399192 240289469 /nfs/dbraw/zinc/28/94/69/240289469.db2.gz OKWXPALIXNAYCU-FTLABTOESA-N 0 0 327.380 2.710 10 10 EFCERN Cc1ccn2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2n1 ZINC000263925504 240390328 /nfs/dbraw/zinc/39/03/28/240390328.db2.gz YWKPJUZDOGPROF-UHFFFAOYSA-N 0 0 349.438 2.909 10 10 EFCERN O=C(NCc1ccccc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000266575402 240481612 /nfs/dbraw/zinc/48/16/12/240481612.db2.gz PFZMOEFANQTLME-UHFFFAOYSA-N 0 0 338.407 2.561 10 10 EFCERN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266566468 240481714 /nfs/dbraw/zinc/48/17/14/240481714.db2.gz ODYRQXWSGDLZRK-GJZGRUSLSA-N 0 0 325.364 2.583 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccnn1C ZINC000266640442 240482519 /nfs/dbraw/zinc/48/25/19/240482519.db2.gz DIJZELDRNDKFIZ-UHFFFAOYSA-N 0 0 329.448 2.606 10 10 EFCERN CO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294200208 241037300 /nfs/dbraw/zinc/03/73/00/241037300.db2.gz BQWFQIBRDYSSQV-VQIMIIECSA-N 0 0 346.471 2.685 10 10 EFCERN COCCC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000290950164 241022870 /nfs/dbraw/zinc/02/28/70/241022870.db2.gz GRIIDOFJMFPXND-UHFFFAOYSA-N 0 0 329.444 2.631 10 10 EFCERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000296289728 241081253 /nfs/dbraw/zinc/08/12/53/241081253.db2.gz LROVUPJXJPRGEM-VIFPVBQESA-N 0 0 335.379 2.988 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCF)cc2F)C[C@@H](C)O1 ZINC000297281143 241118807 /nfs/dbraw/zinc/11/88/07/241118807.db2.gz GNSWOALICDBTKH-CHWSQXEVSA-N 0 0 341.402 2.550 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCOC[C@@H]2OC)cc1 ZINC000294297647 241041105 /nfs/dbraw/zinc/04/11/05/241041105.db2.gz CJPQCGROFSLCNY-AEFFLSMTSA-N 0 0 334.460 2.591 10 10 EFCERN C[C@H](CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1nccs1 ZINC000302146591 241192668 /nfs/dbraw/zinc/19/26/68/241192668.db2.gz KTZROMUZMUWIIJ-SECBINFHSA-N 0 0 348.384 2.622 10 10 EFCERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(N(C)C)cc1 ZINC000302452787 241194466 /nfs/dbraw/zinc/19/44/66/241194466.db2.gz UBRLLWVZCBJWQP-NSHDSACASA-N 0 0 326.360 2.877 10 10 EFCERN O=C([C@H]1CCCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000365952957 242338050 /nfs/dbraw/zinc/33/80/50/242338050.db2.gz VAMNXJFHOMOHHK-RDJZCZTQSA-N 0 0 333.428 2.717 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366108448 242343027 /nfs/dbraw/zinc/34/30/27/242343027.db2.gz ZRRGSZHETOUBPQ-CQSZACIVSA-N 0 0 328.416 2.594 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CCOCC3)cc1 ZINC000366202534 242346048 /nfs/dbraw/zinc/34/60/48/242346048.db2.gz IKBBGDYKSCHOTI-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1 ZINC000366536117 242356761 /nfs/dbraw/zinc/35/67/61/242356761.db2.gz QPJFNKAPKYLARE-HNNXBMFYSA-N 0 0 341.473 2.580 10 10 EFCERN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470688 242297586 /nfs/dbraw/zinc/29/75/86/242297586.db2.gz DDENKKYMFLAKKZ-ZWNOBZJWSA-N 0 0 326.799 2.675 10 10 EFCERN Cn1ncc(N2CC=C(c3ccc(Cl)nc3)CC2)c(Cl)c1=O ZINC000367359419 242377661 /nfs/dbraw/zinc/37/76/61/242377661.db2.gz XJEQAJPLOPWEBF-UHFFFAOYSA-N 0 0 337.210 2.776 10 10 EFCERN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)N2CCOCC2)cc1 ZINC000020603753 212152814 /nfs/dbraw/zinc/15/28/14/212152814.db2.gz HVPFJAFBEQSLSA-SFHVURJKSA-N 0 0 347.503 2.678 10 10 EFCERN CCc1ccc(C(=O)NC2=N[C@@H](c3ccccc3F)CC(=O)N2)cc1 ZINC000020135501 212104998 /nfs/dbraw/zinc/10/49/98/212104998.db2.gz DKEGEGJOEZOPPB-MRXNPFEDSA-N 0 0 339.370 2.735 10 10 EFCERN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 ZINC000017337348 211966934 /nfs/dbraw/zinc/96/69/34/211966934.db2.gz WQEPXSYVDXNNHF-AATRIKPKSA-N 0 0 338.319 2.926 10 10 EFCERN CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1ccccc1OCC(N)=O ZINC000013914411 211656107 /nfs/dbraw/zinc/65/61/07/211656107.db2.gz VRSKVIDBHLQDCD-GZTJUZNOSA-N 0 0 349.390 2.665 10 10 EFCERN [NH3+][C@H](CO)c1cc(Br)c(Cl)c(Br)c1[O-] ZINC000072199935 295331805 /nfs/dbraw/zinc/33/18/05/295331805.db2.gz AISMUWGKTKNKTO-RXMQYKEDSA-N 0 0 345.418 2.563 10 10 EFCERN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)nnn1-c1ccc(N)cc1 ZINC000011730622 211241905 /nfs/dbraw/zinc/24/19/05/211241905.db2.gz VGNNPQPKMMTSMK-UHFFFAOYSA-N 0 0 348.815 2.644 10 10 EFCERN CCN1C(=O)/C(=C/c2cc(OC)c3c(c2)OCCO3)SC1=S ZINC000096019518 218515762 /nfs/dbraw/zinc/51/57/62/218515762.db2.gz MJBAFWFAFILGGC-WQLSENKSSA-N 0 0 337.422 2.688 10 10 EFCERN CCc1ccc(C(=O)NC2=N[C@H](c3cccc(F)c3)CC(=O)N2)cc1 ZINC000006817841 210721297 /nfs/dbraw/zinc/72/12/97/210721297.db2.gz DOPIMWUXPVGOFL-INIZCTEOSA-N 0 0 339.370 2.735 10 10 EFCERN Cc1cnc(CCCC(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000450050619 251242701 /nfs/dbraw/zinc/24/27/01/251242701.db2.gz TWFYAUQJWCPFBX-UHFFFAOYSA-N 0 0 329.400 2.797 10 10 EFCERN CN(C[C@@H]1CO1)c1ccc(Cc2ccc(N(C)C[C@H]3CO3)cc2)cc1 ZINC000005318363 210438213 /nfs/dbraw/zinc/43/82/13/210438213.db2.gz CXXISLZOPXKTTK-OYRHEFFESA-N 0 0 338.451 2.947 10 10 EFCERN CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000097312396 219011741 /nfs/dbraw/zinc/01/17/41/219011741.db2.gz BRTVQXZYYNYFMQ-KWEPMOPPSA-N 0 0 344.455 2.564 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)COCc2ccccc2)c1O ZINC000173346020 533498485 /nfs/dbraw/zinc/49/84/85/533498485.db2.gz OKPXJUXUVAHDPX-AWEZNQCLSA-N 0 0 344.411 2.805 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1O ZINC000163266591 533499078 /nfs/dbraw/zinc/49/90/78/533499078.db2.gz BNMZCJWDHOCBDR-SWLSCSKDSA-N 0 0 342.395 2.765 10 10 EFCERN Cc1cc(O)c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1C ZINC000092040252 544539666 /nfs/dbraw/zinc/53/96/66/544539666.db2.gz NCBPRKGOAMWXML-WMZOPIPTSA-N 0 0 331.412 2.927 10 10 EFCERN Cc1cc(O)c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1C ZINC000092040253 544539692 /nfs/dbraw/zinc/53/96/92/544539692.db2.gz NCBPRKGOAMWXML-AEFFLSMTSA-N 0 0 331.412 2.927 10 10 EFCERN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(F)c3)=N2)cc1 ZINC000020924374 273770386 /nfs/dbraw/zinc/77/03/86/273770386.db2.gz LGSRNANYOLIQEQ-INIZCTEOSA-N 0 0 339.370 2.735 10 10 EFCERN Cc1cccc(C(=O)NC2=N[C@H](c3ccccc3Cl)CC(=O)N2)c1 ZINC000006869804 274789123 /nfs/dbraw/zinc/78/91/23/274789123.db2.gz XFYMQEZKTKRTON-HNNXBMFYSA-N 0 0 341.798 2.995 10 10 EFCERN CN(C)c1ccc(/C=C2/C(=O)N(c3cccnc3)C(=S)N2C)cc1 ZINC000006823188 276800232 /nfs/dbraw/zinc/80/02/32/276800232.db2.gz KBCOQZNLIMYAJN-WJDWOHSUSA-N 0 0 338.436 2.752 10 10 EFCERN CC(C)c1nc2c(n1C)CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000153036761 278075387 /nfs/dbraw/zinc/07/53/87/278075387.db2.gz DTFYPXKOHIYNEI-UHFFFAOYSA-N 0 0 329.400 2.536 10 10 EFCERN CN(C)c1ccc([C@H]2CC(C(C)(C)C)=Nc3nnnn32)cc1[N+](=O)[O-] ZINC000103056197 289411482 /nfs/dbraw/zinc/41/14/82/289411482.db2.gz IXMPXTZRHFACMW-GFCCVEGCSA-N 0 0 343.391 2.592 10 10 EFCERN CN(C)c1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1[N+](=O)[O-] ZINC000024098566 289411831 /nfs/dbraw/zinc/41/18/31/289411831.db2.gz UMXAQEREVQFPGR-INIZCTEOSA-N 0 0 326.356 2.539 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000177306839 473351750 /nfs/dbraw/zinc/35/17/50/473351750.db2.gz VIKYRSGXURJFRO-MRXNPFEDSA-N 0 0 326.444 2.992 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083740045 473365562 /nfs/dbraw/zinc/36/55/62/473365562.db2.gz SNPVHCAFJOYAHF-OAHLLOKOSA-N 0 0 343.431 2.749 10 10 EFCERN CCn1cc([C@H]2CN(Cc3cc(F)cc(C(C)=O)c3O)CCO2)cn1 ZINC000190750400 473383999 /nfs/dbraw/zinc/38/39/99/473383999.db2.gz KMFQLGSAOYWUAF-QGZVFWFLSA-N 0 0 347.390 2.524 10 10 EFCERN CN(C)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000150975903 473391101 /nfs/dbraw/zinc/39/11/01/473391101.db2.gz UYCRJOZDKYWMBJ-UHFFFAOYSA-N 0 0 337.427 2.846 10 10 EFCERN CCN(CC)c1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 ZINC000003110928 471433258 /nfs/dbraw/zinc/43/32/58/471433258.db2.gz MSNKNZMXXMEPIY-MRXNPFEDSA-N 0 0 331.416 2.676 10 10 EFCERN CCN(CC)c1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 ZINC000003110927 471433600 /nfs/dbraw/zinc/43/36/00/471433600.db2.gz MSNKNZMXXMEPIY-INIZCTEOSA-N 0 0 331.416 2.676 10 10 EFCERN CC(C)[C@H](C)O[C@@H]1CC(=O)Cc2c(O)c3c(O)ccc(O)c3c(O)c21 ZINC000004568284 471469781 /nfs/dbraw/zinc/46/97/81/471469781.db2.gz TXZSCURPFKHICE-PVRXDPTQSA-N 0 0 346.379 2.502 10 10 EFCERN O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1 ZINC000012405070 471774772 /nfs/dbraw/zinc/77/47/72/471774772.db2.gz GHDZRIQTRDZCMV-UHFFFAOYSA-N 0 0 330.344 2.801 10 10 EFCERN O=C1NC(c2c[nH]c3ccc(O)cc23)=C/C1=C1\C(=O)Nc2ccccc21 ZINC000014829611 471879285 /nfs/dbraw/zinc/87/92/85/471879285.db2.gz XAPNKXIRQFHCHN-QGOAFFKASA-N 0 0 343.342 2.750 10 10 in-vitro EFCERN COc1ccc2c(c1OC)C(=O)N(C)[C@H]2c1ccc(N(C)C)cc1 ZINC000027515333 472179722 /nfs/dbraw/zinc/17/97/22/472179722.db2.gz SIQJCMVLDAAWRI-KRWDZBQOSA-N 0 0 326.396 2.945 10 10 EFCERN O=C(NCc1ccccc1O)C(=O)Nc1ccc2sccc2c1 ZINC000084504733 472186635 /nfs/dbraw/zinc/18/66/35/472186635.db2.gz HVOHOZZSTOLBPL-UHFFFAOYSA-N 0 0 326.377 2.862 10 10 EFCERN CCCc1noc([C@@H](C)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000044584127 472319877 /nfs/dbraw/zinc/31/98/77/472319877.db2.gz MQTLXHONAMDDRP-CQSZACIVSA-N 0 0 330.432 2.914 10 10 EFCERN COc1ccc(N2CCC(N(C)C(=O)COCC3CC3)CC2)cc1 ZINC000069514849 472361095 /nfs/dbraw/zinc/36/10/95/472361095.db2.gz CZOYHBGIXZXWQN-UHFFFAOYSA-N 0 0 332.444 2.549 10 10 EFCERN C[C@H](NC(=O)NCc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000069568795 472371260 /nfs/dbraw/zinc/37/12/60/472371260.db2.gz UTTKYAHXWQPJKG-ZDUSSCGKSA-N 0 0 346.456 2.540 10 10 EFCERN Cc1cc(CNC(=O)CCNC(=O)c2cccs2)ccc1N(C)C ZINC000069870601 472454498 /nfs/dbraw/zinc/45/44/98/472454498.db2.gz VJOMVPUKWIKIAN-UHFFFAOYSA-N 0 0 345.468 2.559 10 10 EFCERN COc1ccc(N2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000117491994 472470236 /nfs/dbraw/zinc/47/02/36/472470236.db2.gz DRHFDMIDGATLAU-UHFFFAOYSA-N 0 0 340.423 2.561 10 10 EFCERN COc1cc(C2(C(=O)NCCc3ccc(O)c(O)c3)CC2)ccc1C ZINC000089647059 472478517 /nfs/dbraw/zinc/47/85/17/472478517.db2.gz SCHJEOZBEBADDS-UHFFFAOYSA-N 0 0 341.407 2.805 10 10 EFCERN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)NC1CC1 ZINC000058003637 472497632 /nfs/dbraw/zinc/49/76/32/472497632.db2.gz LCBCKSGFBJGSLJ-UHFFFAOYSA-N 0 0 331.460 2.996 10 10 EFCERN CCc1nc([C@@H]2CN(Cc3ccc(N(CC)CC)cc3)CCO2)n[nH]1 ZINC000129119898 472523139 /nfs/dbraw/zinc/52/31/39/472523139.db2.gz NTVQSMNIKPACLI-KRWDZBQOSA-N 0 0 343.475 2.787 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000090003006 472577232 /nfs/dbraw/zinc/57/72/32/472577232.db2.gz BRMWOLRMSMMDCZ-CYBMUJFWSA-N 0 0 343.427 2.951 10 10 EFCERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000077824732 472624902 /nfs/dbraw/zinc/62/49/02/472624902.db2.gz BBBDDDSKHNIUIF-JKSUJKDBSA-N 0 0 333.476 2.739 10 10 EFCERN Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c(C)n1-c1ccccn1 ZINC000155864416 472629341 /nfs/dbraw/zinc/62/93/41/472629341.db2.gz VEEWBMJVXSYUAB-RDJZCZTQSA-N 0 0 327.428 2.770 10 10 EFCERN O=C(/N=N/C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000072266057 472640581 /nfs/dbraw/zinc/64/05/81/472640581.db2.gz BOVAQYVXNBAPKA-FOCLMDBBSA-N 0 0 328.240 2.936 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1O ZINC000072524806 472671527 /nfs/dbraw/zinc/67/15/27/472671527.db2.gz PDSJYRKAVYSLPP-CABCVRRESA-N 0 0 344.415 2.580 10 10 EFCERN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)[nH]1 ZINC000062639982 472744461 /nfs/dbraw/zinc/74/44/61/472744461.db2.gz QJWJUSWWOYJPCJ-UHFFFAOYSA-N 0 0 325.412 2.556 10 10 EFCERN CCc1noc([C@@H](C)N2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000121348214 472838812 /nfs/dbraw/zinc/83/88/12/472838812.db2.gz SPLBMHQBFDYXJR-OAHLLOKOSA-N 0 0 343.475 2.577 10 10 EFCERN Oc1cc2c(cc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)OCO2 ZINC000092094975 472856848 /nfs/dbraw/zinc/85/68/48/472856848.db2.gz HZXIODMJUHXJFI-WFASDCNBSA-N 0 0 349.333 2.707 10 10 EFCERN CCCC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079410060 472859544 /nfs/dbraw/zinc/85/95/44/472859544.db2.gz NMFJUXBSIKURHB-OAHLLOKOSA-N 0 0 336.407 2.615 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000108248928 473009166 /nfs/dbraw/zinc/00/91/66/473009166.db2.gz VCWYEIOTDSJCJY-INIZCTEOSA-N 0 0 342.420 2.854 10 10 EFCERN COc1ccc(N2CCN(C[C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051092607 473024758 /nfs/dbraw/zinc/02/47/58/473024758.db2.gz AZDKRWMKQJDSKO-LJQANCHMSA-N 0 0 348.393 2.829 10 10 EFCERN CCOc1ccc(O)c(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000122640287 473040228 /nfs/dbraw/zinc/04/02/28/473040228.db2.gz SQLYJRPKEFSGQL-GOSISDBHSA-N 0 0 345.443 2.505 10 10 EFCERN CC(C)(C)c1cc([C@H]2NC(=O)[C@@H]3COCCN32)c(O)c(C(C)(C)C)c1 ZINC000093883385 473156584 /nfs/dbraw/zinc/15/65/84/473156584.db2.gz ZNRCYDKZMARZGF-RDJZCZTQSA-N 0 0 346.471 2.816 10 10 EFCERN CC(C)(C)c1cc([C@@H]2NC(=O)[C@@H]3COCCN23)c(O)c(C(C)(C)C)c1 ZINC000093883384 473157333 /nfs/dbraw/zinc/15/73/33/473157333.db2.gz ZNRCYDKZMARZGF-DOTOQJQBSA-N 0 0 346.471 2.816 10 10 EFCERN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1O ZINC000075279607 473159774 /nfs/dbraw/zinc/15/97/74/473159774.db2.gz VXPKADJDBIUHBH-KBQPTLSZSA-N 0 0 344.396 2.820 10 10 EFCERN CC(C)c1nnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1C ZINC000111232878 473197875 /nfs/dbraw/zinc/19/78/75/473197875.db2.gz KZAKNMRZPPRMFK-INIZCTEOSA-N 0 0 344.459 2.825 10 10 EFCERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185494915 473443136 /nfs/dbraw/zinc/44/31/36/473443136.db2.gz IARCYPSIQYJXKQ-SFHVURJKSA-N 0 0 331.460 2.611 10 10 EFCERN COc1ccc(CNC(=O)COc2ccc(N3CCCC3)cc2)cc1 ZINC000178194569 473475118 /nfs/dbraw/zinc/47/51/18/473475118.db2.gz GLLYEYRUEXVTPI-UHFFFAOYSA-N 0 0 340.423 2.991 10 10 EFCERN Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c(C)n1-c1ccccn1 ZINC000178328839 473491874 /nfs/dbraw/zinc/49/18/74/473491874.db2.gz WEEGEXLSJKPWSM-ICSRJNTNSA-N 0 0 347.418 2.877 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151841922 473499001 /nfs/dbraw/zinc/49/90/01/473499001.db2.gz IUCJKWJTEAGKNB-LPHOPBHVSA-N 0 0 331.460 2.589 10 10 EFCERN CO[C@@H]1CC[C@H]2OCCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000191451093 473541099 /nfs/dbraw/zinc/54/10/99/473541099.db2.gz MYCWEHHVSYCKEL-WDBKCZKBSA-N 0 0 329.799 2.953 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3cccnc3)C2)c1O ZINC000152347216 473550813 /nfs/dbraw/zinc/55/08/13/473550813.db2.gz FLJMXXNFWFJKDO-INIZCTEOSA-N 0 0 330.359 2.782 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3cccc(O)c3F)ccc21 ZINC000170597064 473559952 /nfs/dbraw/zinc/55/99/52/473559952.db2.gz KQNPPMUBNQJETK-UHFFFAOYSA-N 0 0 328.387 2.773 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)(F)c1ccccn1 ZINC000170608836 473564556 /nfs/dbraw/zinc/56/45/56/473564556.db2.gz ZOEVOCSHNJSBKE-UHFFFAOYSA-N 0 0 333.338 2.665 10 10 EFCERN Cc1cc(C(=O)OC[C@@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1 ZINC000170645784 473573121 /nfs/dbraw/zinc/57/31/21/473573121.db2.gz PGGISUVOMLFXGG-INIZCTEOSA-N 0 0 341.411 2.794 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000115633386 473590426 /nfs/dbraw/zinc/59/04/26/473590426.db2.gz WKIRDGLHPMZOKF-QGZVFWFLSA-N 0 0 327.432 2.913 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000116289947 473647681 /nfs/dbraw/zinc/64/76/81/473647681.db2.gz KIBAMNVVMWAUSW-QGZVFWFLSA-N 0 0 327.428 2.799 10 10 EFCERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccccc1O ZINC000153900619 473647984 /nfs/dbraw/zinc/64/79/84/473647984.db2.gz SWCWBNYQGFXLRM-CQSZACIVSA-N 0 0 343.431 2.784 10 10 EFCERN COc1cccc(N2CCC[C@H](NC(=O)c3cccc(O)c3O)C2)c1 ZINC000187103737 473818847 /nfs/dbraw/zinc/81/88/47/473818847.db2.gz PPOPWHGTCTZVKW-ZDUSSCGKSA-N 0 0 342.395 2.505 10 10 EFCERN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180230636 473834249 /nfs/dbraw/zinc/83/42/49/473834249.db2.gz RXIYIIJCMYBIGV-ABAIWWIYSA-N 0 0 345.270 2.852 10 10 EFCERN Cc1nsc(N2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000180449210 473879177 /nfs/dbraw/zinc/87/91/77/473879177.db2.gz TYRYFFIVVBFMIR-UHFFFAOYSA-N 0 0 338.864 2.836 10 10 EFCERN O=S(=O)(c1cccc2nsnc21)N1CC2(CC2)c2ccccc21 ZINC000194783572 473952651 /nfs/dbraw/zinc/95/26/51/473952651.db2.gz XSEPRJRJMUXZLV-UHFFFAOYSA-N 0 0 343.433 2.932 10 10 EFCERN CCCN(CCc1ccccn1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180994823 473996190 /nfs/dbraw/zinc/99/61/90/473996190.db2.gz XYDQUOVMKIXGPB-VQHVLOKHSA-N 0 0 326.396 2.987 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1F ZINC000181047736 474000372 /nfs/dbraw/zinc/00/03/72/474000372.db2.gz NMUJYQFTHPHTAD-UHFFFAOYSA-N 0 0 336.798 2.940 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000181191511 474015888 /nfs/dbraw/zinc/01/58/88/474015888.db2.gz YVIJNIOFUQEEDT-WPTTZPOMSA-N 0 0 331.393 2.773 10 10 EFCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=COCCC2)cc1 ZINC000264540325 474029678 /nfs/dbraw/zinc/02/96/78/474029678.db2.gz NORXDGZQECJJAV-IBGZPJMESA-N 0 0 344.455 2.955 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282493140 474085725 /nfs/dbraw/zinc/08/57/25/474085725.db2.gz RHAYIXXJWTUVIJ-XHDPSFHLSA-N 0 0 329.400 2.641 10 10 EFCERN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cn[nH]c1 ZINC000270351033 474086040 /nfs/dbraw/zinc/08/60/40/474086040.db2.gz PNJWLMMVCWQICT-CZUORRHYSA-N 0 0 344.415 2.567 10 10 EFCERN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccc(O)c(O)c1 ZINC000182545638 474201614 /nfs/dbraw/zinc/20/16/14/474201614.db2.gz YIHCWOKZZJUKEN-UHFFFAOYSA-N 0 0 342.326 2.751 10 10 EFCERN CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000225342278 474207921 /nfs/dbraw/zinc/20/79/21/474207921.db2.gz LSYOXLAYZMJQKP-WMLDXEAASA-N 0 0 346.814 2.926 10 10 EFCERN COC(C)(C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000289389755 474250183 /nfs/dbraw/zinc/25/01/83/474250183.db2.gz OXOBLQRJLKIBIX-UHFFFAOYSA-N 0 0 342.505 2.718 10 10 EFCERN COc1cccc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)c1O ZINC000183217510 474352546 /nfs/dbraw/zinc/35/25/46/474352546.db2.gz CJJLDPWLCXFKKG-INIZCTEOSA-N 0 0 346.814 2.727 10 10 EFCERN CC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)S1(=O)=O ZINC000289675877 474374741 /nfs/dbraw/zinc/37/47/41/474374741.db2.gz DQTARYAARGDFLI-FZMZJTMJSA-N 0 0 331.865 2.752 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c(C)n1-c1ccccn1 ZINC000189393204 474383280 /nfs/dbraw/zinc/38/32/80/474383280.db2.gz RPMZBNIAMVGZEC-OIISXLGYSA-N 0 0 325.412 2.786 10 10 EFCERN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccc2O)ncn1 ZINC000183596707 474396196 /nfs/dbraw/zinc/39/61/96/474396196.db2.gz SCLGBUYYILVNND-KBPBESRZSA-N 0 0 327.432 2.544 10 10 EFCERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189695573 474464937 /nfs/dbraw/zinc/46/49/37/474464937.db2.gz SAVAMDLZZOXOMQ-BHYGNILZSA-N 0 0 333.428 2.715 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290176575 474560888 /nfs/dbraw/zinc/56/08/88/474560888.db2.gz FAXOUFZSRIMJJO-ZJNRKIDTSA-N 0 0 329.396 2.952 10 10 EFCERN COc1cc(N(C)Cc2cnc([C@@H](C)O)s2)cc(OC)c1OC ZINC000290302889 474565149 /nfs/dbraw/zinc/56/51/49/474565149.db2.gz ICHBRDPSCPHOCR-SNVBAGLBSA-N 0 0 338.429 2.859 10 10 EFCERN Cc1nn(C)c(C)c1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000271584787 474582415 /nfs/dbraw/zinc/58/24/15/474582415.db2.gz RZRPRKFDPCJVKB-UHFFFAOYSA-N 0 0 328.416 2.943 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCOC[C@H]2C)cc1F ZINC000277418636 474584902 /nfs/dbraw/zinc/58/49/02/474584902.db2.gz IAIVPEWCWUVCAA-CZUORRHYSA-N 0 0 337.439 2.896 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCc1cccnc1OC ZINC000290984209 474589052 /nfs/dbraw/zinc/58/90/52/474589052.db2.gz AYUGJJVPOHISTQ-UHFFFAOYSA-N 0 0 343.427 2.960 10 10 EFCERN CO[C@H](C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290977271 474589151 /nfs/dbraw/zinc/58/91/51/474589151.db2.gz CLOFBDOHKHABMT-FMKPAKJESA-N 0 0 336.432 2.506 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000278265820 474604788 /nfs/dbraw/zinc/60/47/88/474604788.db2.gz HSJQYZMTBYZZQD-CYBMUJFWSA-N 0 0 342.321 2.571 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(-n2ccnc2)ccn1 ZINC000272318562 474608616 /nfs/dbraw/zinc/60/86/16/474608616.db2.gz JWZPKVFXUINVOI-UHFFFAOYSA-N 0 0 348.406 2.782 10 10 EFCERN CCc1nocc1CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000292842600 474670076 /nfs/dbraw/zinc/67/00/76/474670076.db2.gz QRFZWCLLTMUJDG-SOFGYWHQSA-N 0 0 345.355 2.968 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccccc2O)C1 ZINC000267518223 474672837 /nfs/dbraw/zinc/67/28/37/474672837.db2.gz LGKQETZKQBZCSL-GOSISDBHSA-N 0 0 334.416 2.656 10 10 EFCERN C[C@H](C(=O)Nc1ccc(O)c(CN2CCOCC2)c1)c1ccccc1 ZINC000252571072 474697671 /nfs/dbraw/zinc/69/76/71/474697671.db2.gz XQFTVWZPNVXQMT-HNNXBMFYSA-N 0 0 340.423 2.967 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)ccc1[N+](=O)[O-] ZINC000278890058 474895805 /nfs/dbraw/zinc/89/58/05/474895805.db2.gz PPALCMHFFUXPEG-GFCCVEGCSA-N 0 0 345.355 2.577 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)c1ccccn1 ZINC000279180857 474962825 /nfs/dbraw/zinc/96/28/25/474962825.db2.gz IFZOLBAAJRILIT-LJQANCHMSA-N 0 0 339.439 2.764 10 10 EFCERN CCOC(=O)c1csc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000294502401 475068607 /nfs/dbraw/zinc/06/86/07/475068607.db2.gz SUBRPZQJKVLQHY-UHFFFAOYSA-N 0 0 347.440 2.769 10 10 EFCERN CO[C@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000294602782 475074086 /nfs/dbraw/zinc/07/40/86/475074086.db2.gz WOLCFBRARUFHIP-MJGOQNOKSA-N 0 0 348.487 2.931 10 10 EFCERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000294941503 475093242 /nfs/dbraw/zinc/09/32/42/475093242.db2.gz LLJUJNHWDZRGCT-BONVTDFDSA-N 0 0 349.333 2.978 10 10 EFCERN COC[C@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000294991602 475096582 /nfs/dbraw/zinc/09/65/82/475096582.db2.gz QLXJGTZMJPBNIP-QQOXCAACSA-N 0 0 334.372 2.644 10 10 EFCERN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)F ZINC000297510450 475789281 /nfs/dbraw/zinc/78/92/81/475789281.db2.gz XRISJDLDTUINSO-GJZGRUSLSA-N 0 0 343.418 2.737 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000373907262 476439370 /nfs/dbraw/zinc/43/93/70/476439370.db2.gz FIMNSWHNUBMEEG-AWEZNQCLSA-N 0 0 343.383 2.769 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(O)c1O ZINC000374727037 476505697 /nfs/dbraw/zinc/50/56/97/476505697.db2.gz QTJWLHJCTZRUFU-WBMJQRKESA-N 0 0 327.380 2.870 10 10 EFCERN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000375414017 476825570 /nfs/dbraw/zinc/82/55/70/476825570.db2.gz HWIHUOFMDTXWQH-GOSISDBHSA-N 0 0 344.430 2.912 10 10 EFCERN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@@H]1C ZINC000408512924 476955866 /nfs/dbraw/zinc/95/58/66/476955866.db2.gz QDJYVNCVIPWIOM-MNOVXSKESA-N 0 0 333.259 2.898 10 10 EFCERN Cc1nc2ccc(N3CC=C(c4ccc(Cl)nc4)CC3)nn2n1 ZINC000376451868 477341330 /nfs/dbraw/zinc/34/13/30/477341330.db2.gz XKTYZTHQNFDDFC-UHFFFAOYSA-N 0 0 326.791 2.775 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000371854862 477528963 /nfs/dbraw/zinc/52/89/63/477528963.db2.gz ZODDRPCLYLIVEZ-FZMZJTMJSA-N 0 0 338.835 2.545 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000372471885 477797678 /nfs/dbraw/zinc/79/76/78/477797678.db2.gz GILCEGPRUIJISW-KRWDZBQOSA-N 0 0 325.412 2.740 10 10 EFCERN Cc1ncc(Cl)c(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000525217296 478392068 /nfs/dbraw/zinc/39/20/68/478392068.db2.gz WQNWYMBYQLRPQB-UHFFFAOYSA-N 0 0 332.791 2.544 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)c1O ZINC000528863281 478964800 /nfs/dbraw/zinc/96/48/00/478964800.db2.gz UPTUDTCPKABJHP-OAHLLOKOSA-N 0 0 344.411 2.711 10 10 EFCERN C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000529499764 479181189 /nfs/dbraw/zinc/18/11/89/479181189.db2.gz ACLSBHRLBKGJIS-IAQYHMDHSA-N 0 0 335.201 2.730 10 10 EFCERN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000529680356 479246476 /nfs/dbraw/zinc/24/64/76/479246476.db2.gz OLIPFNPZXSQRTL-UHFFFAOYSA-N 0 0 328.815 2.923 10 10 EFCERN Cc1ccn([C@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000611657183 479438283 /nfs/dbraw/zinc/43/82/83/479438283.db2.gz JGECSVJSAQPESO-CQSZACIVSA-N 0 0 328.416 2.634 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCCCO)CCCC1 ZINC000651868426 481982538 /nfs/dbraw/zinc/98/25/38/481982538.db2.gz ONXCMNYLTOQUFK-UHFFFAOYSA-N 0 0 344.455 2.760 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000174159466 534002122 /nfs/dbraw/zinc/00/21/22/534002122.db2.gz IANSMMNDGKHUGC-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000065901958 534045328 /nfs/dbraw/zinc/04/53/28/534045328.db2.gz LMFRDKQXDPNZPQ-UHFFFAOYSA-N 0 0 345.830 2.710 10 10 EFCERN CC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000176633158 527959156 /nfs/dbraw/zinc/95/91/56/527959156.db2.gz UZRJAPBTDSQGFF-UHFFFAOYSA-N 0 0 349.450 2.776 10 10 EFCERN CCOc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1F ZINC000174769415 528447627 /nfs/dbraw/zinc/44/76/27/528447627.db2.gz FSGKNGJOCZOJLW-UHFFFAOYSA-N 0 0 348.374 2.938 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000158440526 528786560 /nfs/dbraw/zinc/78/65/60/528786560.db2.gz XFXDVGOCIYGIFK-AWEZNQCLSA-N 0 0 343.475 2.947 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]2CCO[C@H]21 ZINC000246986689 535057010 /nfs/dbraw/zinc/05/70/10/535057010.db2.gz OVEZMYYKSMKEOC-BMGDILEWSA-N 0 0 344.455 2.884 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC[C@H]1OC ZINC000296221136 535261046 /nfs/dbraw/zinc/26/10/46/535261046.db2.gz WVVZKDPNKOGVMY-CRAIPNDOSA-N 0 0 335.444 2.963 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC[C@]4(C3)CCCOC4)ccc21 ZINC000367889996 536395876 /nfs/dbraw/zinc/39/58/76/536395876.db2.gz QGEKWMZDDJFRCO-FQEVSTJZSA-N 0 0 343.471 2.781 10 10 EFCERN COc1ccc(N2CCCN(Cc3nnc(C)n3C3CC3)CC2)cc1 ZINC000195096880 536671395 /nfs/dbraw/zinc/67/13/95/536671395.db2.gz FSJSNDXRFJFRTE-UHFFFAOYSA-N 0 0 341.459 2.642 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2)cc1 ZINC000297776148 536680809 /nfs/dbraw/zinc/68/08/09/536680809.db2.gz GLTFJLPFJQBHFD-UHFFFAOYSA-N 0 0 345.468 2.742 10 10 EFCERN COc1cc(C)cc2c(=O)oc3c(c12)C(=O)c1cccc(O)c1C3=O ZINC000006070259 560205032 /nfs/dbraw/zinc/20/50/32/560205032.db2.gz LUXDHHSVJLVLPS-UHFFFAOYSA-N 0 0 336.299 2.591 10 10 in-vitro EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC2(CC(N)=O)CCC2)cc1 ZINC000754414927 575433535 /nfs/dbraw/zinc/43/35/35/575433535.db2.gz LPAWWIQCKMSUPM-UHFFFAOYSA-N 0 0 325.412 2.622 10 10 EFCERN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000755123868 575546187 /nfs/dbraw/zinc/54/61/87/575546187.db2.gz ZQTJJYOQSRFTJA-KRWDZBQOSA-N 0 0 331.460 2.711 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756508262 575751201 /nfs/dbraw/zinc/75/12/01/575751201.db2.gz GWAWHPFBJWMUIC-HQJQHLMTSA-N 0 0 347.640 2.737 10 10 EFCERN COc1cccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])CC2=O)c1 ZINC000756515371 575752637 /nfs/dbraw/zinc/75/26/37/575752637.db2.gz MABMIPFFIKYKGR-OCCSQVGLSA-N 0 0 344.386 2.996 10 10 EFCERN COc1cccc(N2C[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2=O)c1 ZINC000756515365 575752705 /nfs/dbraw/zinc/75/27/05/575752705.db2.gz MABMIPFFIKYKGR-GXTWGEPZSA-N 0 0 344.386 2.996 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000756536642 575756859 /nfs/dbraw/zinc/75/68/59/575756859.db2.gz SCRPYGMONVINPR-LBPRGKRZSA-N 0 0 347.415 2.969 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000756615060 575767973 /nfs/dbraw/zinc/76/79/73/575767973.db2.gz VJJCFVXKIQSXDN-VXGBXAGGSA-N 0 0 345.443 2.811 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000756616013 575768135 /nfs/dbraw/zinc/76/81/35/575768135.db2.gz YLDFZVBDITZQLO-WCQYABFASA-N 0 0 336.386 2.724 10 10 EFCERN CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2 ZINC000756643531 575771817 /nfs/dbraw/zinc/77/18/17/575771817.db2.gz DMEJXSFSHNCOBG-UHFFFAOYSA-N 0 0 342.439 2.937 10 10 EFCERN Cc1noc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000756684449 575776839 /nfs/dbraw/zinc/77/68/39/575776839.db2.gz AZTABSGSDUKHMJ-SSDOTTSWSA-N 0 0 344.184 2.879 10 10 EFCERN C[C@H](CN(Cc1ccco1)Cc1ccccc1O)CS(C)(=O)=O ZINC000757843584 575854349 /nfs/dbraw/zinc/85/43/49/575854349.db2.gz HGDYMSDAAOYITC-CQSZACIVSA-N 0 0 337.441 2.668 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@@H](C)CS(C)(=O)=O)cc1 ZINC000757974785 575857188 /nfs/dbraw/zinc/85/71/88/575857188.db2.gz OYXVJTGFVVUKOK-CYBMUJFWSA-N 0 0 349.452 2.932 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000758501294 575871063 /nfs/dbraw/zinc/87/10/63/575871063.db2.gz BJBANBUOEZLSJN-UHFFFAOYSA-N 0 0 331.803 2.619 10 10 EFCERN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000759174540 575886262 /nfs/dbraw/zinc/88/62/62/575886262.db2.gz VPKDFGHTORODDD-KGLIPLIRSA-N 0 0 344.249 2.747 10 10 EFCERN COc1cccc(CNC(=O)C(F)(F)c2ccccc2F)c1O ZINC000759213231 575887195 /nfs/dbraw/zinc/88/71/95/575887195.db2.gz IVYMHICSQNXAER-UHFFFAOYSA-N 0 0 325.286 2.948 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC12CCCC2 ZINC000759324810 575889333 /nfs/dbraw/zinc/88/93/33/575889333.db2.gz ZACODUCQNRWLQP-GOSISDBHSA-N 0 0 343.471 2.997 10 10 EFCERN CN(c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1)C1CC1 ZINC000759597278 575906731 /nfs/dbraw/zinc/90/67/31/575906731.db2.gz QIDKPJSMBDAVMU-XVNBXDOJSA-N 0 0 346.408 2.910 10 10 EFCERN CC(C)Oc1ccc(N(C)CC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000759933327 575958004 /nfs/dbraw/zinc/95/80/04/575958004.db2.gz MPIBRMZPMDUNFP-SFHVURJKSA-N 0 0 332.444 2.547 10 10 EFCERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000760955075 576093709 /nfs/dbraw/zinc/09/37/09/576093709.db2.gz NXHHKZIERABOLK-VAGRNTOCSA-N 0 0 333.428 2.805 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000761886250 576225559 /nfs/dbraw/zinc/22/55/59/576225559.db2.gz IYVQPNWCLWXINU-UHFFFAOYSA-N 0 0 340.383 2.861 10 10 EFCERN COCc1nnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000763338771 576373410 /nfs/dbraw/zinc/37/34/10/576373410.db2.gz HMJFUAZVLQYFHE-GFCCVEGCSA-N 0 0 334.445 2.694 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000764468391 576461466 /nfs/dbraw/zinc/46/14/66/576461466.db2.gz HPLBAMYTBCRVCQ-UHFFFAOYSA-N 0 0 343.431 2.745 10 10 EFCERN Cc1cc(C(=O)O[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000764723455 576494462 /nfs/dbraw/zinc/49/44/62/576494462.db2.gz LDACVDHJRBVDKD-OAHLLOKOSA-N 0 0 330.359 2.621 10 10 EFCERN CC(C)C[C@H](C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000765533897 577052321 /nfs/dbraw/zinc/05/23/21/577052321.db2.gz ZKNPSWCCRZTXMM-HNNXBMFYSA-N 0 0 334.460 2.936 10 10 EFCERN CC(C)C[C@@H](C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000765533902 577052421 /nfs/dbraw/zinc/05/24/21/577052421.db2.gz ZKNPSWCCRZTXMM-OAHLLOKOSA-N 0 0 334.460 2.936 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cn2cccc(F)c2n1 ZINC000765654972 577063102 /nfs/dbraw/zinc/06/31/02/577063102.db2.gz BNJILPOTHBIKPR-UHFFFAOYSA-N 0 0 326.375 2.938 10 10 EFCERN CC(C)COCCC(=O)NCc1cccc(Br)c1O ZINC000765758465 577073399 /nfs/dbraw/zinc/07/33/99/577073399.db2.gz XODCQZFECRJPON-UHFFFAOYSA-N 0 0 330.222 2.834 10 10 EFCERN CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1ccccc1O ZINC000766815801 577183631 /nfs/dbraw/zinc/18/36/31/577183631.db2.gz YJFDXTOZYXXTRD-UHFFFAOYSA-N 0 0 341.415 2.929 10 10 EFCERN CCC(C)(CC)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000767071270 577195177 /nfs/dbraw/zinc/19/51/77/577195177.db2.gz HKUBPHXDOYAUPZ-UHFFFAOYSA-N 0 0 347.503 2.760 10 10 EFCERN COc1cccc(CNC(=O)CCC(=O)c2cccc(F)c2)c1O ZINC000767797644 577234563 /nfs/dbraw/zinc/23/45/63/577234563.db2.gz WYVWCSGCTLSROB-UHFFFAOYSA-N 0 0 331.343 2.819 10 10 EFCERN CCOc1cccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000768253086 577263197 /nfs/dbraw/zinc/26/31/97/577263197.db2.gz YQDPOOXNUNAWPG-UHFFFAOYSA-N 0 0 334.460 2.871 10 10 EFCERN Cc1ccc(O)c(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000768333700 577266675 /nfs/dbraw/zinc/26/66/75/577266675.db2.gz HBJFUGWISKHUSU-UHFFFAOYSA-N 0 0 346.377 2.937 10 10 EFCERN COc1cc(CN2CCN(C(=O)C3CCCCC3)CC2)c(O)cc1C ZINC000768439886 577273404 /nfs/dbraw/zinc/27/34/04/577273404.db2.gz LZLLHSHAZBZJCX-UHFFFAOYSA-N 0 0 346.471 2.934 10 10 EFCERN COc1cc(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c(O)cc1C ZINC000768444522 577274080 /nfs/dbraw/zinc/27/40/80/577274080.db2.gz MAXPXHIAQRBVFQ-MRXNPFEDSA-N 0 0 345.399 2.543 10 10 EFCERN COc1cccc2c1N(Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768463694 577276050 /nfs/dbraw/zinc/27/60/50/577276050.db2.gz VRYUMDTUDCPUBW-INIZCTEOSA-N 0 0 327.380 2.779 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NCC1(CCO)CCC1 ZINC000769025668 577325005 /nfs/dbraw/zinc/32/50/05/577325005.db2.gz WYVRODYEGSLJTK-UHFFFAOYSA-N 0 0 331.460 2.639 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@@H]2CCO)c(C)n1-c1ccccc1C ZINC000769045423 577327528 /nfs/dbraw/zinc/32/75/28/577327528.db2.gz ISJYKGGOASXIKR-KRWDZBQOSA-N 0 0 342.439 2.626 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000769334246 577353034 /nfs/dbraw/zinc/35/30/34/577353034.db2.gz ZNSJKMVRJSRKHY-GOSISDBHSA-N 0 0 334.460 2.687 10 10 EFCERN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000769499466 577367430 /nfs/dbraw/zinc/36/74/30/577367430.db2.gz YPONLTPSSOBKBG-CZUORRHYSA-N 0 0 344.377 2.675 10 10 EFCERN CCOc1ccc(C(=O)NCc2cc(OC)ccc2O)cc1[N+](=O)[O-] ZINC000769529781 577370454 /nfs/dbraw/zinc/37/04/54/577370454.db2.gz UTTINGDVLUMKPM-UHFFFAOYSA-N 0 0 346.339 2.638 10 10 EFCERN Cn1ncc(NCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1 ZINC000769925633 577393809 /nfs/dbraw/zinc/39/38/09/577393809.db2.gz SQRBXECFMSSKJK-UHFFFAOYSA-N 0 0 330.407 2.885 10 10 EFCERN Cc1cc(C(=O)O[C@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000770000101 577397076 /nfs/dbraw/zinc/39/70/76/577397076.db2.gz RFRKPEOKNMOJTN-HNNXBMFYSA-N 0 0 332.787 2.793 10 10 EFCERN C[S@@](=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000770220219 577407545 /nfs/dbraw/zinc/40/75/45/577407545.db2.gz AAXIZMGKXYITSU-XMMPIXPASA-N 0 0 342.464 2.954 10 10 EFCERN CCN(CC)c1ccc(CN2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000770392358 577414901 /nfs/dbraw/zinc/41/49/01/577414901.db2.gz QWAPQNXAEOBXPO-OAHLLOKOSA-N 0 0 335.423 2.698 10 10 EFCERN Cc1ccc(C(=O)OCCOCCOc2ccccc2)c(O)c1O ZINC000727004087 577428956 /nfs/dbraw/zinc/42/89/56/577428956.db2.gz NLJKSTMMMWZHIZ-UHFFFAOYSA-N 0 0 332.352 2.659 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770752855 581133621 /nfs/dbraw/zinc/13/36/21/581133621.db2.gz VAPJRTURCGZDKB-IUODEOHRSA-N 0 0 342.233 2.582 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752854 581133628 /nfs/dbraw/zinc/13/36/28/581133628.db2.gz VAPJRTURCGZDKB-DOMZBBRYSA-N 0 0 342.233 2.582 10 10 EFCERN Cc1nc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)sc1C ZINC000771953977 581263877 /nfs/dbraw/zinc/26/38/77/581263877.db2.gz NCCSGKTTZHUSDK-UHFFFAOYSA-N 0 0 339.486 2.613 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1ccccn1 ZINC000772603638 581345792 /nfs/dbraw/zinc/34/57/92/581345792.db2.gz KJNPYGCYTIXTAK-UHFFFAOYSA-N 0 0 326.444 2.888 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C/c1cncc2ccccc12 ZINC000772796649 581369364 /nfs/dbraw/zinc/36/93/64/581369364.db2.gz JABPSXLNFUTPEM-OQLLNIDSSA-N 0 0 325.393 2.537 10 10 EFCERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773002070 581386722 /nfs/dbraw/zinc/38/67/22/581386722.db2.gz XCTQDCHAZPAUGW-HUUCEWRRSA-N 0 0 339.439 2.748 10 10 EFCERN C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000773012664 581387738 /nfs/dbraw/zinc/38/77/38/581387738.db2.gz VOCMGLAPDFNNLE-AWEZNQCLSA-N 0 0 335.411 2.824 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773397970 581426887 /nfs/dbraw/zinc/42/68/87/581426887.db2.gz NVDJGWSBZFGWRZ-TZMCWYRMSA-N 0 0 329.448 2.776 10 10 EFCERN C[C@H](NC(=O)NCc1noc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000773417131 581428446 /nfs/dbraw/zinc/42/84/46/581428446.db2.gz BWPFPOKQTNLPCR-NSHDSACASA-N 0 0 329.404 2.573 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910462 581503856 /nfs/dbraw/zinc/50/38/56/581503856.db2.gz AWSDVULWQSJXFH-GXTWGEPZSA-N 0 0 336.388 2.558 10 10 EFCERN C[C@@H]1C[C@@H]1n1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001707998777 1248810848 /nfs/dbraw/zinc/81/08/48/1248810848.db2.gz ATURHBHGINFAPD-SNPRPXQTSA-N 0 0 328.416 2.705 10 10 EFCERN CC(C)CC(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001744933053 1248910379 /nfs/dbraw/zinc/91/03/79/1248910379.db2.gz KNXFNTVVKUUTSY-GFCCVEGCSA-N 0 0 347.419 2.520 10 10 EFCERN COc1ccc(N2CC[C@H](NCc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000850345492 1250442721 /nfs/dbraw/zinc/44/27/21/1250442721.db2.gz BZCQMLYHRYZIJD-INIZCTEOSA-N 0 0 349.438 2.644 10 10 EFCERN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1(=O)=O ZINC000850367961 1250450533 /nfs/dbraw/zinc/45/05/33/1250450533.db2.gz GCJYJIPZINVJOZ-KWQFWETISA-N 0 0 338.256 2.754 10 10 EFCERN CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000850486921 1250503943 /nfs/dbraw/zinc/50/39/43/1250503943.db2.gz WIJQLZAUYKOXOZ-AWEZNQCLSA-N 0 0 329.437 2.787 10 10 EFCERN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850497596 1250512635 /nfs/dbraw/zinc/51/26/35/1250512635.db2.gz VYNBISPLIBNTRM-QFWYVNQISA-N 0 0 331.306 2.632 10 10 EFCERN COC(=O)c1ccc(O)c([C@H](C)NCc2nccc(OC)c2F)c1 ZINC000850537523 1250528761 /nfs/dbraw/zinc/52/87/61/1250528761.db2.gz RKZOOFVPFLJJSC-JTQLQIEISA-N 0 0 334.347 2.572 10 10 EFCERN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(Cl)c1[O-] ZINC000850546824 1250530365 /nfs/dbraw/zinc/53/03/65/1250530365.db2.gz OKXCTBPHSHLLCF-APPZFPTMSA-N 0 0 347.640 2.737 10 10 EFCERN C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)cc(F)c1[O-] ZINC000850560324 1250538266 /nfs/dbraw/zinc/53/82/66/1250538266.db2.gz DIJDCXRXGNJBFS-AAEUAGOBSA-N 0 0 339.386 2.611 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574579 1250543972 /nfs/dbraw/zinc/54/39/72/1250543972.db2.gz ZOAFWKQDYLBXPX-CYBMUJFWSA-N 0 0 348.443 2.655 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000850752684 1250594219 /nfs/dbraw/zinc/59/42/19/1250594219.db2.gz RHQCQRWTFDHJFU-HNNXBMFYSA-N 0 0 326.400 2.678 10 10 EFCERN COc1ccc(CNC(=O)NCc2noc3cc(F)ccc23)c(O)c1 ZINC001687408082 1251626665 /nfs/dbraw/zinc/62/66/65/1251626665.db2.gz JTEGTWVCHROHBE-UHFFFAOYSA-N 0 0 345.330 2.681 10 10 EFCERN O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cc(Cl)ccc1O ZINC000867463988 1256389432 /nfs/dbraw/zinc/38/94/32/1256389432.db2.gz VVSIVZMHHOYDOQ-VIFPVBQESA-N 0 0 325.764 2.510 10 10 EFCERN Cc1cc(Br)c(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000843055012 1258307934 /nfs/dbraw/zinc/30/79/34/1258307934.db2.gz DAYJEVGMXOZIQO-CYBMUJFWSA-N 0 0 325.250 2.789 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922544595 1266240130 /nfs/dbraw/zinc/24/01/30/1266240130.db2.gz BINUUGRWGXXZCR-SFCGBDQTSA-N 0 0 332.274 2.764 10 10 EFCERN Oc1ccc(Br)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000843418066 1260250362 /nfs/dbraw/zinc/25/03/62/1260250362.db2.gz PKFCEAWUDHPOKJ-AWEZNQCLSA-N 0 0 344.274 2.863 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2cnn(C)c2n1 ZINC001128137470 1261328141 /nfs/dbraw/zinc/32/81/41/1261328141.db2.gz LWUFENXIDQYFDN-ZDUSSCGKSA-N 0 0 337.427 2.834 10 10 EFCERN CC(C)(C)OC(=O)CCCCNC(=O)NCc1c(O)cccc1F ZINC000921792487 1261448962 /nfs/dbraw/zinc/44/89/62/1261448962.db2.gz XXBULDIGEOBDJA-UHFFFAOYSA-N 0 0 340.395 2.843 10 10 EFCERN Cn1cnc(/C=C/C(=O)N2CCOc3ccc(Br)cc32)c1 ZINC001128164567 1262907837 /nfs/dbraw/zinc/90/78/37/1262907837.db2.gz JJSMORIVVUXVBN-HWKANZROSA-N 0 0 348.200 2.621 10 10 EFCERN COc1ccc2c(c1)[C@@H](NC(=O)NCc1c(O)cccc1F)CCO2 ZINC000922017082 1264131444 /nfs/dbraw/zinc/13/14/44/1264131444.db2.gz TYHIDRPLMFDCFW-HNNXBMFYSA-N 0 0 346.358 2.863 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824653617 1278216846 /nfs/dbraw/zinc/21/68/46/1278216846.db2.gz CNOJZKOGMVYUQJ-JTNHKYCSSA-N 0 0 329.799 2.547 10 10 EFCERN C[C@@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 ZINC000922056349 1264231188 /nfs/dbraw/zinc/23/11/88/1264231188.db2.gz YOVHEPRHHFJLML-VUNQQRPYSA-N 0 0 329.444 2.704 10 10 EFCERN CC(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccnn1C ZINC000922146590 1264532044 /nfs/dbraw/zinc/53/20/44/1264532044.db2.gz VISPTRNAMHGIET-LBPRGKRZSA-N 0 0 334.395 2.504 10 10 EFCERN CCC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000733312095 1265156187 /nfs/dbraw/zinc/15/61/87/1265156187.db2.gz CMTRATMPFIQWJT-HNNXBMFYSA-N 0 0 340.489 2.583 10 10 EFCERN COc1ccc(N2CCN(S(=O)(=O)CCC(C)(C)C)CC2)cc1 ZINC000733312057 1265156653 /nfs/dbraw/zinc/15/66/53/1265156653.db2.gz AVPMNOYDNPZIQV-UHFFFAOYSA-N 0 0 340.489 2.583 10 10 EFCERN Oc1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613388 1265316863 /nfs/dbraw/zinc/31/68/63/1265316863.db2.gz QOCDSCMJGXXCED-RBUKOAKNSA-N 0 0 349.471 2.693 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC001168730696 1266479348 /nfs/dbraw/zinc/47/93/48/1266479348.db2.gz PPKARAIRPCICSO-HUUCEWRRSA-N 0 0 330.388 2.927 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC001168730694 1266480285 /nfs/dbraw/zinc/48/02/85/1266480285.db2.gz PPKARAIRPCICSO-CABCVRRESA-N 0 0 330.388 2.927 10 10 EFCERN Cc1cc(CC[NH2+]Cc2cc(C)cc(Br)c2[O-])nn1C ZINC000922690218 1266596170 /nfs/dbraw/zinc/59/61/70/1266596170.db2.gz GMPUDDMRLQBDRS-UHFFFAOYSA-N 0 0 338.249 2.837 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799785 1278290341 /nfs/dbraw/zinc/29/03/41/1278290341.db2.gz QYPUQGQTUHJULA-WFASDCNBSA-N 0 0 338.404 2.850 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)cs1 ZINC000734513580 1266998686 /nfs/dbraw/zinc/99/86/86/1266998686.db2.gz NBYWWOPJYOJSDE-UHFFFAOYSA-N 0 0 347.318 2.937 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000734688332 1267065269 /nfs/dbraw/zinc/06/52/69/1267065269.db2.gz MILGHNHGKXPMEP-UHFFFAOYSA-N 0 0 341.459 2.873 10 10 EFCERN C[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000735134506 1267207912 /nfs/dbraw/zinc/20/79/12/1267207912.db2.gz GNBXWGUNYYNCJH-LBPRGKRZSA-N 0 0 349.408 2.724 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2nc3c(s2)CCC3)cc1OC ZINC000736309392 1267565325 /nfs/dbraw/zinc/56/53/25/1267565325.db2.gz WLCQFNIRIBGXKU-UHFFFAOYSA-N 0 0 347.440 2.724 10 10 EFCERN C[C@@H](NC(=O)Nc1ccc2c(n1)OCCO2)c1ccc(N(C)C)cc1 ZINC000825014091 1278382947 /nfs/dbraw/zinc/38/29/47/1278382947.db2.gz XJZQJODENAZZCL-GFCCVEGCSA-N 0 0 342.399 2.802 10 10 EFCERN Cc1cnc2c(cnn2CC(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001128603456 1268932602 /nfs/dbraw/zinc/93/26/02/1268932602.db2.gz IXYFDDGSGJBSSC-UHFFFAOYSA-N 0 0 342.746 2.568 10 10 EFCERN Cc1cc(CCNC(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000740468964 1268958948 /nfs/dbraw/zinc/95/89/48/1268958948.db2.gz UIQXXUXDYJPPTB-QGZVFWFLSA-N 0 0 341.455 2.660 10 10 EFCERN COc1ccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)nc1 ZINC000825305876 1278500314 /nfs/dbraw/zinc/50/03/14/1278500314.db2.gz VFKBUPBOAWBTTO-UHFFFAOYSA-N 0 0 333.819 2.771 10 10 EFCERN CCN1C(=O)/C(=C\c2ccc(-n3cncn3)c(C)c2)SC1=S ZINC000742429111 1270060435 /nfs/dbraw/zinc/06/04/35/1270060435.db2.gz HWDVVQDEKGRIJK-NTUHNPAUSA-N 0 0 330.438 2.797 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@]34C[C@H]3COC4(C)C)CC2)cc1 ZINC000825425835 1278547643 /nfs/dbraw/zinc/54/76/43/1278547643.db2.gz MALCXSOMDXOICI-XOBRGWDASA-N 0 0 344.455 2.595 10 10 EFCERN C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000743559312 1270632144 /nfs/dbraw/zinc/63/21/44/1270632144.db2.gz GZCOEVWHLPFLGQ-HZPDHXFCSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1ccc2[nH]c(CNC(=O)NCc3ccc(N(C)C)cc3)nc2c1 ZINC000744451608 1271053635 /nfs/dbraw/zinc/05/36/35/1271053635.db2.gz CSHAVWXWPJMMHI-UHFFFAOYSA-N 0 0 337.427 2.937 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000843851841 1278608386 /nfs/dbraw/zinc/60/83/86/1278608386.db2.gz QYILRJRSJUKDSI-QWHCGFSZSA-N 0 0 331.416 2.555 10 10 EFCERN CCOc1ccc(CN[C@H](C(=O)OC)c2cccc(O)c2)c(O)c1 ZINC000792180072 1278620311 /nfs/dbraw/zinc/62/03/11/1278620311.db2.gz KZKKQUGPSURGRZ-KRWDZBQOSA-N 0 0 331.368 2.500 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000746034996 1271724882 /nfs/dbraw/zinc/72/48/82/1271724882.db2.gz MPSDTRCGQWWFMT-UHFFFAOYSA-N 0 0 343.383 2.705 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCc1ncn(C)n1 ZINC000843975097 1278704420 /nfs/dbraw/zinc/70/44/20/1278704420.db2.gz NXIVWXHKNRXQTM-UHFFFAOYSA-N 0 0 343.456 2.647 10 10 EFCERN O=C(c1cccc(O)c1O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000843978927 1278705050 /nfs/dbraw/zinc/70/50/50/1278705050.db2.gz ZMUSFWJWNHDGIR-QGZVFWFLSA-N 0 0 341.407 2.901 10 10 EFCERN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Br)cc(F)c1[O-] ZINC000756489581 1272918043 /nfs/dbraw/zinc/91/80/43/1272918043.db2.gz QBKLWNWRNRTKCD-DTWKUNHWSA-N 0 0 343.200 2.625 10 10 EFCERN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844218366 1278793364 /nfs/dbraw/zinc/79/33/64/1278793364.db2.gz PVEXRHDFTFKFMO-BBUPELFUSA-N 0 0 345.399 2.756 10 10 EFCERN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844218769 1278793871 /nfs/dbraw/zinc/79/38/71/1278793871.db2.gz PVEXRHDFTFKFMO-RLWBPUTGSA-N 0 0 345.399 2.756 10 10 EFCERN C[NH+](C)[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210455 1278812788 /nfs/dbraw/zinc/81/27/88/1278812788.db2.gz YDVGZSZACCNNMZ-IQCBXXCUSA-N 0 0 333.388 2.613 10 10 EFCERN CON(C)C(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000746500518 1274489446 /nfs/dbraw/zinc/48/94/46/1274489446.db2.gz CVBRKTQJSUWPQU-UHFFFAOYSA-N 0 0 348.424 2.546 10 10 EFCERN O=S(=O)(Nc1ccc(O)cc1F)c1cnccc1C(F)(F)F ZINC000785488351 1275098160 /nfs/dbraw/zinc/09/81/60/1275098160.db2.gz STKJAJRHDAIWBZ-UHFFFAOYSA-N 0 0 336.266 2.746 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccccc1C ZINC000785775472 1275184466 /nfs/dbraw/zinc/18/44/66/1275184466.db2.gz KKAWJHGFHPVXOM-UHFFFAOYSA-N 0 0 327.380 2.775 10 10 EFCERN CO[C@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786851786 1275556811 /nfs/dbraw/zinc/55/68/11/1275556811.db2.gz QZTJULBZLIWUAF-CQSZACIVSA-N 0 0 347.381 2.861 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000786950587 1275586947 /nfs/dbraw/zinc/58/69/47/1275586947.db2.gz PRAWHAIRYAGOAD-RNCFNFMXSA-N 0 0 335.322 2.797 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(O)cc1 ZINC000786952172 1275586996 /nfs/dbraw/zinc/58/69/96/1275586996.db2.gz FMDSDOJFUGCTPD-IBGZPJMESA-N 0 0 340.423 2.996 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(O)cc1 ZINC000786952173 1275587191 /nfs/dbraw/zinc/58/71/91/1275587191.db2.gz FMDSDOJFUGCTPD-LJQANCHMSA-N 0 0 340.423 2.996 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(CC(F)(F)F)c1 ZINC000786987617 1275611833 /nfs/dbraw/zinc/61/18/33/1275611833.db2.gz GKQUDGLNHNTSPR-UHFFFAOYSA-N 0 0 340.349 2.750 10 10 EFCERN CO[C@@H](C(=O)NCCCSc1nccs1)c1ccc(O)cc1 ZINC000787349508 1275764543 /nfs/dbraw/zinc/76/45/43/1275764543.db2.gz NEZLEGDFDHMQKK-CYBMUJFWSA-N 0 0 338.454 2.835 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000787547753 1275799061 /nfs/dbraw/zinc/79/90/61/1275799061.db2.gz SXTGLNUNGSEKSJ-LBPRGKRZSA-N 0 0 340.395 2.998 10 10 EFCERN COCCN(Cc1scnc1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000787685952 1275857605 /nfs/dbraw/zinc/85/76/05/1275857605.db2.gz SFDJHJYLDUGYHU-GQCTYLIASA-N 0 0 348.424 2.551 10 10 EFCERN COc1ccc(N2CCCN(C(=O)NCCOC(C)(C)C)CC2)cc1 ZINC000746727016 1276024663 /nfs/dbraw/zinc/02/46/63/1276024663.db2.gz ILSIOSSGRNQHNL-UHFFFAOYSA-N 0 0 349.475 2.732 10 10 EFCERN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCCO1 ZINC000788533008 1276223318 /nfs/dbraw/zinc/22/33/18/1276223318.db2.gz BWCNQCFOGKBERL-UONOGXRCSA-N 0 0 344.249 2.747 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@H](C)CC1 ZINC000922913292 1276327028 /nfs/dbraw/zinc/32/70/28/1276327028.db2.gz SFCOOMUUEFPQSE-JKSUJKDBSA-N 0 0 333.476 2.812 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CCOC2CCOCC2)c1 ZINC000922930600 1276352046 /nfs/dbraw/zinc/35/20/46/1276352046.db2.gz UGIFSOBUKCOFGL-UHFFFAOYSA-N 0 0 344.249 2.748 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCC2(CO)CC3(CCC3)C2)cc1F ZINC000788927349 1276384446 /nfs/dbraw/zinc/38/44/46/1276384446.db2.gz SIJQBGOXVLKNGS-UHFFFAOYSA-N 0 0 349.450 2.634 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922955971 1276401484 /nfs/dbraw/zinc/40/14/84/1276401484.db2.gz WPKZXBQXZDQYQV-GFCCVEGCSA-N 0 0 328.815 2.528 10 10 EFCERN O=[N+]([O-])c1cc(CNCc2cncc(O)c2)ccc1N1CCCCC1 ZINC000922976825 1276451556 /nfs/dbraw/zinc/45/15/56/1276451556.db2.gz IIIIYBFPOJQEBC-UHFFFAOYSA-N 0 0 342.399 2.976 10 10 EFCERN CCOc1ccc(O)c(CN[C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000818230486 1276495865 /nfs/dbraw/zinc/49/58/65/1276495865.db2.gz CIGHVONDJJHFKN-JTQLQIEISA-N 0 0 336.413 2.885 10 10 EFCERN COCCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccccc1O ZINC000818278779 1276514798 /nfs/dbraw/zinc/51/47/98/1276514798.db2.gz WBIMZTJHZHHJCD-HNNXBMFYSA-N 0 0 348.472 2.835 10 10 EFCERN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818362589 1276520157 /nfs/dbraw/zinc/52/01/57/1276520157.db2.gz XUJICUXFHQTDMH-MNOVXSKESA-N 0 0 345.226 2.887 10 10 EFCERN Nc1ccc(CCNC(=O)c2cccc(OCC(F)(F)F)n2)cc1 ZINC000818544658 1276532393 /nfs/dbraw/zinc/53/23/93/1276532393.db2.gz GEYVZPCZYKQULK-UHFFFAOYSA-N 0 0 339.317 2.577 10 10 EFCERN COC(=O)c1conc1C(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000822534873 1289013718 /nfs/dbraw/zinc/01/37/18/1289013718.db2.gz ZPWFPCJFOCBOHC-UHFFFAOYSA-N 0 0 335.379 2.691 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000819164323 1276650484 /nfs/dbraw/zinc/65/04/84/1276650484.db2.gz GXKUTEFIOYLNHQ-CVEARBPZSA-N 0 0 340.354 2.852 10 10 EFCERN COc1ccc(N2CCC(NC(=O)/C=C\[C@H]3CCCO3)CC2)cc1 ZINC000819218765 1276693128 /nfs/dbraw/zinc/69/31/28/1276693128.db2.gz KJKLRRMOZBWAGQ-CNZFZVQHSA-N 0 0 330.428 2.515 10 10 EFCERN CC(=O)Nc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000746802948 1276694834 /nfs/dbraw/zinc/69/48/34/1276694834.db2.gz GZGDGVUXYHGWQK-UHFFFAOYSA-N 0 0 329.375 2.780 10 10 EFCERN COC(=O)[C@H](NCc1cc(C)cc(Br)c1O)C1CC1 ZINC000789573256 1276820285 /nfs/dbraw/zinc/82/02/85/1276820285.db2.gz IKJHCKVFVIRDCW-GFCCVEGCSA-N 0 0 328.206 2.504 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C3(C(F)(F)F)CC3)C2)cc1 ZINC000819582152 1276825792 /nfs/dbraw/zinc/82/57/92/1276825792.db2.gz IRLFHLRPWKZKAZ-GFCCVEGCSA-N 0 0 342.361 2.980 10 10 EFCERN CCOC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC000789581553 1276830069 /nfs/dbraw/zinc/83/00/69/1276830069.db2.gz NURZYVSFGLUZQJ-OAHLLOKOSA-N 0 0 341.835 2.802 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3cncc(Cl)c3)C2)cc1 ZINC000819588300 1276831392 /nfs/dbraw/zinc/83/13/92/1276831392.db2.gz WEMUUXLOJOPJEY-ZDUSSCGKSA-N 0 0 345.830 3.000 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](O)CC(C)(C)C)C2)cc1 ZINC000819591475 1276834041 /nfs/dbraw/zinc/83/40/41/1276834041.db2.gz SCPTWUKLUIENRV-DOTOQJQBSA-N 0 0 348.487 2.825 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3ccn(C)c3C)C2)cc1 ZINC000819591978 1276836479 /nfs/dbraw/zinc/83/64/79/1276836479.db2.gz ZAAXERCJQHIQIW-OAHLLOKOSA-N 0 0 327.428 2.598 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(C)sc1C ZINC000819697662 1276877068 /nfs/dbraw/zinc/87/70/68/1276877068.db2.gz YTSONVUQPBDPIF-UHFFFAOYSA-N 0 0 348.424 2.671 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnc([C@@H](C)O)s2)cc1 ZINC001136300559 1277014567 /nfs/dbraw/zinc/01/45/67/1277014567.db2.gz VKXGISKPCIVKIU-GFCCVEGCSA-N 0 0 333.457 2.973 10 10 EFCERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c(F)ccc(O)c1O ZINC000789946924 1277112833 /nfs/dbraw/zinc/11/28/33/1277112833.db2.gz ORQNVKWPQXMHNV-UHFFFAOYSA-N 0 0 341.342 2.695 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)cc1 ZINC000923188239 1277176951 /nfs/dbraw/zinc/17/69/51/1277176951.db2.gz QNUMCPBBWISFIQ-HNAYVOBHSA-N 0 0 347.459 2.532 10 10 EFCERN O=C(NCc1cccnc1N1CCCC1)NCc1c(O)cccc1F ZINC000923196412 1277199659 /nfs/dbraw/zinc/19/96/59/1277199659.db2.gz HWYDQDWDAFAFLW-UHFFFAOYSA-N 0 0 344.390 2.526 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000821064915 1277424971 /nfs/dbraw/zinc/42/49/71/1277424971.db2.gz IPCDYAHKAFLEFJ-IACUBPJLSA-N 0 0 349.427 2.946 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2SC)cc1 ZINC000790358852 1277460863 /nfs/dbraw/zinc/46/08/63/1277460863.db2.gz FXZLSIRRIDCLQA-UHFFFAOYSA-N 0 0 332.473 2.918 10 10 EFCERN Cc1cc(CC(=O)N2CCC[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000821358553 1277529082 /nfs/dbraw/zinc/52/90/82/1277529082.db2.gz DBBBDGFUPVKGTH-QGZVFWFLSA-N 0 0 326.440 2.868 10 10 EFCERN CCCn1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000821420481 1277545533 /nfs/dbraw/zinc/54/55/33/1277545533.db2.gz BWDCONBHJVIEOG-AWEZNQCLSA-N 0 0 343.431 2.702 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnn(C)c2C)cc1 ZINC000790502927 1277613715 /nfs/dbraw/zinc/61/37/15/1277613715.db2.gz YEAVEOLICZCMGT-UHFFFAOYSA-N 0 0 343.475 2.916 10 10 EFCERN COc1ccc(CNC(=O)c2cccc(O)c2O)cc1OC(F)F ZINC000790535051 1277637800 /nfs/dbraw/zinc/63/78/00/1277637800.db2.gz AYGYFQLYRIJUDW-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000790637775 1277693465 /nfs/dbraw/zinc/69/34/65/1277693465.db2.gz ZJYNULGWFAODOO-UHFFFAOYSA-N 0 0 325.271 2.587 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)OCCC2CS(=O)(=O)C2)cc1 ZINC000790643594 1277716066 /nfs/dbraw/zinc/71/60/66/1277716066.db2.gz QMCYUTAVCSYUKB-UHFFFAOYSA-N 0 0 347.436 2.686 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000815073442 1287298838 /nfs/dbraw/zinc/29/88/38/1287298838.db2.gz NIADIHWVHVNVQU-RBUKOAKNSA-N 0 0 346.471 2.939 10 10 EFCERN Cc1cccc(C2(O)CCN(C(=O)c3cccc(O)c3O)CC2)c1C ZINC000790786237 1277772993 /nfs/dbraw/zinc/77/29/93/1277772993.db2.gz UGNFWIOIIVYLPG-UHFFFAOYSA-N 0 0 341.407 2.838 10 10 EFCERN COc1ccc(/C=C\C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC001175037075 1287300802 /nfs/dbraw/zinc/30/08/02/1287300802.db2.gz BSQDQQDWEMHWJS-CLFYSBASSA-N 0 0 325.364 2.965 10 10 EFCERN CC[C@H](C)n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000790866504 1277812918 /nfs/dbraw/zinc/81/29/18/1277812918.db2.gz NURGXIPNPUJNRX-NEPJUHHUSA-N 0 0 331.416 2.935 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)n[nH]1 ZINC000791208674 1277997234 /nfs/dbraw/zinc/99/72/34/1277997234.db2.gz KZQOEKIUDWDKRM-UHFFFAOYSA-N 0 0 349.232 2.702 10 10 EFCERN CC[C@H](C)CC[C@@H](O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000792800027 1279160691 /nfs/dbraw/zinc/16/06/91/1279160691.db2.gz CXVVJOASGXUTMF-FUHWJXTLSA-N 0 0 348.487 2.921 10 10 EFCERN CC[C@H](C)CC[C@H](O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000792800029 1279160896 /nfs/dbraw/zinc/16/08/96/1279160896.db2.gz CXVVJOASGXUTMF-WMZOPIPTSA-N 0 0 348.487 2.921 10 10 EFCERN Oc1cc2c(cc1CN1CCn3c(CC4CC4)nnc3C1)CCCC2 ZINC000844718137 1279197810 /nfs/dbraw/zinc/19/78/10/1279197810.db2.gz FVJZAMGHAGGCPM-UHFFFAOYSA-N 0 0 338.455 2.831 10 10 EFCERN Cn1nccc1[C@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000844758690 1279226002 /nfs/dbraw/zinc/22/60/02/1279226002.db2.gz UOBZRJBIESJECW-MRXNPFEDSA-N 0 0 345.443 2.702 10 10 EFCERN Cc1cc(CCNC(=O)CC2OCCCO2)c(C)n1-c1ccccc1 ZINC000792885991 1279241594 /nfs/dbraw/zinc/24/15/94/1279241594.db2.gz HVYQUUAWSUBVJB-UHFFFAOYSA-N 0 0 342.439 2.906 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000844777374 1279246966 /nfs/dbraw/zinc/24/69/66/1279246966.db2.gz JZAAFAURRYHOJU-MGPUTAFESA-N 0 0 341.455 2.848 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000844856160 1279286224 /nfs/dbraw/zinc/28/62/24/1279286224.db2.gz DZCOHGPBZULCIG-ZIAGYGMSSA-N 0 0 330.350 2.788 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@@H]2OC)cc1 ZINC000844857448 1279287741 /nfs/dbraw/zinc/28/77/41/1279287741.db2.gz XOTPELDKLHPPML-MSOLQXFVSA-N 0 0 334.460 2.795 10 10 EFCERN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)c1c(C)nn(C)c1C ZINC000792965143 1279309877 /nfs/dbraw/zinc/30/98/77/1279309877.db2.gz NGBCDBDFMQCQSB-HNNXBMFYSA-N 0 0 346.431 2.702 10 10 EFCERN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1c(C)nn(C)c1C ZINC000792965144 1279309947 /nfs/dbraw/zinc/30/99/47/1279309947.db2.gz NGBCDBDFMQCQSB-OAHLLOKOSA-N 0 0 346.431 2.702 10 10 EFCERN CCOc1cccnc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844853661 1279310989 /nfs/dbraw/zinc/31/09/89/1279310989.db2.gz ACJXGXZMWRAZAP-UHFFFAOYSA-N 0 0 343.427 2.697 10 10 EFCERN CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844887476 1279316953 /nfs/dbraw/zinc/31/69/53/1279316953.db2.gz GZOCORWJHDFZBG-MAUKXSAKSA-N 0 0 333.476 2.883 10 10 EFCERN CCOc1cccc(CCNC(=O)NCc2ccc(OC)cc2O)c1 ZINC000793008522 1279325162 /nfs/dbraw/zinc/32/51/62/1279325162.db2.gz HFRKOBBWHLWYEH-UHFFFAOYSA-N 0 0 344.411 2.841 10 10 EFCERN CC(C)Cn1ccnc1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845010792 1279385084 /nfs/dbraw/zinc/38/50/84/1279385084.db2.gz WSUZXHHTAYZQTA-UHFFFAOYSA-N 0 0 336.823 2.898 10 10 EFCERN CCOC(=O)N(C)CCCC(=O)NCCCSc1nccs1 ZINC001144321960 1279419819 /nfs/dbraw/zinc/41/98/19/1279419819.db2.gz DPWONVMIVWAZJL-UHFFFAOYSA-N 0 0 345.490 2.610 10 10 EFCERN COc1ccc(CNC(=O)NCCc2cc(C)c(O)c(C)c2)c(O)c1 ZINC000793184504 1279428722 /nfs/dbraw/zinc/42/87/22/1279428722.db2.gz FADBSKHDCPYTNL-UHFFFAOYSA-N 0 0 344.411 2.765 10 10 EFCERN O=C(/C=C/c1cncc(F)c1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001144338778 1279453212 /nfs/dbraw/zinc/45/32/12/1279453212.db2.gz SATODLVOXHPBIU-IHVVCDCBSA-N 0 0 330.334 2.571 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000845132243 1279457154 /nfs/dbraw/zinc/45/71/54/1279457154.db2.gz VNBQKQKKPSWPLL-QGZVFWFLSA-N 0 0 349.475 2.730 10 10 EFCERN CC[C@H]1C[C@@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000845265419 1279518791 /nfs/dbraw/zinc/51/87/91/1279518791.db2.gz KJROZECDJZROFZ-RDJZCZTQSA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCCCCO3)C2)cc1 ZINC000845267149 1279519141 /nfs/dbraw/zinc/51/91/41/1279519141.db2.gz BCIUKOXVRDENDO-HNNXBMFYSA-N 0 0 333.432 2.649 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1(CO)CCC1 ZINC000845261855 1279545009 /nfs/dbraw/zinc/54/50/09/1279545009.db2.gz QOVNSVRRJHKGNA-MRXNPFEDSA-N 0 0 347.503 2.844 10 10 EFCERN CC(C)OC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCC1 ZINC000871909595 1287355956 /nfs/dbraw/zinc/35/59/56/1287355956.db2.gz LHXWAWBJXWULBF-UHFFFAOYSA-N 0 0 332.400 2.504 10 10 EFCERN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793366147 1279576474 /nfs/dbraw/zinc/57/64/74/1279576474.db2.gz QTTVEYCITRVZGS-MRXNPFEDSA-N 0 0 329.799 2.955 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000845426093 1279618194 /nfs/dbraw/zinc/61/81/94/1279618194.db2.gz NMCVFYKTEXIWEI-KPZWWZAWSA-N 0 0 348.443 2.966 10 10 EFCERN COc1ccc(N(C)CCN(C)c2nc([C@@H](C)OC)ns2)cc1 ZINC000845671095 1279780595 /nfs/dbraw/zinc/78/05/95/1279780595.db2.gz ZDDXMDSHIQZJGK-GFCCVEGCSA-N 0 0 336.461 2.827 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000845710912 1279791140 /nfs/dbraw/zinc/79/11/40/1279791140.db2.gz ZUIWIRGYRKAGSA-RYWCDNDXSA-N 0 0 348.399 2.626 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000845832242 1279880517 /nfs/dbraw/zinc/88/05/17/1279880517.db2.gz BHAPGRILDWKIJG-OLZOCXBDSA-N 0 0 349.427 2.775 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cnc1C ZINC000845930314 1279940321 /nfs/dbraw/zinc/94/03/21/1279940321.db2.gz CPKVAYKBYFLHIR-UHFFFAOYSA-N 0 0 341.411 2.781 10 10 EFCERN COc1cc(Cl)cc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000846014917 1279977264 /nfs/dbraw/zinc/97/72/64/1279977264.db2.gz WLJLLIHCBWRMNC-UHFFFAOYSA-N 0 0 348.834 2.614 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2ccnn2C)cc1F ZINC000846116286 1280024751 /nfs/dbraw/zinc/02/47/51/1280024751.db2.gz RPSBJVBIMCPHAK-LJQANCHMSA-N 0 0 346.450 2.979 10 10 EFCERN COc1cccc([C@@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1O ZINC000846157895 1280040778 /nfs/dbraw/zinc/04/07/78/1280040778.db2.gz HFBLVYJOKLNSIU-CYBMUJFWSA-N 0 0 341.411 2.510 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2CNc3ccccc3C2)cc1F ZINC000846142180 1280050631 /nfs/dbraw/zinc/05/06/31/1280050631.db2.gz CZFDKDHBTITMPK-OAHLLOKOSA-N 0 0 342.418 2.728 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CNc2ccccc2C1 ZINC000846144057 1280051202 /nfs/dbraw/zinc/05/12/02/1280051202.db2.gz FXNHBKDJEQAVKZ-GOSISDBHSA-N 0 0 348.450 2.899 10 10 EFCERN C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000846188371 1280063985 /nfs/dbraw/zinc/06/39/85/1280063985.db2.gz FJMABXARWBCJCV-ACLDMZEESA-N 0 0 347.640 2.723 10 10 EFCERN Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237963 1280080601 /nfs/dbraw/zinc/08/06/01/1280080601.db2.gz JAQSRSBDAFNPKQ-GFCCVEGCSA-N 0 0 340.383 2.635 10 10 EFCERN CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252603 1280087579 /nfs/dbraw/zinc/08/75/79/1280087579.db2.gz ATKDJDHFDZGKBV-BXUZGUMPSA-N 0 0 332.404 2.534 10 10 EFCERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794378374 1280161806 /nfs/dbraw/zinc/16/18/06/1280161806.db2.gz FQVOKOUCVBOSGP-IRXDYDNUSA-N 0 0 327.380 2.829 10 10 EFCERN COc1ccc(CNC(=O)c2coc(Br)c2)c(O)c1 ZINC000794384307 1280164840 /nfs/dbraw/zinc/16/48/40/1280164840.db2.gz YYSCIJMMVXKWSC-UHFFFAOYSA-N 0 0 326.146 2.686 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H](O)CC(C)(C)C)cc1 ZINC000846441841 1280180088 /nfs/dbraw/zinc/18/00/88/1280180088.db2.gz DNHYFCDGMMERIW-INIZCTEOSA-N 0 0 336.476 2.777 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000846487870 1280202590 /nfs/dbraw/zinc/20/25/90/1280202590.db2.gz XWVSEBVHMGUIFL-PQPFEFOTSA-N 0 0 340.379 2.543 10 10 EFCERN CCCCOCCNC(=O)NCc1cc(Br)ccc1O ZINC000805012503 1280428566 /nfs/dbraw/zinc/42/85/66/1280428566.db2.gz KVJWWMACESGUKS-UHFFFAOYSA-N 0 0 345.237 2.771 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)OC[C@H]1CCCO1 ZINC000805100970 1280439705 /nfs/dbraw/zinc/43/97/05/1280439705.db2.gz NANZOARMXINLKY-LLVKDONJSA-N 0 0 330.178 2.560 10 10 EFCERN CSC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805134715 1280454426 /nfs/dbraw/zinc/45/44/26/1280454426.db2.gz HAXIBEXQTHTKHQ-MRVPVSSYSA-N 0 0 333.251 2.705 10 10 EFCERN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(=O)NC(C)C ZINC001144941218 1280497088 /nfs/dbraw/zinc/49/70/88/1280497088.db2.gz NOPAAEWQXHQCQS-UHFFFAOYSA-N 0 0 342.395 2.726 10 10 EFCERN COc1cnc(F)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000846842282 1280569777 /nfs/dbraw/zinc/56/97/77/1280569777.db2.gz GJHHSEQWVJXEDM-UHFFFAOYSA-N 0 0 329.375 2.542 10 10 EFCERN CC1(C)SC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805468627 1280576686 /nfs/dbraw/zinc/57/66/86/1280576686.db2.gz SHVPUJPECAHVJD-LLVKDONJSA-N 0 0 345.262 2.848 10 10 EFCERN CCOc1cc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)on1 ZINC001144978111 1280633820 /nfs/dbraw/zinc/63/38/20/1280633820.db2.gz OWFLFSDDGXUNOX-UHFFFAOYSA-N 0 0 335.379 2.989 10 10 EFCERN COc1cc(Br)cc([C@H](C)NCc2nonc2C)c1O ZINC000872135159 1287440840 /nfs/dbraw/zinc/44/08/40/1287440840.db2.gz FXSNZWNCVWSGNE-ZETCQYMHSA-N 0 0 342.193 2.706 10 10 EFCERN C[C@H]1CSC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805791929 1280773699 /nfs/dbraw/zinc/77/36/99/1280773699.db2.gz QABSFTZSMXSYBE-GZMMTYOYSA-N 0 0 345.262 2.705 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@H](C)c1nccn1C ZINC000806348123 1281044926 /nfs/dbraw/zinc/04/49/26/1281044926.db2.gz WIQXOPZFXDUMTJ-OAHLLOKOSA-N 0 0 344.459 2.612 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1 ZINC000806510190 1281075370 /nfs/dbraw/zinc/07/53/70/1281075370.db2.gz LNUHDHQLVLYMQK-KRWDZBQOSA-N 0 0 332.444 2.692 10 10 EFCERN COc1ccc(N2CCCN(C(=O)Cc3ccc(F)cn3)CC2)cc1 ZINC000806538711 1281080055 /nfs/dbraw/zinc/08/00/55/1281080055.db2.gz QYQBZHCIZVCGRT-UHFFFAOYSA-N 0 0 343.402 2.511 10 10 EFCERN CCN(CC)c1ccc(/C=C\c2cc(=O)n3[nH]cnc3n2)cc1F ZINC000806571244 1281098858 /nfs/dbraw/zinc/09/88/58/1281098858.db2.gz SCPCJYZEHPUNHY-ALCCZGGFSA-N 0 0 327.363 2.573 10 10 EFCERN C[C@](O)(C[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1)C1CC1 ZINC000872211132 1287478769 /nfs/dbraw/zinc/47/87/69/1287478769.db2.gz YANPQBGCZXMWOJ-HLIPFELVSA-N 0 0 349.471 2.958 10 10 EFCERN Cn1ncc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000807567981 1281353238 /nfs/dbraw/zinc/35/32/38/1281353238.db2.gz IDJPZGFTGCBZAH-UHFFFAOYSA-N 0 0 343.431 2.565 10 10 EFCERN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000807819501 1281426748 /nfs/dbraw/zinc/42/67/48/1281426748.db2.gz SCKOBLGMZMBGCS-ONGXEEELSA-N 0 0 326.418 2.581 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000808094092 1281535022 /nfs/dbraw/zinc/53/50/22/1281535022.db2.gz AMMWUXNDLNZXTN-UHFFFAOYSA-N 0 0 342.395 2.994 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccco2)[nH]n1 ZINC000808094265 1281535532 /nfs/dbraw/zinc/53/55/32/1281535532.db2.gz HXXWMEZTERBSQH-UHFFFAOYSA-N 0 0 332.356 2.791 10 10 EFCERN COC(OC)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000808151854 1281562481 /nfs/dbraw/zinc/56/24/81/1281562481.db2.gz RCEAQDALWXXNKB-LBPRGKRZSA-N 0 0 334.391 2.970 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000808499578 1281740864 /nfs/dbraw/zinc/74/08/64/1281740864.db2.gz DQDQKWQSJUFGAD-UHFFFAOYSA-N 0 0 335.743 2.629 10 10 EFCERN CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)C(C)=O)s2)cc1 ZINC000808502060 1281742480 /nfs/dbraw/zinc/74/24/80/1281742480.db2.gz VZZDQPLLFGCKIH-UHFFFAOYSA-N 0 0 347.392 2.832 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccnc1SCc1ccc(F)cc1 ZINC000808504501 1281743674 /nfs/dbraw/zinc/74/36/74/1281743674.db2.gz DZLCUDABKNWJES-UHFFFAOYSA-N 0 0 347.367 2.828 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000808515822 1281749574 /nfs/dbraw/zinc/74/95/74/1281749574.db2.gz PKRNXSRANYJYQI-UHFFFAOYSA-N 0 0 341.241 2.675 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000808531075 1281762765 /nfs/dbraw/zinc/76/27/65/1281762765.db2.gz KDUYOYPRYPSBKL-CYBMUJFWSA-N 0 0 338.359 2.722 10 10 EFCERN CC(=O)C(=O)COC(=O)c1coc2c1cc(Br)cc2C ZINC000808538383 1281767428 /nfs/dbraw/zinc/76/74/28/1281767428.db2.gz PIXMGKICMUVOOC-UHFFFAOYSA-N 0 0 339.141 2.819 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000808545637 1281773877 /nfs/dbraw/zinc/77/38/77/1281773877.db2.gz ITEKBGMLXIIMDQ-UHFFFAOYSA-N 0 0 349.383 2.668 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Cl)cc(F)c1Br ZINC000808549254 1281776028 /nfs/dbraw/zinc/77/60/28/1281776028.db2.gz SYLJZQXTCVJFQL-UHFFFAOYSA-N 0 0 337.528 2.557 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc2cccc(Br)c21 ZINC000808550183 1281777241 /nfs/dbraw/zinc/77/72/41/1281777241.db2.gz HBBYPSVRQFDBEK-UHFFFAOYSA-N 0 0 335.153 2.917 10 10 EFCERN COC(=O)CCCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000809727748 1282408301 /nfs/dbraw/zinc/40/83/01/1282408301.db2.gz VMIKONOZTXSZHO-UHFFFAOYSA-N 0 0 330.222 2.978 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000809743679 1282442641 /nfs/dbraw/zinc/44/26/41/1282442641.db2.gz ZPNLJRTTXPVVQO-SNVBAGLBSA-N 0 0 342.155 2.866 10 10 EFCERN CCc1ncnc(CC)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000815629684 1287647494 /nfs/dbraw/zinc/64/74/94/1287647494.db2.gz JUTUJSFQMJNFQD-UHFFFAOYSA-N 0 0 326.444 2.906 10 10 EFCERN COc1ccc(N(CC(C)C)C[C@H](O)COC[C@@H]2CCCO2)cc1 ZINC000747684252 1284068639 /nfs/dbraw/zinc/06/86/39/1284068639.db2.gz YIWAYAXEGHJKBJ-HKUYNNGSSA-N 0 0 337.460 2.714 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000715726963 1284318690 /nfs/dbraw/zinc/31/86/90/1284318690.db2.gz WPWTVIUYQSCASJ-LBPRGKRZSA-N 0 0 329.213 2.574 10 10 EFCERN O=C(C1CC1)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000811502454 1284382850 /nfs/dbraw/zinc/38/28/50/1284382850.db2.gz URGFAKQDWVBVKV-IBGZPJMESA-N 0 0 328.456 2.857 10 10 EFCERN COCC[C@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000812345781 1285091146 /nfs/dbraw/zinc/09/11/46/1285091146.db2.gz OBUVDOSDWBBFSL-QGZVFWFLSA-N 0 0 330.428 2.875 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000812497791 1285184209 /nfs/dbraw/zinc/18/42/09/1285184209.db2.gz COVPYPXVOIWAIE-MFKMUULPSA-N 0 0 346.349 2.605 10 10 EFCERN COc1ccc(N2CCN(CCNC(=O)CCCC3CC3)CC2)cc1 ZINC000812507765 1285191905 /nfs/dbraw/zinc/19/19/05/1285191905.db2.gz HYWXXRDHLGHIBJ-UHFFFAOYSA-N 0 0 345.487 2.514 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812735829 1285387663 /nfs/dbraw/zinc/38/76/63/1285387663.db2.gz BDGUXRGSBVDUJE-LBPRGKRZSA-N 0 0 343.427 2.642 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)C2(C)C)cc1F ZINC000812885406 1285486497 /nfs/dbraw/zinc/48/64/97/1285486497.db2.gz PTPVTTYCEXKGJO-MRXNPFEDSA-N 0 0 337.439 2.727 10 10 EFCERN C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccccc1O ZINC001171716857 1285738311 /nfs/dbraw/zinc/73/83/11/1285738311.db2.gz AZXJUCZVBCIQFU-SNVBAGLBSA-N 0 0 328.397 2.740 10 10 EFCERN C[C@@H](NC(=O)c1cn(CCc2ccccc2)nn1)c1ccccc1O ZINC001171722772 1285741112 /nfs/dbraw/zinc/74/11/12/1285741112.db2.gz DJZFQKSQVPAZPA-CQSZACIVSA-N 0 0 336.395 2.717 10 10 EFCERN COC(=O)c1cc(CN(C)c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC001171746238 1285760079 /nfs/dbraw/zinc/76/00/79/1285760079.db2.gz UNKJXOBALOALFP-UHFFFAOYSA-N 0 0 343.379 2.905 10 10 EFCERN CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553979 1289029801 /nfs/dbraw/zinc/02/98/01/1289029801.db2.gz QIYZNIJGPJATNN-DNVCBOLYSA-N 0 0 346.496 2.671 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](O)Cc1ccccc1 ZINC000813454978 1285918590 /nfs/dbraw/zinc/91/85/90/1285918590.db2.gz FTLFNWULOPEJIP-IBGZPJMESA-N 0 0 326.440 2.671 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000813479794 1285942656 /nfs/dbraw/zinc/94/26/56/1285942656.db2.gz CXSZBAHOTVUDHN-UHFFFAOYSA-N 0 0 336.294 2.780 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](O)Cc2ccccc2)c1 ZINC000813489172 1285946095 /nfs/dbraw/zinc/94/60/95/1285946095.db2.gz RAURHVRKZBZQAF-ZFWWWQNUSA-N 0 0 329.396 2.572 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000822603382 1289041409 /nfs/dbraw/zinc/04/14/09/1289041409.db2.gz TWPDONDVKKMPTI-HNNXBMFYSA-N 0 0 326.444 2.677 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2cccc2)ccn1 ZINC000813513422 1285955121 /nfs/dbraw/zinc/95/51/21/1285955121.db2.gz MYYFIOLSDJTGCA-CYBMUJFWSA-N 0 0 337.379 2.645 10 10 EFCERN CC(C)(C)C[C@@H](O)CC(=O)NCc1cccc(Br)c1O ZINC000813539053 1285988005 /nfs/dbraw/zinc/98/80/05/1285988005.db2.gz DVOFRSDXIDCJGU-NSHDSACASA-N 0 0 344.249 2.958 10 10 EFCERN CC(C)(C)C[C@H](O)CC(=O)NCc1cccc(Br)c1O ZINC000813539052 1285988290 /nfs/dbraw/zinc/98/82/90/1285988290.db2.gz DVOFRSDXIDCJGU-LLVKDONJSA-N 0 0 344.249 2.958 10 10 EFCERN CC(C)(C)C[C@@H](O)CC(=O)NCc1cc(Br)ccc1O ZINC000813609030 1286021801 /nfs/dbraw/zinc/02/18/01/1286021801.db2.gz ICPFBXMIMIGRSA-LBPRGKRZSA-N 0 0 344.249 2.958 10 10 EFCERN CCN1CCC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1=O ZINC001133928349 1286134263 /nfs/dbraw/zinc/13/42/63/1286134263.db2.gz UWIXZJZOTKKEDB-GOSISDBHSA-N 0 0 339.439 2.835 10 10 EFCERN CCN1CCC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1=O ZINC001133928350 1286134395 /nfs/dbraw/zinc/13/43/95/1286134395.db2.gz UWIXZJZOTKKEDB-SFHVURJKSA-N 0 0 339.439 2.835 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000822598119 1289059145 /nfs/dbraw/zinc/05/91/45/1289059145.db2.gz GFAVYHAOXBVBSR-DOTOQJQBSA-N 0 0 342.443 2.679 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C(C)C)nn1 ZINC000814107322 1286322364 /nfs/dbraw/zinc/32/23/64/1286322364.db2.gz CXBRBABBMPEHLN-UHFFFAOYSA-N 0 0 329.448 2.976 10 10 EFCERN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC=C(N)N2)cc1 ZINC001134150229 1286379599 /nfs/dbraw/zinc/37/95/99/1286379599.db2.gz UAYVGNJHSLYXAC-UHFFFAOYSA-N 0 0 336.399 2.929 10 10 EFCERN COc1cccc2c1[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)CC2 ZINC000814533609 1286725050 /nfs/dbraw/zinc/72/50/50/1286725050.db2.gz BTVLWQPSUQTRNJ-ZDUSSCGKSA-N 0 0 342.347 2.562 10 10 EFCERN Cc1ncccc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822720916 1289102307 /nfs/dbraw/zinc/10/23/07/1289102307.db2.gz NLRWZZOVZWJGMJ-RMKNXTFCSA-N 0 0 337.423 2.556 10 10 EFCERN C[C@@H](CC(N)=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001179347351 1289106920 /nfs/dbraw/zinc/10/69/20/1289106920.db2.gz REJZDLKESKZCJL-KBNZMGLGSA-N 0 0 340.379 2.729 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000814722410 1286966227 /nfs/dbraw/zinc/96/62/27/1286966227.db2.gz XYLZTJRROVYKAT-ROUUACIJSA-N 0 0 332.444 2.549 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000814825109 1287061544 /nfs/dbraw/zinc/06/15/44/1287061544.db2.gz YKJBIJIAQGMURS-XEMDLRDOSA-N 0 0 328.456 2.918 10 10 EFCERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000871479242 1287103091 /nfs/dbraw/zinc/10/30/91/1287103091.db2.gz ZXXUTVQJYCVFEL-YHAOYDPOSA-N 0 0 333.384 2.515 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)CC2)cc1F ZINC000815773420 1287826073 /nfs/dbraw/zinc/82/60/73/1287826073.db2.gz NHTVOJPMTBHNNW-HBCWATKFSA-N 0 0 332.419 2.919 10 10 EFCERN CCc1ncnc(CC)c1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000815835171 1287850469 /nfs/dbraw/zinc/85/04/69/1287850469.db2.gz LREHOXDHBWQSNG-LLVKDONJSA-N 0 0 329.400 2.807 10 10 EFCERN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000822898810 1289147404 /nfs/dbraw/zinc/14/74/04/1289147404.db2.gz SYRZICAHIVTYBA-AEFFLSMTSA-N 0 0 334.460 2.541 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(=O)[nH]c1 ZINC000822897688 1289147624 /nfs/dbraw/zinc/14/76/24/1289147624.db2.gz ABORSFCAPXBYNJ-UHFFFAOYSA-N 0 0 327.428 2.833 10 10 EFCERN COc1ccc2c(CC(=O)NCc3cccc(O)c3O)coc2c1 ZINC001176565623 1288041368 /nfs/dbraw/zinc/04/13/68/1288041368.db2.gz MINVUUGSWAFTEJ-UHFFFAOYSA-N 0 0 327.336 2.712 10 10 EFCERN Cc1cc(C(=O)N(C)CCn2cnnc2)c(C)n1-c1ccc(F)cc1 ZINC001176830213 1288139948 /nfs/dbraw/zinc/13/99/48/1288139948.db2.gz HENAEVOJYHAMDM-UHFFFAOYSA-N 0 0 341.390 2.597 10 10 EFCERN COc1ccc(O)c(CN[C@@H](C)c2ncc(Br)cn2)c1 ZINC000816627023 1288215802 /nfs/dbraw/zinc/21/58/02/1288215802.db2.gz CKQIIEKURVKYHL-VIFPVBQESA-N 0 0 338.205 2.804 10 10 EFCERN Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816601098 1288221371 /nfs/dbraw/zinc/22/13/71/1288221371.db2.gz QUGGCTRMLVJYDJ-SNVBAGLBSA-N 0 0 336.798 2.937 10 10 EFCERN Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816601097 1288221466 /nfs/dbraw/zinc/22/14/66/1288221466.db2.gz QUGGCTRMLVJYDJ-JTQLQIEISA-N 0 0 336.798 2.937 10 10 EFCERN O=C1CN(Cc2ccc3ccccc3c2O)CCN1CC(F)(F)F ZINC000816608781 1288223913 /nfs/dbraw/zinc/22/39/13/1288223913.db2.gz JMTQSSIICCCSFF-UHFFFAOYSA-N 0 0 338.329 2.752 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ncoc1C1CC1 ZINC000816654178 1288230054 /nfs/dbraw/zinc/23/00/54/1288230054.db2.gz WRFMZWNJTCQWLR-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000816653661 1288230821 /nfs/dbraw/zinc/23/08/21/1288230821.db2.gz CLFKGQWEXMAWRW-GXTWGEPZSA-N 0 0 342.233 2.976 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]1n1cccn1 ZINC000816671878 1288239474 /nfs/dbraw/zinc/23/94/74/1288239474.db2.gz JVBBDXZMGHQGEB-RBSFLKMASA-N 0 0 339.798 2.890 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cccc3ncnn32)cc1 ZINC001135732908 1288312488 /nfs/dbraw/zinc/31/24/88/1288312488.db2.gz KYQFJASYMWHACM-UHFFFAOYSA-N 0 0 337.427 2.848 10 10 EFCERN C[C@H](OCCCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001135738892 1288320060 /nfs/dbraw/zinc/32/00/60/1288320060.db2.gz QGWQEGMYVTWNJY-AWEZNQCLSA-N 0 0 329.396 2.924 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cccc4oc(=O)[nH]c43)ccc21 ZINC000816910655 1288325913 /nfs/dbraw/zinc/32/59/13/1288325913.db2.gz OINWSOCPSLLPCV-UHFFFAOYSA-N 0 0 337.379 2.846 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCc3ccc4c(c3)CCCN4C)[nH]n2)c1 ZINC000816910720 1288326707 /nfs/dbraw/zinc/32/67/07/1288326707.db2.gz POUYTUKZLDJILW-UHFFFAOYSA-N 0 0 349.438 2.728 10 10 EFCERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1ccccc1C ZINC000816919507 1288334300 /nfs/dbraw/zinc/33/43/00/1288334300.db2.gz NJXXAVIMFYLSGP-UHFFFAOYSA-N 0 0 328.412 2.548 10 10 EFCERN C[C@@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc(N(C)C)cc1 ZINC000817166298 1288447335 /nfs/dbraw/zinc/44/73/35/1288447335.db2.gz XCACEACKZLFMMK-RHSMWYFYSA-N 0 0 331.460 2.903 10 10 EFCERN CC[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000817174251 1288448964 /nfs/dbraw/zinc/44/89/64/1288448964.db2.gz CFZBRCWYKOIMLC-SJORKVTESA-N 0 0 331.460 2.826 10 10 EFCERN COc1cc(N(C)Cc2nn(C)cc2Cl)cc(OC)c1OC ZINC000817274493 1288520251 /nfs/dbraw/zinc/52/02/51/1288520251.db2.gz MDRXPWUEMYFDDE-UHFFFAOYSA-N 0 0 325.796 2.736 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001177745783 1288531589 /nfs/dbraw/zinc/53/15/89/1288531589.db2.gz XULXHAYBBAENSZ-AWIAWAOOSA-N 0 0 329.327 2.699 10 10 EFCERN Cc1c(Cl)c(CN(C)Cc2ccc(N3CCOCC3)cc2)nn1C ZINC000817405775 1288585818 /nfs/dbraw/zinc/58/58/18/1288585818.db2.gz OREZXVDPKFAOQY-UHFFFAOYSA-N 0 0 348.878 2.851 10 10 EFCERN CCC(C)(C)OCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852379429 1299682353 /nfs/dbraw/zinc/68/23/53/1299682353.db2.gz PRSIKABFDAHXLW-OAHLLOKOSA-N 0 0 349.475 2.778 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000852379902 1299682684 /nfs/dbraw/zinc/68/26/84/1299682684.db2.gz CZBADYRHAKTWRU-IDCJVQTKSA-N 0 0 329.444 2.762 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CC4)cc2F)C[C@@H](C)O1 ZINC000817428748 1288604809 /nfs/dbraw/zinc/60/48/09/1288604809.db2.gz VKURBRNELPVODT-NFAWXSAZSA-N 0 0 332.419 2.856 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817515460 1288649542 /nfs/dbraw/zinc/64/95/42/1288649542.db2.gz JXWADJWIFCMZEL-KSZLIROESA-N 0 0 328.456 2.918 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000821978559 1288852251 /nfs/dbraw/zinc/85/22/51/1288852251.db2.gz MWHZYAFOBDQKBK-CYBMUJFWSA-N 0 0 330.363 2.630 10 10 EFCERN CCn1cnnc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000822163995 1288897140 /nfs/dbraw/zinc/89/71/40/1288897140.db2.gz UCZZMLDYNTZMLK-UHFFFAOYSA-N 0 0 337.427 2.564 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)cc1 ZINC000822269147 1288922560 /nfs/dbraw/zinc/92/25/60/1288922560.db2.gz LTGXMJDEKMZMTE-HKUYNNGSSA-N 0 0 348.487 2.933 10 10 EFCERN Cc1cc(CC(=O)N[C@@H](C)c2nncn2C)c(C)n1-c1ccccc1 ZINC000822257993 1288933837 /nfs/dbraw/zinc/93/38/37/1288933837.db2.gz PYVRCIDZFIIVGT-AWEZNQCLSA-N 0 0 337.427 2.643 10 10 EFCERN CC(=O)N1CCN(c2ccc(CNC(=O)CC(C)=C(C)C)cc2)CC1 ZINC000822320431 1288938916 /nfs/dbraw/zinc/93/89/16/1288938916.db2.gz ITKYQWXATBFNKS-UHFFFAOYSA-N 0 0 343.471 2.718 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](c2ncccn2)C1 ZINC001178850185 1288941816 /nfs/dbraw/zinc/94/18/16/1288941816.db2.gz JVNHBVNVEURDKV-SNVBAGLBSA-N 0 0 341.392 2.732 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1 ZINC001178814140 1288945198 /nfs/dbraw/zinc/94/51/98/1288945198.db2.gz INNHRAYXPUCFED-UHFFFAOYSA-N 0 0 346.293 2.740 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001178905288 1288976089 /nfs/dbraw/zinc/97/60/89/1288976089.db2.gz KREBHLDTVKXIMH-LLVKDONJSA-N 0 0 333.771 2.619 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn(C)nc2Cl)cc1F ZINC000823213381 1289244978 /nfs/dbraw/zinc/24/49/78/1289244978.db2.gz IOZWQNIKWXDMAL-UHFFFAOYSA-N 0 0 338.814 2.989 10 10 EFCERN CCOC(=O)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823265895 1289254532 /nfs/dbraw/zinc/25/45/32/1289254532.db2.gz YIEDRVYVUSDYSE-AWEZNQCLSA-N 0 0 328.412 2.704 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000823292954 1289272815 /nfs/dbraw/zinc/27/28/15/1289272815.db2.gz VIGOHLQQSZQIGL-IBGZPJMESA-N 0 0 346.471 2.735 10 10 EFCERN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548815 1289371494 /nfs/dbraw/zinc/37/14/94/1289371494.db2.gz XKWKKQBITUGGSW-QGZVFWFLSA-N 0 0 345.487 2.835 10 10 EFCERN CCOC(=O)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000824241118 1289585688 /nfs/dbraw/zinc/58/56/88/1289585688.db2.gz UOLBAIYHJZASBV-UHFFFAOYSA-N 0 0 328.412 2.658 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000824289304 1289596179 /nfs/dbraw/zinc/59/61/79/1289596179.db2.gz SJMQWNGOUATQAL-MIFYACCESA-N 0 0 329.444 2.762 10 10 EFCERN CN(Cc1cccs1)c1ccc(CN2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000824344763 1289617276 /nfs/dbraw/zinc/61/72/76/1289617276.db2.gz SXENXKKZOJKJFY-HDICACEKSA-N 0 0 344.480 2.984 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000824501084 1289690030 /nfs/dbraw/zinc/69/00/30/1289690030.db2.gz CWZZVQSBLZFGIG-KBPBESRZSA-N 0 0 331.243 2.604 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636061 1289732848 /nfs/dbraw/zinc/73/28/48/1289732848.db2.gz LPESJDWLUZFDOM-IEBWSBKVSA-N 0 0 331.387 2.701 10 10 EFCERN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H](O)C(F)F ZINC000824637519 1289733170 /nfs/dbraw/zinc/73/31/70/1289733170.db2.gz XOEGMXRIHFXPBZ-ZYHUDNBSSA-N 0 0 338.192 2.957 10 10 EFCERN COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636058 1289733184 /nfs/dbraw/zinc/73/31/84/1289733184.db2.gz LPESJDWLUZFDOM-HKUYNNGSSA-N 0 0 331.387 2.701 10 10 EFCERN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637214 1289734531 /nfs/dbraw/zinc/73/45/31/1289734531.db2.gz WSJPWRWUZAZYSJ-VQIMIIECSA-N 0 0 331.387 2.701 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccnn2C)cc1F ZINC000817531334 1289947401 /nfs/dbraw/zinc/94/74/01/1289947401.db2.gz MFQDSRMHDIGYFY-ZDUSSCGKSA-N 0 0 332.423 2.825 10 10 EFCERN C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)CC(F)F ZINC000825752744 1290417649 /nfs/dbraw/zinc/41/76/49/1290417649.db2.gz ACVPFBKXIWROBD-ZDUSSCGKSA-N 0 0 341.402 2.614 10 10 EFCERN COc1ccc(O)c([C@@H](C)Nc2nc(Cl)nc3[nH]c(=O)[nH]c32)c1 ZINC001185291079 1290640090 /nfs/dbraw/zinc/64/00/90/1290640090.db2.gz SFTBCXQYIADUJJ-ZCFIWIBFSA-N 0 0 335.751 2.599 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775029546 1290971562 /nfs/dbraw/zinc/97/15/62/1290971562.db2.gz PBOVARBNVIYKEV-MRXNPFEDSA-N 0 0 348.403 2.920 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775029544 1290972457 /nfs/dbraw/zinc/97/24/57/1290972457.db2.gz PBOVARBNVIYKEV-INIZCTEOSA-N 0 0 348.403 2.920 10 10 EFCERN O=c1[nH]c2nc(Cl)nc(NCc3cccc(Cl)c3O)c2[nH]1 ZINC001187862245 1291251688 /nfs/dbraw/zinc/25/16/88/1291251688.db2.gz RABQEVJBFLFESJ-UHFFFAOYSA-N 0 0 326.143 2.683 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001166830750 1312849323 /nfs/dbraw/zinc/84/93/23/1312849323.db2.gz ADWGPSIPLOZLSF-FXAWDEMLSA-N 0 0 338.407 2.504 10 10 EFCERN COC(=O)[C@H](CC(C)C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000795932043 1291695146 /nfs/dbraw/zinc/69/51/46/1291695146.db2.gz MGTXNDJJRFCPOV-INIZCTEOSA-N 0 0 338.423 2.544 10 10 EFCERN COC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795973942 1291816480 /nfs/dbraw/zinc/81/64/80/1291816480.db2.gz DGNAVZGQQXPMNG-QAPCUYQASA-N 0 0 334.460 2.762 10 10 EFCERN COC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795973943 1291816633 /nfs/dbraw/zinc/81/66/33/1291816633.db2.gz DGNAVZGQQXPMNG-YJBOKZPZSA-N 0 0 334.460 2.762 10 10 EFCERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1Cl ZINC000826099930 1292007224 /nfs/dbraw/zinc/00/72/24/1292007224.db2.gz JZSWJCYOSNWCHA-ZFWWWQNUSA-N 0 0 329.849 2.506 10 10 EFCERN CCCCC[C@@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000832446526 1292328492 /nfs/dbraw/zinc/32/84/92/1292328492.db2.gz XHBDQMPEKNFNPJ-CYBMUJFWSA-N 0 0 330.222 2.712 10 10 EFCERN CC(C)(C)CS(=O)(=O)NCc1cc(Br)ccc1O ZINC000796190205 1292383863 /nfs/dbraw/zinc/38/38/63/1292383863.db2.gz CAAWZIHFOITXLK-UHFFFAOYSA-N 0 0 336.251 2.620 10 10 EFCERN CC(C)CCS(=O)(=O)NCc1cc(Br)ccc1O ZINC000796191188 1292385745 /nfs/dbraw/zinc/38/57/45/1292385745.db2.gz PVDMXSKQMQDVDU-UHFFFAOYSA-N 0 0 336.251 2.620 10 10 EFCERN Cc1nc(N(C)C)nc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000775482715 1292666598 /nfs/dbraw/zinc/66/65/98/1292666598.db2.gz XOQYMDOHUACLOI-UHFFFAOYSA-N 0 0 339.399 2.751 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1nc2ccccc2o1 ZINC000096011690 1292672723 /nfs/dbraw/zinc/67/27/23/1292672723.db2.gz QPOUTZDBEVYLLZ-IDVQTMNDSA-N 0 0 338.363 3.000 10 10 EFCERN Cc1c(CNC(=O)N2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC001234103861 1313058551 /nfs/dbraw/zinc/05/85/51/1313058551.db2.gz SQYFFXDUULMWEU-UHFFFAOYSA-N 0 0 327.340 2.834 10 10 EFCERN Cc1cc(Cl)cc(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000775711868 1294211367 /nfs/dbraw/zinc/21/13/67/1294211367.db2.gz IXPJCWBOUOLUEH-AWEZNQCLSA-N 0 0 341.835 2.897 10 10 EFCERN COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Cl)cc(C)c1O ZINC000775741715 1294365243 /nfs/dbraw/zinc/36/52/43/1294365243.db2.gz PUSASRJWGQJHOE-AWEZNQCLSA-N 0 0 329.824 2.752 10 10 EFCERN CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001197169180 1294472432 /nfs/dbraw/zinc/47/24/32/1294472432.db2.gz WYFCIOZUYCTWNL-MRXNPFEDSA-N 0 0 343.393 2.786 10 10 EFCERN COCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)co1 ZINC000775779615 1294658395 /nfs/dbraw/zinc/65/83/95/1294658395.db2.gz GXGYRHZMWAWVGO-UHFFFAOYSA-N 0 0 329.400 2.692 10 10 EFCERN CC(C)C1(S(=O)(=O)NCc2cc(Br)ccc2O)CC1 ZINC000867266434 1295050876 /nfs/dbraw/zinc/05/08/76/1295050876.db2.gz RACYBNXWPTWNBD-UHFFFAOYSA-N 0 0 348.262 2.763 10 10 EFCERN CC[C@@H](O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826603609 1295685335 /nfs/dbraw/zinc/68/53/35/1295685335.db2.gz JICZWRJMHAPGNB-GXTWGEPZSA-N 0 0 342.386 2.534 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000776127379 1296511330 /nfs/dbraw/zinc/51/13/30/1296511330.db2.gz OYZRDIDHQRHNHO-ZDUSSCGKSA-N 0 0 328.416 2.717 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776166821 1296795300 /nfs/dbraw/zinc/79/53/00/1296795300.db2.gz DJNKOOWNLOQOLT-UONOGXRCSA-N 0 0 335.448 2.845 10 10 EFCERN CCc1noc([C@@H]2CC[C@H](NC(=O)N(C)Cc3ccccc3O)C2)n1 ZINC000927345620 1297009252 /nfs/dbraw/zinc/00/92/52/1297009252.db2.gz JWKQQLIDXAIDAB-OCCSQVGLSA-N 0 0 344.415 2.815 10 10 EFCERN COc1cc(C(=O)NCc2c(O)cccc2F)cc2c1O[C@H](C)C2 ZINC000928708196 1297125539 /nfs/dbraw/zinc/12/55/39/1297125539.db2.gz DPMMMWURGPZCRP-SNVBAGLBSA-N 0 0 331.343 2.793 10 10 EFCERN Cc1c(C(=O)NCc2c(O)cccc2F)nnn1CC1CCCC1 ZINC000928708553 1297126772 /nfs/dbraw/zinc/12/67/72/1297126772.db2.gz OTTIEZVJNHGHRG-UHFFFAOYSA-N 0 0 332.379 2.551 10 10 EFCERN CS(=O)(=O)c1cccc(NNC(=S)Nc2ccc(F)cc2)c1 ZINC000776265398 1297328460 /nfs/dbraw/zinc/32/84/60/1297328460.db2.gz ARELGTIAIXKSFZ-UHFFFAOYSA-N 0 0 339.417 2.543 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2N)c1O ZINC001545683807 1297854731 /nfs/dbraw/zinc/85/47/31/1297854731.db2.gz AKGIOIQAFNLWAT-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN CCOC(=O)CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779533756 1298328700 /nfs/dbraw/zinc/32/87/00/1298328700.db2.gz IUCSSHADOUPMAZ-DAXSKMNVSA-N 0 0 347.411 2.693 10 10 EFCERN NC(=O)CCCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000779813320 1298508300 /nfs/dbraw/zinc/50/83/00/1298508300.db2.gz SSJIIHAMXHDWDQ-UHFFFAOYSA-N 0 0 330.384 2.560 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903973790 1313521085 /nfs/dbraw/zinc/52/10/85/1313521085.db2.gz HZKVFABJIVAJRV-ZDUSSCGKSA-N 0 0 345.270 2.947 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCN3C(=O)N=NC3C2)cc1 ZINC000776519891 1299343748 /nfs/dbraw/zinc/34/37/48/1299343748.db2.gz DGNBYIUPMKXLPX-UHFFFAOYSA-N 0 0 329.448 2.626 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccsc3)C2)cc1 ZINC000851951620 1299482625 /nfs/dbraw/zinc/48/26/25/1299482625.db2.gz FAMYAKMEWQHGRM-HNNXBMFYSA-N 0 0 345.468 2.877 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000851987343 1299493271 /nfs/dbraw/zinc/49/32/71/1299493271.db2.gz MHCDJJTYWDNYOV-APWZRJJASA-N 0 0 331.460 2.711 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(C)(C)C)C2)cc1 ZINC000852164401 1299574409 /nfs/dbraw/zinc/57/44/09/1299574409.db2.gz YTTSZXGBXROEKK-WMLDXEAASA-N 0 0 349.475 2.634 10 10 EFCERN CCOC(=O)CN(Cc1cc(C2CC2)no1)Cc1ccccc1O ZINC000852192075 1299588310 /nfs/dbraw/zinc/58/83/10/1299588310.db2.gz NMAVETROBBHWAV-UHFFFAOYSA-N 0 0 330.384 2.823 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc[nH]3)C2)cc1 ZINC000852232096 1299608690 /nfs/dbraw/zinc/60/86/90/1299608690.db2.gz MVWKSGVDMZYVEY-KGLIPLIRSA-N 0 0 328.416 2.662 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(F)(F)F)C2)cc1 ZINC000852255381 1299619829 /nfs/dbraw/zinc/61/98/29/1299619829.db2.gz XGWSMRQTYQPZLO-NEPJUHHUSA-N 0 0 345.365 2.914 10 10 EFCERN COC(=O)C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852260901 1299621474 /nfs/dbraw/zinc/62/14/74/1299621474.db2.gz GHHSWFQDCHGHTI-BBRMVZONSA-N 0 0 347.459 2.702 10 10 EFCERN CCOC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852273944 1299626653 /nfs/dbraw/zinc/62/66/53/1299626653.db2.gz AJALUHIYTXRTSJ-MAUKXSAKSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCSC3)C2)cc1 ZINC000852339830 1299667991 /nfs/dbraw/zinc/66/79/91/1299667991.db2.gz WZSHEDQDLJYENG-GJZGRUSLSA-N 0 0 349.500 2.716 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3CC4(CCC4)C3)C2)cc1 ZINC000852401509 1299690665 /nfs/dbraw/zinc/69/06/65/1299690665.db2.gz QTEMQSCFOLYSML-AWEZNQCLSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NCCC2CC(OC)C2)cc1 ZINC000852413795 1299695369 /nfs/dbraw/zinc/69/53/69/1299695369.db2.gz AXUWGWQCZLAMMN-UHFFFAOYSA-N 0 0 349.475 2.588 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCSC(C)(C)C3)C2)cc1 ZINC000852455353 1299710883 /nfs/dbraw/zinc/71/08/83/1299710883.db2.gz USLVXAHEQOJDLB-CQSZACIVSA-N 0 0 349.500 2.811 10 10 EFCERN CC[C@H](COCC1CC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852466784 1299715115 /nfs/dbraw/zinc/71/51/15/1299715115.db2.gz VWCIFUOBUCECNL-GXTWGEPZSA-N 0 0 336.432 2.966 10 10 EFCERN CC[C@@H](COCC1CC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852466786 1299715135 /nfs/dbraw/zinc/71/51/35/1299715135.db2.gz VWCIFUOBUCECNL-OCCSQVGLSA-N 0 0 336.432 2.966 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnccc2C)c1 ZINC000852493425 1299725506 /nfs/dbraw/zinc/72/55/06/1299725506.db2.gz MKDIDLQRHRBUIT-CYBMUJFWSA-N 0 0 329.400 2.707 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852520328 1299737673 /nfs/dbraw/zinc/73/76/73/1299737673.db2.gz CNQZPNYRYQTMBL-HAQNSBGRSA-N 0 0 343.221 2.521 10 10 EFCERN C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000852582017 1299768799 /nfs/dbraw/zinc/76/87/99/1299768799.db2.gz YFYUCMBWDOLVGN-YOEHRIQHSA-N 0 0 331.460 2.826 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC[C@H](C)O2)cc1 ZINC000852582641 1299770362 /nfs/dbraw/zinc/77/03/62/1299770362.db2.gz XVTOCXLCJJVGIV-YJBOKZPZSA-N 0 0 349.475 2.730 10 10 EFCERN O=C(NCCN1CCc2ccccc21)NCc1cc(Cl)ccc1O ZINC001687550905 1313645677 /nfs/dbraw/zinc/64/56/77/1313645677.db2.gz DQXLCKUFTJVADP-UHFFFAOYSA-N 0 0 345.830 2.908 10 10 EFCERN CC(C)(C)OC(=O)C1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000852692362 1299817569 /nfs/dbraw/zinc/81/75/69/1299817569.db2.gz RZXYPWJJWKOJLC-UHFFFAOYSA-N 0 0 334.416 2.703 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC(C)(C)C1 ZINC000852699451 1299822099 /nfs/dbraw/zinc/82/20/99/1299822099.db2.gz NDHBSGKIPGCAFL-UHFFFAOYSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1cc(C(=O)N2CCCc3n[nH]cc3C2)c(C)n1-c1ccccn1 ZINC000852980254 1299956072 /nfs/dbraw/zinc/95/60/72/1299956072.db2.gz OFOBBWCJYZYDLY-UHFFFAOYSA-N 0 0 335.411 2.801 10 10 EFCERN Cc1cc(CC(=O)O[C@@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000853129791 1300018820 /nfs/dbraw/zinc/01/88/20/1300018820.db2.gz PMOLTUOGOZVSEM-HNNXBMFYSA-N 0 0 328.412 2.657 10 10 EFCERN Cc1cccc([C@H]2C(=O)NCCN2Cc2cc3c(cc2O)CCC3)c1 ZINC000853600617 1300186433 /nfs/dbraw/zinc/18/64/33/1300186433.db2.gz FJNQRPPUSPWGCP-FQEVSTJZSA-N 0 0 336.435 2.862 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853614587 1300193899 /nfs/dbraw/zinc/19/38/99/1300193899.db2.gz USUKZWUDAWYTSU-PWSUYJOCSA-N 0 0 349.349 2.951 10 10 EFCERN COc1ccc(N2CC[C@H](CNc3cc(CO)c(F)cn3)C2)cc1 ZINC000853699777 1300235827 /nfs/dbraw/zinc/23/58/27/1300235827.db2.gz NILSTKMDZNYCJO-CYBMUJFWSA-N 0 0 331.391 2.660 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc(OC)ncc3Cl)C2)cc1 ZINC000853758614 1300260622 /nfs/dbraw/zinc/26/06/22/1300260622.db2.gz IJHLFVOVCUJROW-NSHDSACASA-N 0 0 334.807 2.838 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncc(C(N)=O)cc3Cl)C2)cc1 ZINC000853759466 1300262031 /nfs/dbraw/zinc/26/20/31/1300262031.db2.gz UZMYPHWBSWCVLJ-LBPRGKRZSA-N 0 0 346.818 2.533 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC000853758690 1300262536 /nfs/dbraw/zinc/26/25/36/1300262536.db2.gz JIGGLUBFQQGXGK-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ncc(C)s3)C2)cc1 ZINC000853818667 1300292577 /nfs/dbraw/zinc/29/25/77/1300292577.db2.gz YWAHTEVGPKLWQB-LBPRGKRZSA-N 0 0 332.429 2.861 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000853818099 1300293272 /nfs/dbraw/zinc/29/32/72/1300293272.db2.gz STINKYKMWQDGJY-CQSZACIVSA-N 0 0 343.431 2.873 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ncc(C)s3)C2)cc1 ZINC000853818666 1300293381 /nfs/dbraw/zinc/29/33/81/1300293381.db2.gz YWAHTEVGPKLWQB-GFCCVEGCSA-N 0 0 332.429 2.861 10 10 EFCERN CC1(C)OCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000853857562 1300312735 /nfs/dbraw/zinc/31/27/35/1300312735.db2.gz GGLUYXQVUQFBMW-LLVKDONJSA-N 0 0 329.491 2.740 10 10 EFCERN Cc1cc(CC(=O)OC[C@H](O)COC(C)C)c(C)n1-c1ccccc1 ZINC000853934212 1300350032 /nfs/dbraw/zinc/35/00/32/1300350032.db2.gz OWTXRVMIJLRJMG-LJQANCHMSA-N 0 0 345.439 2.966 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000853980228 1300373027 /nfs/dbraw/zinc/37/30/27/1300373027.db2.gz QJVZAPMSZBDOPT-FNORWQNLSA-N 0 0 348.384 2.577 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853999875 1300383099 /nfs/dbraw/zinc/38/30/99/1300383099.db2.gz QTPZPLIRAKDNLF-RFAUZJTJSA-N 0 0 346.330 2.861 10 10 EFCERN C[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000854002987 1300385322 /nfs/dbraw/zinc/38/53/22/1300385322.db2.gz DWNLIJBDJVGJTI-CYBMUJFWSA-N 0 0 331.460 2.664 10 10 EFCERN CCc1nnc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000854186803 1300466268 /nfs/dbraw/zinc/46/62/68/1300466268.db2.gz XMJMSJCWUBTIDM-NSHDSACASA-N 0 0 347.444 2.510 10 10 EFCERN C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)cc(F)c1[O-] ZINC000854228483 1300479495 /nfs/dbraw/zinc/47/94/95/1300479495.db2.gz WXEIHHTZDDASHF-JUXJKVCFSA-N 0 0 329.213 2.696 10 10 EFCERN O=C([O-])[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C1CCC1 ZINC000854247967 1300486577 /nfs/dbraw/zinc/48/65/77/1300486577.db2.gz LLEQBXGWSDMFCA-LBPRGKRZSA-N 0 0 328.206 2.745 10 10 EFCERN CCC(CC)(CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854297293 1300504858 /nfs/dbraw/zinc/50/48/58/1300504858.db2.gz MAXPTHVFYZVNCN-OAHLLOKOSA-N 0 0 349.475 2.514 10 10 EFCERN COCCN(CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301134 1300505954 /nfs/dbraw/zinc/50/59/54/1300505954.db2.gz IZIQSORODOMFIZ-MRXNPFEDSA-N 0 0 349.475 2.588 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000854303182 1300506554 /nfs/dbraw/zinc/50/65/54/1300506554.db2.gz SYGDKYUOAPIEFC-XHSDSOJGSA-N 0 0 331.460 2.961 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccncc3)C2)cc1 ZINC000854302502 1300506645 /nfs/dbraw/zinc/50/66/45/1300506645.db2.gz LQKAFSJHULWWCV-INIZCTEOSA-N 0 0 340.427 2.511 10 10 EFCERN COc1ccc(CNc2ncnc3c(OC)cc(OC)cc23)c(O)c1 ZINC000795283546 1300623363 /nfs/dbraw/zinc/62/33/63/1300623363.db2.gz BEXXTFXTHOZPCD-UHFFFAOYSA-N 0 0 341.367 2.973 10 10 EFCERN Cc1cc(COC(=O)c2sc3nc(C)cc(C)c3c2N)ncn1 ZINC000795299368 1300678904 /nfs/dbraw/zinc/67/89/04/1300678904.db2.gz XRIIEABQPKZEJA-UHFFFAOYSA-N 0 0 328.397 2.951 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)C1=CC(=O)CS1 ZINC000855055228 1300776295 /nfs/dbraw/zinc/77/62/95/1300776295.db2.gz CYPGVMMWOUIKJW-CYBMUJFWSA-N 0 0 348.424 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CC3(CSC)CC3)C2)cc1 ZINC000855223157 1300845300 /nfs/dbraw/zinc/84/53/00/1300845300.db2.gz FPKFXFOVURWFJO-CQSZACIVSA-N 0 0 334.485 2.923 10 10 EFCERN CCNc1nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855223279 1300845657 /nfs/dbraw/zinc/84/56/57/1300845657.db2.gz GISMKWRNFFVDPL-GFCCVEGCSA-N 0 0 346.456 2.592 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](F)Cc3ccccc3)C2)cc1 ZINC000855223646 1300845781 /nfs/dbraw/zinc/84/57/81/1300845781.db2.gz BXFRZDBTWMSQIY-QFBILLFUSA-N 0 0 342.414 2.971 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)c3ccccn3)C2)cc1 ZINC000855222986 1300845858 /nfs/dbraw/zinc/84/58/58/1300845858.db2.gz AITVWGQVTYPMQB-OAHLLOKOSA-N 0 0 339.439 2.763 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3ncccc3F)C2)cc1 ZINC000855224379 1300847569 /nfs/dbraw/zinc/84/75/69/1300847569.db2.gz KESLCUTUYLPPFS-ZIAGYGMSSA-N 0 0 343.402 2.728 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cncc(Cl)c3)C2)cc1 ZINC000855224024 1300847657 /nfs/dbraw/zinc/84/76/57/1300847657.db2.gz JVWPICHJYCSJJQ-CQSZACIVSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000855224348 1300847863 /nfs/dbraw/zinc/84/78/63/1300847863.db2.gz JWRUORCCWUPCNB-ZDUSSCGKSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc4cccnc4[nH]3)C2)cc1 ZINC000855226748 1300848331 /nfs/dbraw/zinc/84/83/31/1300848331.db2.gz SXNUOUCPODKHAU-CQSZACIVSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C3CCOCC3)C2)cc1 ZINC000855226581 1300848366 /nfs/dbraw/zinc/84/83/66/1300848366.db2.gz QRUGMGMPLPUGOS-MRXNPFEDSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)C3CCCC3)C2)cc1 ZINC000855227144 1300848629 /nfs/dbraw/zinc/84/86/29/1300848629.db2.gz TXWIAOJXGZWIJW-YJBOKZPZSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000855226524 1300848921 /nfs/dbraw/zinc/84/89/21/1300848921.db2.gz QFXCBSNKEMOEHS-GJYPPUQNSA-N 0 0 346.471 2.985 10 10 EFCERN CCc1csc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000855227503 1300849119 /nfs/dbraw/zinc/84/91/19/1300849119.db2.gz ZHVZRAIKXNZPDK-AWEZNQCLSA-N 0 0 345.468 2.652 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3nc(C)cs3)C2)cc1 ZINC000855227665 1300849271 /nfs/dbraw/zinc/84/92/71/1300849271.db2.gz ZYMURKCTLXYDDB-KGLIPLIRSA-N 0 0 345.468 2.959 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C/c3ccncc3)C2)cc1 ZINC000855226506 1300849468 /nfs/dbraw/zinc/84/94/68/1300849468.db2.gz SQMKERIGFAMCPI-VOGRQWBCSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000855226529 1300849631 /nfs/dbraw/zinc/84/96/31/1300849631.db2.gz QFXCBSNKEMOEHS-TXPKVOOTSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C4CC4)no3)C2)cc1 ZINC000855227062 1300849697 /nfs/dbraw/zinc/84/96/97/1300849697.db2.gz VVJJYOZCTPRGRD-ZDUSSCGKSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)cn3)C2)cc1 ZINC000855229546 1300850484 /nfs/dbraw/zinc/85/04/84/1300850484.db2.gz AHPLMGJUMAKFMF-ZDUSSCGKSA-N 0 0 331.803 2.752 10 10 EFCERN COCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855230340 1300851303 /nfs/dbraw/zinc/85/13/03/1300851303.db2.gz VKBVYTDXZQZKSD-QGZVFWFLSA-N 0 0 340.423 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@H]3CCCC[C@@H]3C)C2)cc1 ZINC000855230305 1300851342 /nfs/dbraw/zinc/85/13/42/1300851342.db2.gz GAAAJEQMDIVKOF-BXWFABGCSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000855230837 1300851442 /nfs/dbraw/zinc/85/14/42/1300851442.db2.gz ZNSJYZHSQZICKT-AWEZNQCLSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000855229312 1300851465 /nfs/dbraw/zinc/85/14/65/1300851465.db2.gz MNOCWYYATAWRAE-CQSZACIVSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)c3cccnc3)C2)cc1 ZINC000855230696 1300851663 /nfs/dbraw/zinc/85/16/63/1300851663.db2.gz HZGNVFDLZOYBIL-WBVHZDCISA-N 0 0 339.439 2.979 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](OC)c3ccccc3)C2)cc1 ZINC000855231527 1300851923 /nfs/dbraw/zinc/85/19/23/1300851923.db2.gz BPYPAPCOUACFKG-APWZRJJASA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000855232577 1300852506 /nfs/dbraw/zinc/85/25/06/1300852506.db2.gz VJDOFXMVLSJGLM-CQSZACIVSA-N 0 0 342.443 2.561 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3COc4ccccc43)C2)cc1 ZINC000855231967 1300852884 /nfs/dbraw/zinc/85/28/84/1300852884.db2.gz PELCMZLDLUHILY-KBXCAEBGSA-N 0 0 338.407 2.566 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3(C(F)(F)F)CC3)C2)cc1 ZINC000855231015 1300853236 /nfs/dbraw/zinc/85/32/36/1300853236.db2.gz RWHXZLNSXOJNED-LLVKDONJSA-N 0 0 328.334 2.733 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3sc(C)nc3C)C2)cc1 ZINC000855231260 1300853398 /nfs/dbraw/zinc/85/33/98/1300853398.db2.gz JKTZBDIGIFPUEI-CYBMUJFWSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CSc3ccncc3)C2)cc1 ZINC000855235130 1300854165 /nfs/dbraw/zinc/85/41/65/1300854165.db2.gz YFTYWHYYFXCGPP-AWEZNQCLSA-N 0 0 343.452 2.577 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3ccccc3)C2)cc1 ZINC000855234695 1300855268 /nfs/dbraw/zinc/85/52/68/1300855268.db2.gz KCCPMAGMUJZRGG-JKSUJKDBSA-N 0 0 340.423 2.858 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000855234499 1300855342 /nfs/dbraw/zinc/85/53/42/1300855342.db2.gz BKZVLGKSSWBBDU-CQSZACIVSA-N 0 0 341.367 2.612 10 10 EFCERN COC(=O)C12CC(C1)CN2C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000855520340 1300994444 /nfs/dbraw/zinc/99/44/44/1300994444.db2.gz LVNJUGGENLJQRH-UHFFFAOYSA-N 0 0 338.407 2.872 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000855579654 1301025302 /nfs/dbraw/zinc/02/53/02/1301025302.db2.gz ZAJQULGTVROSLU-CHWSQXEVSA-N 0 0 325.412 2.786 10 10 EFCERN Cc1ccc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c(O)c1O ZINC000855771992 1301100983 /nfs/dbraw/zinc/10/09/83/1301100983.db2.gz DQCUUFIDDULSTN-GJZGRUSLSA-N 0 0 327.380 2.709 10 10 EFCERN COC(=O)N(C)CCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000855888126 1301158853 /nfs/dbraw/zinc/15/88/53/1301158853.db2.gz MJRMMSSKZXYORW-UHFFFAOYSA-N 0 0 349.456 2.926 10 10 EFCERN Cc1cc(C(=O)NCC(O)(C2CC2)C2CC2)c(C)n1-c1ccccn1 ZINC000855913025 1301170617 /nfs/dbraw/zinc/17/06/17/1301170617.db2.gz WECIGILZBNUYMB-UHFFFAOYSA-N 0 0 339.439 2.770 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCCOC2)cc1 ZINC000859253593 1301410295 /nfs/dbraw/zinc/41/02/95/1301410295.db2.gz ZKSGGXJLGZBWRN-SFHVURJKSA-N 0 0 340.423 2.744 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCCOC1 ZINC000859251970 1301410898 /nfs/dbraw/zinc/41/08/98/1301410898.db2.gz JQVVWOICRIUGAZ-MRXNPFEDSA-N 0 0 326.396 2.815 10 10 EFCERN CNc1cnc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000859282967 1301416753 /nfs/dbraw/zinc/41/67/53/1301416753.db2.gz AMHXRTFWADQJAK-UHFFFAOYSA-N 0 0 339.443 2.685 10 10 EFCERN Cc1cc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000859362826 1301444054 /nfs/dbraw/zinc/44/40/54/1301444054.db2.gz MTKBUCABVVVJQT-CRAIPNDOSA-N 0 0 348.468 2.691 10 10 EFCERN COC(=O)[C@@H](Cc1ccc(C)cc1)NCc1ccc2c(c1)CCO2 ZINC000795442066 1301507380 /nfs/dbraw/zinc/50/73/80/1301507380.db2.gz ZPZSLVDLALKTKR-GOSISDBHSA-N 0 0 325.408 2.804 10 10 EFCERN CCO[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC000859966067 1301655318 /nfs/dbraw/zinc/65/53/18/1301655318.db2.gz OAUZCCBEONEMMM-QGZVFWFLSA-N 0 0 338.423 2.544 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000860049293 1301684495 /nfs/dbraw/zinc/68/44/95/1301684495.db2.gz STJVHTMHKQMVEN-OAHLLOKOSA-N 0 0 327.428 2.898 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@@H](C)CO)ccc1C ZINC000860389453 1301786465 /nfs/dbraw/zinc/78/64/65/1301786465.db2.gz PSHXDORTTMTKLR-AWEZNQCLSA-N 0 0 328.412 2.668 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCN(C)C3=O)c1 ZINC000861214812 1302043022 /nfs/dbraw/zinc/04/30/22/1302043022.db2.gz QJHPDNQATMXLGU-UHFFFAOYSA-N 0 0 339.395 2.650 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2=CCOCC2)c1 ZINC000861864127 1302224750 /nfs/dbraw/zinc/22/47/50/1302224750.db2.gz JCQNOCVFSYLXNJ-UHFFFAOYSA-N 0 0 338.407 2.983 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000777223491 1302253231 /nfs/dbraw/zinc/25/32/31/1302253231.db2.gz ZDIRCUURMLRYRY-GFCCVEGCSA-N 0 0 337.221 2.502 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000777223492 1302253355 /nfs/dbraw/zinc/25/33/55/1302253355.db2.gz ZDIRCUURMLRYRY-LBPRGKRZSA-N 0 0 337.221 2.502 10 10 EFCERN Cc1cn(CC(=O)NCc2cc(Cl)ccc2O)nc1C(F)(F)F ZINC000862130126 1302292193 /nfs/dbraw/zinc/29/21/93/1302292193.db2.gz DBGSBQLCILKORH-UHFFFAOYSA-N 0 0 347.724 2.886 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCC12CC2 ZINC000862226013 1302312781 /nfs/dbraw/zinc/31/27/81/1302312781.db2.gz OLIQTCQOAZGLQA-GOSISDBHSA-N 0 0 328.456 2.844 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCC12CC2 ZINC000862226014 1302313265 /nfs/dbraw/zinc/31/32/65/1302313265.db2.gz OLIQTCQOAZGLQA-SFHVURJKSA-N 0 0 328.456 2.844 10 10 EFCERN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862233982 1302316444 /nfs/dbraw/zinc/31/64/44/1302316444.db2.gz ZCMUOQDJPYIBDQ-MRXNPFEDSA-N 0 0 339.430 2.864 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862387158 1302360660 /nfs/dbraw/zinc/36/06/60/1302360660.db2.gz IBITUBPARQBMHR-YMTOWFKASA-N 0 0 338.320 2.776 10 10 EFCERN O=C1CCC2=C(CC[N@@H+](Cc3c(O)cccc3Br)C2)N1 ZINC000862408479 1302371955 /nfs/dbraw/zinc/37/19/55/1302371955.db2.gz HHOYZOVCATXLEX-UHFFFAOYSA-N 0 0 337.217 2.525 10 10 EFCERN C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000862432642 1302381969 /nfs/dbraw/zinc/38/19/69/1302381969.db2.gz LTTVQMZRRGCVGI-INIZCTEOSA-N 0 0 325.767 2.888 10 10 EFCERN CCOc1ccc(O)c(CNc2cc(C(=O)NC)ccc2OC)c1 ZINC000118941235 1302388333 /nfs/dbraw/zinc/38/83/33/1302388333.db2.gz BVQUFSUTJSNAKE-UHFFFAOYSA-N 0 0 330.384 2.771 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1ccc(OC)c(C)c1 ZINC000862474973 1302395190 /nfs/dbraw/zinc/39/51/90/1302395190.db2.gz UXUCGCUVFUNDIE-GOSISDBHSA-N 0 0 343.423 2.886 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000862649873 1302433215 /nfs/dbraw/zinc/43/32/15/1302433215.db2.gz JEJQKIKEXAEEJZ-RBUKOAKNSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1cc(CNC(=O)[C@]2(C)CCC(=O)NC2)c(C)n1-c1ccccc1 ZINC000863164341 1302545593 /nfs/dbraw/zinc/54/55/93/1302545593.db2.gz HCFNEWCCDKLGJR-HXUWFJFHSA-N 0 0 339.439 2.627 10 10 EFCERN Cc1cc(CNC(=O)[C@H]2CCCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000863163438 1302545643 /nfs/dbraw/zinc/54/56/43/1302545643.db2.gz COHFOADFWBFTRV-GOSISDBHSA-N 0 0 339.439 2.579 10 10 EFCERN Cc1cc(CN2C(=O)/C(=C/c3c(C)noc3C)SC2=S)no1 ZINC000864357359 1302899226 /nfs/dbraw/zinc/89/92/26/1302899226.db2.gz XEWGHYOUGBBTCX-XGICHPGQSA-N 0 0 335.410 2.989 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(C)=O)cc1 ZINC000864636610 1303007570 /nfs/dbraw/zinc/00/75/70/1303007570.db2.gz PRNOMFPCBAOLSB-GOSISDBHSA-N 0 0 331.460 2.502 10 10 EFCERN CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000864950575 1303097263 /nfs/dbraw/zinc/09/72/63/1303097263.db2.gz WZVMIZFDCHCQIH-IEBWSBKVSA-N 0 0 348.487 2.931 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000864949898 1303097574 /nfs/dbraw/zinc/09/75/74/1303097574.db2.gz PPHUTNAOIQQFBR-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN CCO[C@@H]1COCC[C@H]1CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027139 1303126941 /nfs/dbraw/zinc/12/69/41/1303126941.db2.gz IEOYELKSIRSGOH-PKOBYXMFSA-N 0 0 348.487 2.933 10 10 EFCERN CN(c1ccc(CNC(=O)[C@H](O)c2c[nH]cn2)cc1)C1CCCCC1 ZINC000865028266 1303126983 /nfs/dbraw/zinc/12/69/83/1303126983.db2.gz LCMPKMZVOOKOSP-GOSISDBHSA-N 0 0 342.443 2.528 10 10 EFCERN CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000865031773 1303128818 /nfs/dbraw/zinc/12/88/18/1303128818.db2.gz OEXLCSOLLNDBMW-HKUYNNGSSA-N 0 0 346.471 2.735 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3c[nH]nc3[C@H]3CCCO3)ccc21 ZINC000865053653 1303141032 /nfs/dbraw/zinc/14/10/32/1303141032.db2.gz LFOJYZRZGHQOQE-QGZVFWFLSA-N 0 0 340.427 2.574 10 10 EFCERN C[C@@H](O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000865452401 1303263978 /nfs/dbraw/zinc/26/39/78/1303263978.db2.gz HFYVZOYGXZUKTB-CYBMUJFWSA-N 0 0 345.418 2.847 10 10 EFCERN C[C@H](Nc1nc2cnccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000865468827 1303270945 /nfs/dbraw/zinc/27/09/45/1303270945.db2.gz DVQMEKCJUDVKGQ-AWEZNQCLSA-N 0 0 337.427 2.978 10 10 EFCERN CCOC(=O)CCc1cc(NCc2ccc(OC)cc2O)nc(C)n1 ZINC000865749939 1303384803 /nfs/dbraw/zinc/38/48/03/1303384803.db2.gz IVAPSDGVTUNVRJ-UHFFFAOYSA-N 0 0 345.399 2.607 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865779313 1303397028 /nfs/dbraw/zinc/39/70/28/1303397028.db2.gz GRPKXNDQEMOPAU-NSHDSACASA-N 0 0 329.799 2.860 10 10 EFCERN COc1cc(CNc2cc3n(n2)CC[N@H+](C)C3)c(O)c(C(C)(C)C)c1 ZINC000865846272 1303426744 /nfs/dbraw/zinc/42/67/44/1303426744.db2.gz OKPULWKIJLMNMC-UHFFFAOYSA-N 0 0 344.459 2.952 10 10 EFCERN C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000865903383 1303448193 /nfs/dbraw/zinc/44/81/93/1303448193.db2.gz QFVYAQFWDXFTFH-SWLSCSKDSA-N 0 0 326.400 2.723 10 10 EFCERN Cc1cc(CC(=O)NCc2cn[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000748420490 1313918188 /nfs/dbraw/zinc/91/81/88/1313918188.db2.gz YNRDZGVPHFIEKS-UHFFFAOYSA-N 0 0 343.818 2.725 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nnc(C2CC2)o1 ZINC000866010636 1303487815 /nfs/dbraw/zinc/48/78/15/1303487815.db2.gz YNAZGRMPGCTEAY-GFCCVEGCSA-N 0 0 328.416 2.682 10 10 EFCERN CN(C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000866028867 1303495248 /nfs/dbraw/zinc/49/52/48/1303495248.db2.gz JIQUJXRIJWPLKL-MYSGNRETSA-N 0 0 348.447 2.586 10 10 EFCERN Oc1cccc2c1CN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC000866117846 1303532860 /nfs/dbraw/zinc/53/28/60/1303532860.db2.gz SEEKEKKUARRPQV-UHFFFAOYSA-N 0 0 348.406 2.692 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866211506 1303565309 /nfs/dbraw/zinc/56/53/09/1303565309.db2.gz IWZWLBMQZLXUSG-VJUNAUMWSA-N 0 0 346.446 2.695 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866412606 1303627010 /nfs/dbraw/zinc/62/70/10/1303627010.db2.gz KWBFXKSPJPNARY-NEPJUHHUSA-N 0 0 346.393 2.907 10 10 EFCERN C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000866437753 1303638565 /nfs/dbraw/zinc/63/85/65/1303638565.db2.gz NPIIIMJPANUKRE-SNVBAGLBSA-N 0 0 331.359 2.679 10 10 EFCERN C[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000866441730 1303641609 /nfs/dbraw/zinc/64/16/09/1303641609.db2.gz SISUDOWYXMWTCS-CYBMUJFWSA-N 0 0 329.448 2.616 10 10 EFCERN CN1CCCc2cc(CNS(=O)(=O)C[C@@H]3CCC3(F)F)ccc21 ZINC000866674398 1303743154 /nfs/dbraw/zinc/74/31/54/1303743154.db2.gz YOBAJTOVHWFHPF-AWEZNQCLSA-N 0 0 344.427 2.534 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)c1 ZINC000866763452 1303783329 /nfs/dbraw/zinc/78/33/29/1303783329.db2.gz DVZGEPPKAOSAGF-SSDOTTSWSA-N 0 0 329.278 2.634 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000866765106 1303784161 /nfs/dbraw/zinc/78/41/61/1303784161.db2.gz RRNAPJSMASWWKU-RWMBFGLXSA-N 0 0 335.400 2.557 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)C[C@H](C)CC3)c1 ZINC000866765627 1303784187 /nfs/dbraw/zinc/78/41/87/1303784187.db2.gz XUPGEHKOWAOSEB-NEPJUHHUSA-N 0 0 329.400 2.671 10 10 EFCERN C[C@H](NC(=O)Cc1cnn2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000867503163 1303836848 /nfs/dbraw/zinc/83/68/48/1303836848.db2.gz GXBMSJNHIFNQIL-AWEZNQCLSA-N 0 0 326.444 2.705 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867691239 1303911829 /nfs/dbraw/zinc/91/18/29/1303911829.db2.gz SMFXIAHMNUVGTD-UHFFFAOYSA-N 0 0 333.409 2.722 10 10 EFCERN COc1cc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000867691175 1303911864 /nfs/dbraw/zinc/91/18/64/1303911864.db2.gz YDDSFKVIGJYTAM-UHFFFAOYSA-N 0 0 333.409 2.722 10 10 EFCERN C[C@]1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000867690546 1303912026 /nfs/dbraw/zinc/91/20/26/1303912026.db2.gz HROBJSUGBKSSAO-GFCCVEGCSA-N 0 0 336.240 2.622 10 10 EFCERN O=S(=O)(c1onc(C2CC2)c1Cl)N1Cc2cccc(O)c2C1 ZINC000867690769 1303912170 /nfs/dbraw/zinc/91/21/70/1303912170.db2.gz MGWGELIHJBISPC-UHFFFAOYSA-N 0 0 340.788 2.616 10 10 EFCERN C[C@@H](NS(=O)(=O)CC1Cc2ccccc2C1)c1ccccc1O ZINC000867835157 1303977716 /nfs/dbraw/zinc/97/77/16/1303977716.db2.gz UYKUOVTXVVQCRU-CYBMUJFWSA-N 0 0 331.437 2.788 10 10 EFCERN C[C@H](NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000867836553 1303979029 /nfs/dbraw/zinc/97/90/29/1303979029.db2.gz XNVMOLQZRUIPHN-JOYOIKCWSA-N 0 0 338.256 2.957 10 10 EFCERN C[C@H](NS(=O)(=O)CCOCC1CCCC1)c1ccccc1O ZINC000867836322 1303979083 /nfs/dbraw/zinc/97/90/83/1303979083.db2.gz OLBUCDZBJKEPFC-ZDUSSCGKSA-N 0 0 327.446 2.579 10 10 EFCERN C[C@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000868005487 1304072338 /nfs/dbraw/zinc/07/23/38/1304072338.db2.gz RHXWXXPOHFYINF-LBPRGKRZSA-N 0 0 328.368 2.724 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1OC ZINC000868069793 1304109437 /nfs/dbraw/zinc/10/94/37/1304109437.db2.gz UKRXKHDHDOGJKV-LBPRGKRZSA-N 0 0 330.384 2.970 10 10 EFCERN C[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000868110220 1304131212 /nfs/dbraw/zinc/13/12/12/1304131212.db2.gz WIAQZPMJSUGDDW-NWDGAFQWSA-N 0 0 345.365 2.637 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)[C@@H]1CCOC1 ZINC000868110296 1304131522 /nfs/dbraw/zinc/13/15/22/1304131522.db2.gz YFNRMCIFEWXQRG-AEFFLSMTSA-N 0 0 335.444 2.963 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(N)c3)CC2)cc1 ZINC000868193786 1304181550 /nfs/dbraw/zinc/18/15/50/1304181550.db2.gz XBZYBYKIFUYPHO-UHFFFAOYSA-N 0 0 340.427 2.940 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868313917 1304237222 /nfs/dbraw/zinc/23/72/22/1304237222.db2.gz DWYUYBMRJRRYAA-VXGBXAGGSA-N 0 0 330.432 2.734 10 10 EFCERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868345932 1304254191 /nfs/dbraw/zinc/25/41/91/1304254191.db2.gz UIYIDNBLBJJKOA-QTLPULKOSA-N 0 0 338.473 2.832 10 10 EFCERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868513579 1304334078 /nfs/dbraw/zinc/33/40/78/1304334078.db2.gz HGJKCPCUSIUZCB-MELADBBJSA-N 0 0 349.431 2.619 10 10 EFCERN C[C@H](NC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(N(C)C)cc1 ZINC000868515024 1304335032 /nfs/dbraw/zinc/33/50/32/1304335032.db2.gz HMCOSIQFYHVNFC-DIUUUIEZSA-N 0 0 329.444 2.536 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(SC)CC3)C2)cc1 ZINC000868761274 1304460233 /nfs/dbraw/zinc/46/02/33/1304460233.db2.gz BIDRRXVYHHRSRN-CQSZACIVSA-N 0 0 349.500 2.811 10 10 EFCERN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868790275 1304476867 /nfs/dbraw/zinc/47/68/67/1304476867.db2.gz SCZLJEORTQHEHP-QITLCBANSA-N 0 0 334.416 2.874 10 10 EFCERN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868790277 1304477092 /nfs/dbraw/zinc/47/70/92/1304477092.db2.gz SCZLJEORTQHEHP-XLWVJDPXSA-N 0 0 334.416 2.874 10 10 EFCERN C[C@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC000868799454 1304481889 /nfs/dbraw/zinc/48/18/89/1304481889.db2.gz ARDDEZGTXUWQMF-VIFPVBQESA-N 0 0 342.321 2.705 10 10 EFCERN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)c1ccccc1O ZINC000868799813 1304482604 /nfs/dbraw/zinc/48/26/04/1304482604.db2.gz FAFIJXDEAQVQJP-CJNGLKHVSA-N 0 0 326.396 2.894 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)C2)cc1 ZINC000868955732 1304547710 /nfs/dbraw/zinc/54/77/10/1304547710.db2.gz DXKYKFUNIKCKOW-GFPCFBFFSA-N 0 0 328.456 2.930 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000869004678 1304572905 /nfs/dbraw/zinc/57/29/05/1304572905.db2.gz YDTYDKQLZRTPQM-XAYKYTGQSA-N 0 0 348.443 2.966 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC23CCOCC3)c1 ZINC000869029064 1304582887 /nfs/dbraw/zinc/58/28/87/1304582887.db2.gz TYLIUHZTHDEIPF-UONOGXRCSA-N 0 0 348.443 2.968 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000869049069 1304590212 /nfs/dbraw/zinc/59/02/12/1304590212.db2.gz QAJYJDKJIKUZGB-IFIJOSMWSA-N 0 0 348.443 2.824 10 10 EFCERN C[C@@H](NC(=O)NC[C@H]1CC(=O)c2ccccc2O1)c1ccccc1O ZINC000869089318 1304608627 /nfs/dbraw/zinc/60/86/27/1304608627.db2.gz IRCTUQWOHOMXIP-CHWSQXEVSA-N 0 0 340.379 2.786 10 10 EFCERN Cc1cn(C2CCOCC2)nc1C(=O)NCc1cc(Cl)ccc1O ZINC000869145844 1304632423 /nfs/dbraw/zinc/63/24/23/1304632423.db2.gz BFLGIQFAKRZGSW-UHFFFAOYSA-N 0 0 349.818 2.832 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000869203492 1304657981 /nfs/dbraw/zinc/65/79/81/1304657981.db2.gz DBSCJUNHLFGOQI-ZWKOTPCHSA-N 0 0 331.460 2.709 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000869204948 1304658873 /nfs/dbraw/zinc/65/88/73/1304658873.db2.gz GOQHGBLDYDDOAJ-KNXALSJPSA-N 0 0 334.416 2.576 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCn2nccc21 ZINC000869218165 1304664823 /nfs/dbraw/zinc/66/48/23/1304664823.db2.gz JZFBQWCGLLRXAS-MRXNPFEDSA-N 0 0 327.432 2.592 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3CC4(CSC4)C3)C2)cc1 ZINC000869228710 1304670305 /nfs/dbraw/zinc/67/03/05/1304670305.db2.gz MNHHLETUSQQFEZ-CQSZACIVSA-N 0 0 332.469 2.533 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3ccncc3)C2)cc1 ZINC000869228996 1304670522 /nfs/dbraw/zinc/67/05/22/1304670522.db2.gz QXBNIMPRXYRGLC-HOCLYGCPSA-N 0 0 325.412 2.589 10 10 EFCERN Cc1cc(CNC(=O)[C@H]2CCC(=O)O2)c(C)n1-c1cccc(C)c1 ZINC000869457558 1304790516 /nfs/dbraw/zinc/79/05/16/1304790516.db2.gz WBSAXDQFASHBBV-QGZVFWFLSA-N 0 0 326.396 2.724 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC34CC4)CC2)c(OC)c1 ZINC000870166960 1305186158 /nfs/dbraw/zinc/18/61/58/1305186158.db2.gz ZAKKIRDXLHGVSP-INIZCTEOSA-N 0 0 344.455 2.933 10 10 EFCERN Cc1cc(CC(=O)NCC[C@H](O)C(F)F)c(C)n1-c1ccccc1 ZINC000870425549 1305315044 /nfs/dbraw/zinc/31/50/44/1305315044.db2.gz ZHQRIHKHYQBIOI-INIZCTEOSA-N 0 0 336.382 2.769 10 10 EFCERN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1Cc2cccc(O)c2C1 ZINC000871198324 1305884872 /nfs/dbraw/zinc/88/48/72/1305884872.db2.gz HNPSRSKWHFGIMU-UHFFFAOYSA-N 0 0 349.390 2.906 10 10 EFCERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871197730 1305885050 /nfs/dbraw/zinc/88/50/50/1305885050.db2.gz DJEYMOFTYDYUIH-ZDUSSCGKSA-N 0 0 340.379 2.549 10 10 EFCERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871199433 1305886117 /nfs/dbraw/zinc/88/61/17/1305886117.db2.gz XLFQYWYYSWPYSS-HNNXBMFYSA-N 0 0 334.416 2.784 10 10 EFCERN COc1cccc(CCC(=O)N2Cc3cccc(O)c3C2)c1OC ZINC000871199588 1305886645 /nfs/dbraw/zinc/88/66/45/1305886645.db2.gz RIMVZOCITDRLOY-UHFFFAOYSA-N 0 0 327.380 2.884 10 10 EFCERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1Cc2cccc(O)c2C1 ZINC000871199162 1305886883 /nfs/dbraw/zinc/88/68/83/1305886883.db2.gz TXAHKUYLZOFLSO-CQSZACIVSA-N 0 0 336.391 2.826 10 10 EFCERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200840 1305887240 /nfs/dbraw/zinc/88/72/40/1305887240.db2.gz KBPVZZYXODBSAM-HNNXBMFYSA-N 0 0 330.428 2.662 10 10 EFCERN O=C(C1CCN(CC(F)(F)F)CC1)N1Cc2cccc(O)c2C1 ZINC000871200572 1305887367 /nfs/dbraw/zinc/88/73/67/1305887367.db2.gz GRUKDOYFKUUFMK-UHFFFAOYSA-N 0 0 328.334 2.509 10 10 EFCERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200813 1305887453 /nfs/dbraw/zinc/88/74/53/1305887453.db2.gz JGVSICXWGFZEPU-CYBMUJFWSA-N 0 0 330.428 2.710 10 10 EFCERN O=C([C@@H]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1)N1CCCC1 ZINC000871200748 1305887633 /nfs/dbraw/zinc/88/76/33/1305887633.db2.gz HZWFKHIIMYGMHY-HZPDHXFCSA-N 0 0 342.439 2.663 10 10 EFCERN CC(C)S(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200536 1305888028 /nfs/dbraw/zinc/88/80/28/1305888028.db2.gz FQPJSQVHEVDSBW-UHFFFAOYSA-N 0 0 345.420 2.730 10 10 EFCERN CC1(C)Cc2ccc(C(=O)N3Cc4cccc(O)c4C3)c(O)c2O1 ZINC000871203821 1305889813 /nfs/dbraw/zinc/88/98/13/1305889813.db2.gz RVFNYSOTYBAKLQ-UHFFFAOYSA-N 0 0 325.364 2.967 10 10 EFCERN COC(=O)c1ccccc1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204365 1305889933 /nfs/dbraw/zinc/88/99/33/1305889933.db2.gz ZDRBGCXAQTWWIV-UHFFFAOYSA-N 0 0 325.364 2.654 10 10 EFCERN C[C@](O)(CSc1cccc(F)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204708 1305890494 /nfs/dbraw/zinc/89/04/94/1305890494.db2.gz IEMHLKLEQJIMIG-SFHVURJKSA-N 0 0 347.411 2.917 10 10 EFCERN CN1c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2C(C)(C)C1=O ZINC000871205807 1305890903 /nfs/dbraw/zinc/89/09/03/1305890903.db2.gz LDJAVXATVZSZCH-UHFFFAOYSA-N 0 0 336.391 2.802 10 10 EFCERN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205495 1305891042 /nfs/dbraw/zinc/89/10/42/1305891042.db2.gz UMKPXVJUCWMNDG-HNNXBMFYSA-N 0 0 346.427 2.880 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871207251 1305892041 /nfs/dbraw/zinc/89/20/41/1305892041.db2.gz LJOAEMDTYWVXOQ-JOCQHMNTSA-N 0 0 332.400 2.538 10 10 EFCERN COc1cc(CCC(=O)N2Cc3cccc(O)c3C2)cc(OC)c1O ZINC000871207694 1305892150 /nfs/dbraw/zinc/89/21/50/1305892150.db2.gz QZCNFPFBGKCIIL-UHFFFAOYSA-N 0 0 343.379 2.590 10 10 EFCERN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1N1CCOCC1 ZINC000871207331 1305892807 /nfs/dbraw/zinc/89/28/07/1305892807.db2.gz NJRJVAPMRWEZRC-UHFFFAOYSA-N 0 0 338.407 2.693 10 10 EFCERN O=C(NCc1ccccc1O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000748840983 1314151053 /nfs/dbraw/zinc/15/10/53/1314151053.db2.gz GTDWNCKZFORGTR-UHFFFAOYSA-N 0 0 328.343 2.566 10 10 EFCERN C/C=C/[C@H](O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000900129898 1307695864 /nfs/dbraw/zinc/69/58/64/1307695864.db2.gz PCHZSKSIZPMCFE-JXTAAOLFSA-N 0 0 328.412 2.811 10 10 EFCERN COC(=O)C[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900341890 1308013907 /nfs/dbraw/zinc/01/39/07/1308013907.db2.gz IWSHJNIEIYVSNF-LLVKDONJSA-N 0 0 349.408 2.870 10 10 EFCERN COC(=O)C[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900341891 1308014078 /nfs/dbraw/zinc/01/40/78/1308014078.db2.gz IWSHJNIEIYVSNF-NSHDSACASA-N 0 0 349.408 2.870 10 10 EFCERN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538717 1308092763 /nfs/dbraw/zinc/09/27/63/1308092763.db2.gz ZWEXKKFBELQXKJ-HNNXBMFYSA-N 0 0 340.423 2.634 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1ccccc1OC ZINC000900400650 1308129124 /nfs/dbraw/zinc/12/91/24/1308129124.db2.gz PSCOANMOAJQJSR-LJQANCHMSA-N 0 0 342.439 2.843 10 10 EFCERN CC[C@H](C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000900409577 1308136835 /nfs/dbraw/zinc/13/68/35/1308136835.db2.gz JLMDEGUJSHLGEJ-RTHLEPHNSA-N 0 0 337.397 2.630 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(C2CCOCC2)C1 ZINC000800700822 1308267946 /nfs/dbraw/zinc/26/79/46/1308267946.db2.gz QSFUVRDPGYVMDC-UHFFFAOYSA-N 0 0 343.471 2.855 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C2CCOCC2)C1 ZINC000800707083 1308276496 /nfs/dbraw/zinc/27/64/96/1308276496.db2.gz PAKGNUZNVLMTID-UHFFFAOYSA-N 0 0 331.460 2.629 10 10 EFCERN CCc1nc(C)c(CC(=O)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC000900732030 1308597947 /nfs/dbraw/zinc/59/79/47/1308597947.db2.gz IIRIVELQTFYXKC-UHFFFAOYSA-N 0 0 340.471 2.889 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1cccc(C)c1 ZINC000801142254 1309220355 /nfs/dbraw/zinc/22/03/55/1309220355.db2.gz DMIBZCIUICWYQJ-HDICACEKSA-N 0 0 340.423 2.642 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000901052445 1309303808 /nfs/dbraw/zinc/30/38/08/1309303808.db2.gz JNGUECLXKMXYLS-UHFFFAOYSA-N 0 0 339.395 2.813 10 10 EFCERN COc1ccccc1[C@@H](O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000901133309 1309568964 /nfs/dbraw/zinc/56/89/64/1309568964.db2.gz WBLCSESQCOOIDA-LJQANCHMSA-N 0 0 341.407 2.629 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)O ZINC000901332037 1310162225 /nfs/dbraw/zinc/16/22/25/1310162225.db2.gz ZXAQMBBPVVNBIG-KDOFPFPSSA-N 0 0 343.423 2.614 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000801747112 1310847662 /nfs/dbraw/zinc/84/76/62/1310847662.db2.gz KMWRVPRWSBWVHE-XJKSGUPXSA-N 0 0 349.500 2.777 10 10 EFCERN Cc1nc2c(cccc2C(=O)Nc2cccc(N3CCOCC3)c2)[nH]1 ZINC000801831838 1310984747 /nfs/dbraw/zinc/98/47/47/1310984747.db2.gz YXYGZQKNOFTPCZ-UHFFFAOYSA-N 0 0 336.395 2.960 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CCO1 ZINC001222191719 1311096721 /nfs/dbraw/zinc/09/67/21/1311096721.db2.gz JQXDMRKAAILGQA-HZPDHXFCSA-N 0 0 329.444 2.772 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccnc1-n1cccn1 ZINC001159033425 1311437907 /nfs/dbraw/zinc/43/79/07/1311437907.db2.gz IJZPHYVTAJDGCI-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN COC(=O)C[C@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001159299142 1311489100 /nfs/dbraw/zinc/48/91/00/1311489100.db2.gz UWUROJBRXXZFST-LBPRGKRZSA-N 0 0 342.395 2.588 10 10 EFCERN CCN1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1=O ZINC000802373317 1311601740 /nfs/dbraw/zinc/60/17/40/1311601740.db2.gz MBBWXZRQNGPHIT-ZDUSSCGKSA-N 0 0 331.441 2.506 10 10 EFCERN O=C(Cc1cncc(O)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160564006 1311737528 /nfs/dbraw/zinc/73/75/28/1311737528.db2.gz VGEBMAFFMFNIJH-UHFFFAOYSA-N 0 0 345.362 2.678 10 10 EFCERN Cn1cc(-c2ncccc2NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC001160762719 1311776513 /nfs/dbraw/zinc/77/65/13/1311776513.db2.gz MWCQCQGYKCWILV-FNORWQNLSA-N 0 0 336.351 2.545 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(CC)on1 ZINC000802609618 1311833076 /nfs/dbraw/zinc/83/30/76/1311833076.db2.gz GXBLFRMPDISCQF-UHFFFAOYSA-N 0 0 345.399 2.710 10 10 EFCERN COCc1nsc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001161066416 1311850938 /nfs/dbraw/zinc/85/09/38/1311850938.db2.gz QJLIBELDVPSGPC-UHFFFAOYSA-N 0 0 337.382 2.563 10 10 EFCERN COCc1cc(O)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001161482973 1311898573 /nfs/dbraw/zinc/89/85/73/1311898573.db2.gz MEHZPQRKWNDTOG-UHFFFAOYSA-N 0 0 328.328 2.953 10 10 EFCERN COc1cccc(CNC(=O)[C@@H](C)Cn2ncc3ccccc32)c1O ZINC000802781760 1312016250 /nfs/dbraw/zinc/01/62/50/1312016250.db2.gz GLCFSNZTXFGIFT-ZDUSSCGKSA-N 0 0 339.395 2.703 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(OC)c(Cl)c2)c1 ZINC000802782575 1312017922 /nfs/dbraw/zinc/01/79/22/1312017922.db2.gz YCNFPEMOHCBLGB-SECBINFHSA-N 0 0 336.775 2.949 10 10 EFCERN Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(O)c1 ZINC001162113774 1312050337 /nfs/dbraw/zinc/05/03/37/1312050337.db2.gz ITJZBSCDGITJRJ-AWEZNQCLSA-N 0 0 327.428 2.831 10 10 EFCERN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(O)cc1O ZINC001162278245 1312079344 /nfs/dbraw/zinc/07/93/44/1312079344.db2.gz FXPCAJBGJMTGGE-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001162278786 1312079544 /nfs/dbraw/zinc/07/95/44/1312079544.db2.gz MPWGGSCGAQYRAC-VXGBXAGGSA-N 0 0 337.297 2.935 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162482206 1312111694 /nfs/dbraw/zinc/11/16/94/1312111694.db2.gz FMUDKJDVLSELHP-UHFFFAOYSA-N 0 0 328.372 2.680 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001162607723 1312134622 /nfs/dbraw/zinc/13/46/22/1312134622.db2.gz WOPYVBLRPSXZMJ-UHFFFAOYSA-N 0 0 342.376 2.719 10 10 EFCERN CC(C)(C(=O)NCc1ccc2cccnc2c1O)c1nccs1 ZINC001162612054 1312135784 /nfs/dbraw/zinc/13/57/84/1312135784.db2.gz BCLONHHWMAHZFU-UHFFFAOYSA-N 0 0 327.409 2.991 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2nc[nH]c(=O)c21 ZINC001162612243 1312135870 /nfs/dbraw/zinc/13/58/70/1312135870.db2.gz FLKZNUMOCACZKS-UHFFFAOYSA-N 0 0 346.346 2.519 10 10 EFCERN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(N)c1F ZINC001162613180 1312135881 /nfs/dbraw/zinc/13/58/81/1312135881.db2.gz YAZKNLCHMZHKKW-UHFFFAOYSA-N 0 0 341.342 2.600 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1COC[C@H]1c1ccccc1 ZINC001162612033 1312136091 /nfs/dbraw/zinc/13/60/91/1312136091.db2.gz ACOHNCUTRXFVED-ROUUACIJSA-N 0 0 348.402 2.987 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001230194909 1312202936 /nfs/dbraw/zinc/20/29/36/1312202936.db2.gz HLNYRHVYOKMSRW-ZVZYQTTQSA-N 0 0 333.476 2.859 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc(F)c1Br ZINC001163032254 1312230308 /nfs/dbraw/zinc/23/03/08/1312230308.db2.gz ZLLOAYDBTDJMRR-SSDOTTSWSA-N 0 0 342.168 2.833 10 10 EFCERN CC[C@@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC001163188856 1312260182 /nfs/dbraw/zinc/26/01/82/1312260182.db2.gz IZOJIXBFBFAOKW-INIZCTEOSA-N 0 0 342.439 2.952 10 10 EFCERN COc1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000803090213 1312263469 /nfs/dbraw/zinc/26/34/69/1312263469.db2.gz XGOVZFVFFIYDFV-VIFPVBQESA-N 0 0 336.775 2.516 10 10 EFCERN COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001164036550 1312434603 /nfs/dbraw/zinc/43/46/03/1312434603.db2.gz DUUKWMSWWQWCCI-UHFFFAOYSA-N 0 0 335.743 2.719 10 10 EFCERN C[C@H](NCc1cn(C)nc1Br)c1c(O)cccc1F ZINC000903188689 1312443538 /nfs/dbraw/zinc/44/35/38/1312443538.db2.gz VZPKUVPPGCZVII-QMMMGPOBSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000903260922 1312516126 /nfs/dbraw/zinc/51/61/26/1312516126.db2.gz STAWLLHUXBQZQS-ZNFPMYQNSA-N 0 0 345.212 2.598 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327718 1312573365 /nfs/dbraw/zinc/57/33/65/1312573365.db2.gz XWESYVIXLWKTRV-BDJLRTHQSA-N 0 0 327.384 2.771 10 10 EFCERN COc1ccc(CN2CCN(C(=O)c3ccc(C)cc3)CC2)c(O)c1 ZINC000181414347 1314774334 /nfs/dbraw/zinc/77/43/34/1314774334.db2.gz VGRARGXUHYBBPV-UHFFFAOYSA-N 0 0 340.423 2.667 10 10 EFCERN O=C(NCc1ccc2oc(=O)[nH]c2c1)NCc1cccc(Cl)c1O ZINC001248467868 1314937086 /nfs/dbraw/zinc/93/70/86/1314937086.db2.gz WOECLWOECVRFOG-UHFFFAOYSA-N 0 0 347.758 2.892 10 10 EFCERN C[Si](C)(C)c1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC001252438898 1315449536 /nfs/dbraw/zinc/44/95/36/1315449536.db2.gz HBUVFMZUZLSRDR-UHFFFAOYSA-N 0 0 328.488 2.937 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001255331810 1315804847 /nfs/dbraw/zinc/80/48/47/1315804847.db2.gz WFEMXXVJENXSEJ-JTQLQIEISA-N 0 0 333.319 3.000 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1c[nH]c(=O)c2ccccc12 ZINC001255577886 1315842799 /nfs/dbraw/zinc/84/27/99/1315842799.db2.gz DLVYWCKSNDMQEQ-UHFFFAOYSA-N 0 0 337.379 2.988 10 10 EFCERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nc(C(F)(F)F)no1 ZINC001256503420 1315950068 /nfs/dbraw/zinc/95/00/68/1315950068.db2.gz DYRMXJDWNMXJCK-YUMQZZPRSA-N 0 0 344.293 2.915 10 10 EFCERN C/C=C/c1ccc(OCC(=O)NCc2ccc(O)cc2O)c(OC)c1 ZINC001299570105 1316220653 /nfs/dbraw/zinc/22/06/53/1316220653.db2.gz GYLQMKPFSFJCBM-ONEGZZNKSA-N 0 0 343.379 2.835 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@]23CCOC3)cc1F ZINC001261392983 1316408695 /nfs/dbraw/zinc/40/86/95/1316408695.db2.gz RCUTXFZNGNLTHI-GOSISDBHSA-N 0 0 335.423 2.746 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2COCC3)c1 ZINC001261730514 1316427821 /nfs/dbraw/zinc/42/78/21/1316427821.db2.gz ASOOLDBVBRRAQG-GFCCVEGCSA-N 0 0 327.380 2.965 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001261730283 1316427899 /nfs/dbraw/zinc/42/78/99/1316427899.db2.gz VLEDGQFRDZXICE-KRWDZBQOSA-N 0 0 332.444 2.682 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C3CC4(CSC4)C3)CC2)cc1 ZINC001261853862 1316434067 /nfs/dbraw/zinc/43/40/67/1316434067.db2.gz UTSOZBVQDCFYJI-UHFFFAOYSA-N 0 0 346.496 2.877 10 10 EFCERN COCCOC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000586478483 1316549189 /nfs/dbraw/zinc/54/91/89/1316549189.db2.gz FSUFETRPMWPSFR-UHFFFAOYSA-N 0 0 325.320 2.657 10 10 EFCERN CCCn1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001264287465 1316602878 /nfs/dbraw/zinc/60/28/78/1316602878.db2.gz ZLDJCCJYFSOKIL-UHFFFAOYSA-N 0 0 327.432 2.561 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@]2(C)OCCc3ccccc32)cc1F ZINC001264827074 1316671372 /nfs/dbraw/zinc/67/13/72/1316671372.db2.gz NMNREPCFVHZGSV-HXUWFJFHSA-N 0 0 342.414 2.996 10 10 EFCERN CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280189002 1317473366 /nfs/dbraw/zinc/47/33/66/1317473366.db2.gz FPXVWMVDICDPMG-NWDGAFQWSA-N 0 0 347.419 2.662 10 10 EFCERN CCC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001285246162 1320784346 /nfs/dbraw/zinc/78/43/46/1320784346.db2.gz HQZOFZXOWYFRRJ-AWEZNQCLSA-N 0 0 347.419 2.520 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000735301345 1321959849 /nfs/dbraw/zinc/95/98/49/1321959849.db2.gz AUFLVAXSBXASKD-VURMDHGXSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@@H](COc1ccc(F)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001291927504 1322023696 /nfs/dbraw/zinc/02/36/96/1322023696.db2.gz BESWLTOLEJTZGB-KBNZMGLGSA-N 0 0 331.343 2.834 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC001292064160 1322034430 /nfs/dbraw/zinc/03/44/30/1322034430.db2.gz HCIMJFUNNPHXFG-CQSZACIVSA-N 0 0 331.343 2.810 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3ccc(F)c(O)c3)CC2)cc1 ZINC001292594431 1322092019 /nfs/dbraw/zinc/09/20/19/1322092019.db2.gz SQQBKQAANYGYJD-UHFFFAOYSA-N 0 0 344.386 2.939 10 10 EFCERN Cc1cc(CC(=O)N2CCN(C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398366 1322243166 /nfs/dbraw/zinc/24/31/66/1322243166.db2.gz JPYZPODVYDZZDY-MRXNPFEDSA-N 0 0 325.456 2.799 10 10 EFCERN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cccc(O)c1O)C(=O)N2 ZINC001293558645 1322284445 /nfs/dbraw/zinc/28/44/45/1322284445.db2.gz QNCPOWQKKZEXSG-GFCCVEGCSA-N 0 0 340.379 2.516 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1SCCc2ccccc21 ZINC001294121845 1322412960 /nfs/dbraw/zinc/41/29/60/1322412960.db2.gz KQROTGVFGXGIKJ-QGZVFWFLSA-N 0 0 329.421 2.787 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)c2cn[nH]c2)cc1 ZINC001294235675 1322435886 /nfs/dbraw/zinc/43/58/86/1322435886.db2.gz YYCMPMZPRLZSOW-UHFFFAOYSA-N 0 0 336.395 2.835 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2[nH]cnc2C)c1 ZINC001294284381 1322445787 /nfs/dbraw/zinc/44/57/87/1322445787.db2.gz UGZNIIWUYOYUKC-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)c1ccccc1F ZINC001294808640 1322567565 /nfs/dbraw/zinc/56/75/65/1322567565.db2.gz XVEXBNAFGYPRBR-GDBMZVCRSA-N 0 0 333.359 2.787 10 10 EFCERN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294954706 1322608620 /nfs/dbraw/zinc/60/86/20/1322608620.db2.gz WGPIMBJFXIMFNY-HNNXBMFYSA-N 0 0 340.387 2.868 10 10 EFCERN Cc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1[C@H](C)O ZINC001295212762 1322654382 /nfs/dbraw/zinc/65/43/82/1322654382.db2.gz SPVYLPVVKGISQF-NSHDSACASA-N 0 0 341.371 2.536 10 10 EFCERN COc1ccnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001295431372 1322698971 /nfs/dbraw/zinc/69/89/71/1322698971.db2.gz ZVWFKGZFXAVUKX-UHFFFAOYSA-N 0 0 330.365 2.646 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC1CC1 ZINC001295590482 1322729861 /nfs/dbraw/zinc/72/98/61/1322729861.db2.gz JMUTXXSEAFMDFO-UHFFFAOYSA-N 0 0 325.792 2.737 10 10 EFCERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001296245702 1322872728 /nfs/dbraw/zinc/87/27/28/1322872728.db2.gz GOHNAJBTNZYJSG-JTQLQIEISA-N 0 0 348.330 2.815 10 10 EFCERN CCOC(=O)[C@@H](CC)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001296520229 1322936667 /nfs/dbraw/zinc/93/66/67/1322936667.db2.gz MELAEOMUZYUPQZ-CQSZACIVSA-N 0 0 346.387 2.795 10 10 EFCERN COc1ccc(CNC(=O)c2cc3cc(O)ccc3nc2C)c(O)c1 ZINC001296967776 1323066697 /nfs/dbraw/zinc/06/66/97/1323066697.db2.gz GSKQCAVTMHAWJM-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297209656 1323121235 /nfs/dbraw/zinc/12/12/35/1323121235.db2.gz RZKGQTWLQRLPMA-ZDUSSCGKSA-N 0 0 340.387 2.602 10 10 EFCERN CCOCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001297535631 1323260475 /nfs/dbraw/zinc/26/04/75/1323260475.db2.gz RMUGMEVDBMAUGX-UHFFFAOYSA-N 0 0 349.454 2.703 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(CC)[nH]c1=O ZINC001297562410 1323273983 /nfs/dbraw/zinc/27/39/83/1323273983.db2.gz KNASZMGGVJFMCH-UHFFFAOYSA-N 0 0 335.400 2.779 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(C(=O)OC)c1 ZINC001297562591 1323275144 /nfs/dbraw/zinc/27/51/44/1323275144.db2.gz NLKKKVQXWAINLK-UHFFFAOYSA-N 0 0 348.395 2.523 10 10 EFCERN C[C@]12CCN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]1C2(Cl)Cl ZINC001297774370 1323343643 /nfs/dbraw/zinc/34/36/43/1323343643.db2.gz CUMXBBKAEYJTLD-OCCSQVGLSA-N 0 0 330.211 2.683 10 10 EFCERN COc1cccc([C@H]2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)c1 ZINC001297940123 1323387366 /nfs/dbraw/zinc/38/73/66/1323387366.db2.gz RCSZISCSFHJPES-SHTZXODSSA-N 0 0 327.380 2.711 10 10 EFCERN CC[C@H](COCC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298388896 1323510052 /nfs/dbraw/zinc/51/00/52/1323510052.db2.gz PRKIREHZXLGXMM-SNVBAGLBSA-N 0 0 346.309 2.936 10 10 EFCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CCC1 ZINC001298518641 1323560803 /nfs/dbraw/zinc/56/08/03/1323560803.db2.gz KUXXLZIMXIDBPG-CQSZACIVSA-N 0 0 332.404 2.766 10 10 EFCERN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CCC1 ZINC001298518640 1323560891 /nfs/dbraw/zinc/56/08/91/1323560891.db2.gz KUXXLZIMXIDBPG-AWEZNQCLSA-N 0 0 332.404 2.766 10 10 EFCERN Cc1nnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)s1 ZINC001298829278 1323616937 /nfs/dbraw/zinc/61/69/37/1323616937.db2.gz CNZJRDXPCCOZCK-UHFFFAOYSA-N 0 0 336.380 2.809 10 10 EFCERN C[C@@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CCO1 ZINC001298825271 1323617228 /nfs/dbraw/zinc/61/72/28/1323617228.db2.gz URVLZQDZGODUKG-CYBMUJFWSA-N 0 0 342.395 2.504 10 10 EFCERN Cc1cccc2c1C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CO2 ZINC001301279327 1324533928 /nfs/dbraw/zinc/53/39/28/1324533928.db2.gz SRYKTYINCVRGEC-IZPAUZPXSA-N 0 0 325.364 2.539 10 10 EFCERN Cc1ccccc1[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(N)=O ZINC001302532827 1324579911 /nfs/dbraw/zinc/57/99/11/1324579911.db2.gz SABWYLYDFJZAFR-XJKSGUPXSA-N 0 0 341.411 2.678 10 10 EFCERN C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]c1=O)c1ccccc1O ZINC001302538179 1324580161 /nfs/dbraw/zinc/58/01/61/1324580161.db2.gz JHQYKFPEUNGVJI-JTQLQIEISA-N 0 0 326.327 2.864 10 10 EFCERN O=C(c1cc(N2CCOC2=O)ccc1F)N1Cc2cccc(O)c2C1 ZINC001302788005 1324587106 /nfs/dbraw/zinc/58/71/06/1324587106.db2.gz RNGNYYCZKBXYIN-UHFFFAOYSA-N 0 0 342.326 2.644 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc(F)cc(Br)c1 ZINC001303192785 1324596687 /nfs/dbraw/zinc/59/66/87/1324596687.db2.gz ABNKYDYSSBOOMD-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001303193030 1324596753 /nfs/dbraw/zinc/59/67/53/1324596753.db2.gz FDKLJRFDEGESQQ-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(Br)cc1F ZINC001303223295 1324598467 /nfs/dbraw/zinc/59/84/67/1324598467.db2.gz JBBSEPQLZIJCNN-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN COC(=O)/C(C)=C\COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000748164748 1324602903 /nfs/dbraw/zinc/60/29/03/1324602903.db2.gz DGVRDXQTHZQYQO-YVMONPNESA-N 0 0 334.397 2.771 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@]23C[C@H]2COC3)ccc1C ZINC001303733668 1324618670 /nfs/dbraw/zinc/61/86/70/1324618670.db2.gz ARBNBCQGXQIYHQ-PXNSSMCTSA-N 0 0 338.407 2.734 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3c(O)cccc3F)C2)c1 ZINC001303876068 1324623609 /nfs/dbraw/zinc/62/36/09/1324623609.db2.gz UDGQQSSKAVTQLX-GOSISDBHSA-N 0 0 342.370 2.958 10 10 EFCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3c(O)cccc3F)C2)c1 ZINC001303876075 1324624140 /nfs/dbraw/zinc/62/41/40/1324624140.db2.gz UDGQQSSKAVTQLX-SFHVURJKSA-N 0 0 342.370 2.958 10 10 EFCERN Cc1cccc(-n2cc(C(=O)NCc3cccc(Cl)c3O)nn2)c1 ZINC001305069347 1324671573 /nfs/dbraw/zinc/67/15/73/1324671573.db2.gz FFWDFIIYDTVSHV-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001305069353 1324671590 /nfs/dbraw/zinc/67/15/90/1324671590.db2.gz FRKFXEABBYVFMG-UHFFFAOYSA-N 0 0 336.731 2.649 10 10 EFCERN Cc1csc2nc(CC(=O)NCc3cccc(Cl)c3O)cn12 ZINC001305085451 1324672688 /nfs/dbraw/zinc/67/26/88/1324672688.db2.gz ZMNPQBCNCRMYRK-UHFFFAOYSA-N 0 0 335.816 2.922 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001305084994 1324672894 /nfs/dbraw/zinc/67/28/94/1324672894.db2.gz PSENPOVUMGFNEH-UHFFFAOYSA-N 0 0 337.734 2.901 10 10 EFCERN COc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC001305549275 1324685610 /nfs/dbraw/zinc/68/56/10/1324685610.db2.gz UBVAUHAPIHFXCQ-LLVKDONJSA-N 0 0 331.368 2.535 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(F)cn1 ZINC001306080960 1324697556 /nfs/dbraw/zinc/69/75/56/1324697556.db2.gz SOIRLORUZAGZBP-UHFFFAOYSA-N 0 0 341.390 2.765 10 10 EFCERN O=C(NCc1cnccc1C(F)(F)F)c1c(F)ccc(O)c1O ZINC001306879241 1324728807 /nfs/dbraw/zinc/72/88/07/1324728807.db2.gz NMYCCRCDZHLAMA-UHFFFAOYSA-N 0 0 330.237 2.581 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC001306937197 1324734111 /nfs/dbraw/zinc/73/41/11/1324734111.db2.gz KCKJGYCRANNEFL-LBPRGKRZSA-N 0 0 346.387 2.730 10 10 EFCERN CC[C@H](C)C[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)[O-] ZINC000901676067 1324753471 /nfs/dbraw/zinc/75/34/71/1324753471.db2.gz VOXVZQHOSNDSJY-WMLDXEAASA-N 0 0 345.443 2.919 10 10 EFCERN O=C([O-])[C@@H]1CSCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000901890912 1324758980 /nfs/dbraw/zinc/75/89/80/1324758980.db2.gz LTBYSWGPZZQQDJ-INIZCTEOSA-N 0 0 334.485 2.927 10 10 EFCERN COC[C@@]1(C(=O)[O-])CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000901866500 1324759325 /nfs/dbraw/zinc/75/93/25/1324759325.db2.gz WETGWILTMZSMCK-GJEJWFRCSA-N 0 0 332.444 2.579 10 10 EFCERN CCCN(Cc1ccc(N(C)C)c(C)c1)[C@H](COC)C(=O)OCC ZINC001307684888 1324777575 /nfs/dbraw/zinc/77/75/75/1324777575.db2.gz VJFJKZQXNOESAD-GOSISDBHSA-N 0 0 336.476 2.851 10 10 EFCERN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C(=O)[O-])oc3C)C2)cc1 ZINC000902378058 1324779424 /nfs/dbraw/zinc/77/94/24/1324779424.db2.gz KRJYONXHYVOFGB-CQSZACIVSA-N 0 0 344.411 2.911 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1O ZINC001307878740 1324783201 /nfs/dbraw/zinc/78/32/01/1324783201.db2.gz XCQCRGJNPSWATC-OUAUKWLOSA-N 0 0 338.835 2.688 10 10 EFCERN C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903290421 1324830165 /nfs/dbraw/zinc/83/01/65/1324830165.db2.gz WKACXDASVKVNHJ-HIFRSBDPSA-N 0 0 330.384 2.945 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CSC2(C)C)cc1 ZINC001312569214 1324988880 /nfs/dbraw/zinc/98/88/80/1324988880.db2.gz ONRFSBTYRGNABL-HNNXBMFYSA-N 0 0 337.489 2.667 10 10 EFCERN CCC[C@@H](O)CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001312885511 1324998804 /nfs/dbraw/zinc/99/88/04/1324998804.db2.gz QGCORDNVHMNJQY-CRAIPNDOSA-N 0 0 335.492 2.842 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001313208992 1325008646 /nfs/dbraw/zinc/00/86/46/1325008646.db2.gz WMEVJUGYZUHKLL-QGZVFWFLSA-N 0 0 336.395 2.829 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001313208991 1325008678 /nfs/dbraw/zinc/00/86/78/1325008678.db2.gz WMEVJUGYZUHKLL-KRWDZBQOSA-N 0 0 336.395 2.829 10 10 EFCERN CN1CCN(c2ccc(CN[C@@H]3CCCC3(F)F)cc2F)CC1 ZINC001323456860 1329544573 /nfs/dbraw/zinc/54/45/73/1329544573.db2.gz YGGGGPOFQFSVPU-MRXNPFEDSA-N 0 0 327.394 2.855 10 10 EFCERN CC/C=C\CCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324029003 1329592121 /nfs/dbraw/zinc/59/21/21/1329592121.db2.gz FWHYSQAMUCGQEH-BDZSZVBMSA-N 0 0 343.431 2.962 10 10 EFCERN Nc1ccc2c(ncnc2NCc2cc(Br)ccc2O)n1 ZINC001324391200 1329623104 /nfs/dbraw/zinc/62/31/04/1329623104.db2.gz GZJMTVVKWMZXBU-UHFFFAOYSA-N 0 0 346.188 2.687 10 10 EFCERN CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417692 1329625231 /nfs/dbraw/zinc/62/52/31/1329625231.db2.gz OHFOUTYPBNFHNM-CJNGLKHVSA-N 0 0 348.349 2.551 10 10 EFCERN CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417691 1329625400 /nfs/dbraw/zinc/62/54/00/1329625400.db2.gz OHFOUTYPBNFHNM-BBRMVZONSA-N 0 0 348.349 2.551 10 10 EFCERN O=C(NC/C=C\C1CC1)NCc1cc(Br)ccc1O ZINC001324738224 1329655013 /nfs/dbraw/zinc/65/50/13/1329655013.db2.gz WCUGPJVABDDGQK-UPHRSURJSA-N 0 0 325.206 2.920 10 10 EFCERN O=C(COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(O)c(O)c1 ZINC001327240786 1330445990 /nfs/dbraw/zinc/44/59/90/1330445990.db2.gz RGXRAIGRJBXVNB-MXWKQRLJSA-N 0 0 326.295 2.505 10 10 EFCERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCCCSc1nccs1 ZINC001327985964 1330538020 /nfs/dbraw/zinc/53/80/20/1330538020.db2.gz FYACSEZQRPRAGC-LLVKDONJSA-N 0 0 343.518 2.682 10 10 EFCERN C[C@@H](NC(=O)C(=O)NCC1CCC(F)CC1)c1ccc(N(C)C)cc1 ZINC001328300860 1330583356 /nfs/dbraw/zinc/58/33/56/1330583356.db2.gz IZCDJECANLYYAJ-VQCLRJIVSA-N 0 0 349.450 2.574 10 10 EFCERN CCN(Cc1ccccc1C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329404088 1330703581 /nfs/dbraw/zinc/70/35/81/1330703581.db2.gz CWUOXYOJHDGXHX-UHFFFAOYSA-N 0 0 338.407 2.592 10 10 EFCERN O=C(C(=O)N1CCC[C@H]1c1ccsc1)N1Cc2cccc(O)c2C1 ZINC001329404393 1330704022 /nfs/dbraw/zinc/70/40/22/1330704022.db2.gz GZXUIBSYQPWIPM-HNNXBMFYSA-N 0 0 342.420 2.660 10 10 EFCERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001329497272 1330712482 /nfs/dbraw/zinc/71/24/82/1330712482.db2.gz MLUURXYPBMVUGI-JKSUJKDBSA-N 0 0 344.455 2.908 10 10 EFCERN O=C([C@@H]1CCCCN1Cc1ccncc1)N1Cc2cccc(O)c2C1 ZINC001329665554 1330727374 /nfs/dbraw/zinc/72/73/74/1330727374.db2.gz DCCOSTJUIBZPSC-SFHVURJKSA-N 0 0 337.423 2.684 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](C(C)C)C1 ZINC001330922250 1330770659 /nfs/dbraw/zinc/77/06/59/1330770659.db2.gz IRJWXOYNBWHNCE-QGZVFWFLSA-N 0 0 345.487 2.606 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](CCF)C1 ZINC001331270278 1330812918 /nfs/dbraw/zinc/81/29/18/1330812918.db2.gz FFCVIVAETGJIQT-QGZVFWFLSA-N 0 0 335.423 2.557 10 10 EFCERN COC(=O)c1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)nc1 ZINC001331397310 1330832605 /nfs/dbraw/zinc/83/26/05/1330832605.db2.gz SNLWGQQLWBVWJC-UHFFFAOYSA-N 0 0 346.358 2.548 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001331981682 1330900451 /nfs/dbraw/zinc/90/04/51/1330900451.db2.gz IHQLCFHJNKXNPU-QDLOVBKTSA-N 0 0 331.441 2.508 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(C)n1-c1ccccn1 ZINC001332185519 1330936606 /nfs/dbraw/zinc/93/66/06/1330936606.db2.gz AZZHXMDXOUIASF-FUUSMOTLSA-N 0 0 337.423 2.642 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C3CCC2(CO)CC3)cc1 ZINC001333476079 1331152351 /nfs/dbraw/zinc/15/23/51/1331152351.db2.gz OFNOVGYZIUANKQ-UHFFFAOYSA-N 0 0 331.460 2.732 10 10 EFCERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001334176165 1331260957 /nfs/dbraw/zinc/26/09/57/1331260957.db2.gz IKXBFQPUIMLAJX-MWQQHZPXSA-N 0 0 346.446 2.961 10 10 EFCERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)OCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001336818657 1331505196 /nfs/dbraw/zinc/50/51/96/1331505196.db2.gz SGKSAVAEIXZCTJ-WFMXKNRHSA-N 0 0 334.372 2.785 10 10 EFCERN CCOC(=O)C[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001338386215 1331701684 /nfs/dbraw/zinc/70/16/84/1331701684.db2.gz SJFRYIIYAMJQIC-NSHDSACASA-N 0 0 349.408 2.870 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001341025408 1332227854 /nfs/dbraw/zinc/22/78/54/1332227854.db2.gz NJMZXBIYUXXGGE-KBPBESRZSA-N 0 0 347.333 2.785 10 10 EFCERN Cc1cnc(C)nc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001344033508 1332398858 /nfs/dbraw/zinc/39/88/58/1332398858.db2.gz VGUJWOURTGIBIY-UHFFFAOYSA-N 0 0 326.444 2.914 10 10 EFCERN CCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001347542562 1332754219 /nfs/dbraw/zinc/75/42/19/1332754219.db2.gz OEPRSMRMQZXRNW-UHFFFAOYSA-N 0 0 342.395 2.510 10 10 EFCERN CCC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001347558249 1332755595 /nfs/dbraw/zinc/75/55/95/1332755595.db2.gz CCIXPRJFUMVQAR-KBPBESRZSA-N 0 0 333.476 2.871 10 10 EFCERN O=C(N[C@H]1COc2c(F)cc(F)cc2C1)N1Cc2cccc(O)c2C1 ZINC001348044499 1332794759 /nfs/dbraw/zinc/79/47/59/1332794759.db2.gz DBYHWYBGDNJFMM-CYBMUJFWSA-N 0 0 346.333 2.699 10 10 EFCERN CC(C)(C)OC(=O)CC1(C(=O)NCc2cccc(O)c2O)CCC1 ZINC001348047984 1332795156 /nfs/dbraw/zinc/79/51/56/1332795156.db2.gz QQAIPYUMLLUBEM-UHFFFAOYSA-N 0 0 335.400 2.616 10 10 EFCERN CCn1cccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001348541241 1332846547 /nfs/dbraw/zinc/84/65/47/1332846547.db2.gz ZHPXGZINVYAKSO-UHFFFAOYSA-N 0 0 329.469 2.991 10 10 EFCERN O=C(NCc1cc(C(F)F)on1)NCc1ccc(N2CC=CC2)cc1 ZINC001348570231 1332849864 /nfs/dbraw/zinc/84/98/64/1332849864.db2.gz JTACNVGOCWCFQM-UHFFFAOYSA-N 0 0 348.353 2.988 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3CC[C@@]34CCOC4)cc2)CC1 ZINC001348667399 1332857865 /nfs/dbraw/zinc/85/78/65/1332857865.db2.gz WBKVQAKJGUEJNA-FQEVSTJZSA-N 0 0 343.471 2.997 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001348730573 1332863475 /nfs/dbraw/zinc/86/34/75/1332863475.db2.gz ZUYJJEYQKCTDFV-CSNYQSHPSA-N 0 0 339.391 2.621 10 10 EFCERN COc1ccc(COCCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001349076938 1332902735 /nfs/dbraw/zinc/90/27/35/1332902735.db2.gz ASGMKPHVDYKDFM-UHFFFAOYSA-N 0 0 345.395 2.720 10 10 EFCERN CCOc1ccccc1OCCCC(=O)NCc1cccc(O)c1O ZINC001349079238 1332902950 /nfs/dbraw/zinc/90/29/50/1332902950.db2.gz MNHSOJKWQBUXTG-UHFFFAOYSA-N 0 0 345.395 2.972 10 10 EFCERN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CC[C@@H](C)C2)no1 ZINC001349744228 1332993162 /nfs/dbraw/zinc/99/31/62/1332993162.db2.gz LOHFOURSMIQQPC-SNVBAGLBSA-N 0 0 345.428 2.903 10 10 EFCERN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CC2CCC1CC2 ZINC001349759959 1332994193 /nfs/dbraw/zinc/99/41/93/1332994193.db2.gz HRAKAJZEQXKTIN-VXTDNTOSSA-N 0 0 344.455 2.682 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(CO)cc3)C2)cc1 ZINC001350191933 1333046249 /nfs/dbraw/zinc/04/62/49/1333046249.db2.gz JRVUOGISRVBNPP-INIZCTEOSA-N 0 0 341.411 2.588 10 10 EFCERN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)Cn1cccn1 ZINC001350337403 1333066347 /nfs/dbraw/zinc/06/63/47/1333066347.db2.gz CAOYQOCGOVYXOQ-JTQLQIEISA-N 0 0 331.397 2.575 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(CC2CC2)CC1 ZINC001350507355 1333090766 /nfs/dbraw/zinc/09/07/66/1333090766.db2.gz VZSPUVZWRUINKM-UHFFFAOYSA-N 0 0 344.455 2.827 10 10 EFCERN CN(C[C@H]1CCCO1)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350546584 1333095344 /nfs/dbraw/zinc/09/53/44/1333095344.db2.gz DMHALVSLFFMYLM-GFCCVEGCSA-N 0 0 334.445 2.737 10 10 EFCERN CO[C@@H]1CC[C@H]1N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350548213 1333095687 /nfs/dbraw/zinc/09/56/87/1333095687.db2.gz YEIYOQVVVKIANF-DGCLKSJQSA-N 0 0 334.445 2.736 10 10 EFCERN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnn1 ZINC001350629004 1333104770 /nfs/dbraw/zinc/10/47/70/1333104770.db2.gz PHQFHGOTQZXOKY-UHFFFAOYSA-N 0 0 329.315 2.504 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC001350715360 1333119826 /nfs/dbraw/zinc/11/98/26/1333119826.db2.gz GYFKYVULVAEKIA-MAUKXSAKSA-N 0 0 332.444 2.549 10 10 EFCERN CC(=O)N[C@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001351673732 1333267260 /nfs/dbraw/zinc/26/72/60/1333267260.db2.gz NQHOYNIPJZNZEE-FQEVSTJZSA-N 0 0 345.487 2.796 10 10 EFCERN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351817825 1333291578 /nfs/dbraw/zinc/29/15/78/1333291578.db2.gz ZTCJKZYOOZJQHV-LBPRGKRZSA-N 0 0 342.370 2.593 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001352216510 1333429279 /nfs/dbraw/zinc/42/92/79/1333429279.db2.gz WWCIKNWAIJEGNY-UHFFFAOYSA-N 0 0 331.347 2.659 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000847317022 1333536516 /nfs/dbraw/zinc/53/65/16/1333536516.db2.gz OGZYTHSJPMGFKN-IAGOWNOFSA-N 0 0 334.416 2.548 10 10 EFCERN C/C(=C/c1ccncc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847381137 1333632702 /nfs/dbraw/zinc/63/27/02/1333632702.db2.gz DOTVCVLYMKHRLV-PEZBUJJGSA-N 0 0 337.423 2.638 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000847397632 1333659165 /nfs/dbraw/zinc/65/91/65/1333659165.db2.gz SWMULNNJKLAVEE-GOEBONIOSA-N 0 0 334.416 2.548 10 10 EFCERN O=C(NCc1cccc(O)c1O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001352670349 1333661458 /nfs/dbraw/zinc/66/14/58/1333661458.db2.gz OAULXSNKALHDGB-UHOFOFEASA-N 0 0 329.783 2.953 10 10 EFCERN Cc1ccc(C(N)=O)c(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001300095116 1333686410 /nfs/dbraw/zinc/68/64/10/1333686410.db2.gz JKUAXMOUUIMTRP-UHFFFAOYSA-N 0 0 342.376 2.972 10 10 EFCERN COc1cccc(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)c1O ZINC000847449849 1333735083 /nfs/dbraw/zinc/73/50/83/1333735083.db2.gz YEUIZIPNSFEOPI-CQSZACIVSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000847451678 1333739167 /nfs/dbraw/zinc/73/91/67/1333739167.db2.gz MBSHYMOGAXBYJD-OAHLLOKOSA-N 0 0 334.416 2.692 10 10 EFCERN COC(=O)COc1ccc(N(C)CCOC2CCSCC2)cc1 ZINC001354595467 1334396389 /nfs/dbraw/zinc/39/63/89/1334396389.db2.gz UWSMOKVTBBFJSB-UHFFFAOYSA-N 0 0 339.457 2.587 10 10 EFCERN CO[C@](C)(CO)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000848263123 1334536207 /nfs/dbraw/zinc/53/62/07/1334536207.db2.gz PLMSSRNNPXPEDV-IBGZPJMESA-N 0 0 330.428 2.530 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1O ZINC000848347945 1334680242 /nfs/dbraw/zinc/68/02/42/1334680242.db2.gz VILIOEBLGKPBMC-KOLCDFICSA-N 0 0 333.306 2.636 10 10 EFCERN COC(=O)c1cc2ccccc2c(CN(C)Cc2nc(C)no2)c1O ZINC000848503550 1334762000 /nfs/dbraw/zinc/76/20/00/1334762000.db2.gz HXDPFROAGJTJRR-UHFFFAOYSA-N 0 0 341.367 2.655 10 10 EFCERN CN(Cc1cnc(Cl)n1C)Cc1ccc(N2CCOCC2)cc1 ZINC000848881838 1334958065 /nfs/dbraw/zinc/95/80/65/1334958065.db2.gz ZVFLADAAGXQAJQ-UHFFFAOYSA-N 0 0 334.851 2.542 10 10 EFCERN CCc1cccc(CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1O ZINC000848919709 1334986181 /nfs/dbraw/zinc/98/61/81/1334986181.db2.gz QPQNQRYIRSXFBQ-INIZCTEOSA-N 0 0 345.443 2.861 10 10 EFCERN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001356266636 1335005355 /nfs/dbraw/zinc/00/53/55/1335005355.db2.gz LMBSJUPHKBPRID-DLBZAZTESA-N 0 0 344.455 2.835 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2[nH]c(C)nc21 ZINC000935945687 1335464680 /nfs/dbraw/zinc/46/46/80/1335464680.db2.gz GXWLAJZTTLYPGB-UHFFFAOYSA-N 0 0 330.384 2.993 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(=O)Nc1c(C)cccc1C ZINC000935947878 1335465026 /nfs/dbraw/zinc/46/50/26/1335465026.db2.gz GDDVCUYXEJIKEE-UHFFFAOYSA-N 0 0 347.411 2.750 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc2c(c1)COC2 ZINC000935947727 1335465056 /nfs/dbraw/zinc/46/50/56/1335465056.db2.gz CWHAHYPNVXWJSP-UHFFFAOYSA-N 0 0 332.396 2.767 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccs3)C2)cc1 ZINC000849224670 1335571683 /nfs/dbraw/zinc/57/16/83/1335571683.db2.gz IHEAFFRXQROWOD-ZDUSSCGKSA-N 0 0 331.441 2.835 10 10 EFCERN O=C1/C(=C/c2cn(C3CCC3)nn2)SC(=S)N1c1cccnc1 ZINC000849241939 1335575268 /nfs/dbraw/zinc/57/52/68/1335575268.db2.gz QYRPSSOTTGECOC-QPEQYQDCSA-N 0 0 343.437 2.804 10 10 EFCERN COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CC(C)(C)C)C3=O)C2)cc1 ZINC000849356583 1335597642 /nfs/dbraw/zinc/59/76/42/1335597642.db2.gz FMHQUPZIEULURN-ZBFHGGJFSA-N 0 0 345.443 2.631 10 10 EFCERN CCCCC[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849357755 1335597913 /nfs/dbraw/zinc/59/79/13/1335597913.db2.gz PJGLSJCLSRWDBP-WBVHZDCISA-N 0 0 345.443 2.775 10 10 EFCERN CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCOC1 ZINC000849678912 1335693516 /nfs/dbraw/zinc/69/35/16/1335693516.db2.gz BITNJQJZKOGWEZ-NVXWUHKLSA-N 0 0 344.411 2.697 10 10 EFCERN Cc1nnc(N2C[C@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001361095781 1335954872 /nfs/dbraw/zinc/95/48/72/1335954872.db2.gz OXIKUMZNWYMZFD-SJLPKXTDSA-N 0 0 325.460 2.998 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCOCC1 ZINC001492781499 1352947915 /nfs/dbraw/zinc/94/79/15/1352947915.db2.gz AKTJMMKBHJNTGQ-UHFFFAOYSA-N 0 0 330.432 2.745 10 10 EFCERN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2[O-])[NH+](C)C)cc1 ZINC001439959023 1389370129 /nfs/dbraw/zinc/37/01/29/1389370129.db2.gz BELKDIPHBJBQMF-QGZVFWFLSA-N 0 0 345.418 2.630 10 10 EFCERN COc1nsc(OC)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001441190958 1391170554 /nfs/dbraw/zinc/17/05/54/1391170554.db2.gz WCVDVRRTMOVGJV-UHFFFAOYSA-N 0 0 347.440 2.691 10 10 EFCERN Cc1ccccc1[C@@H](CC(=O)N[C@H](C)c1ccccc1O)NC(N)=O ZINC001454799027 1394236680 /nfs/dbraw/zinc/23/66/80/1394236680.db2.gz SABWYLYDFJZAFR-CZUORRHYSA-N 0 0 341.411 2.678 10 10 EFCERN C[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccccc1O ZINC001454815402 1394261563 /nfs/dbraw/zinc/26/15/63/1394261563.db2.gz FCTMWYFABIQNEW-LBPRGKRZSA-N 0 0 335.363 2.837 10 10 EFCERN CCOC(=O)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001454826009 1394275314 /nfs/dbraw/zinc/27/53/14/1394275314.db2.gz SRQDXPUZWRJMMS-GUYCJALGSA-N 0 0 327.380 2.916 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(Br)c(F)c1 ZINC001455357035 1394593987 /nfs/dbraw/zinc/59/39/87/1394593987.db2.gz MRVXZFIFUBGTAD-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cnccn1 ZINC001457188007 1395025856 /nfs/dbraw/zinc/02/58/56/1395025856.db2.gz XUWPOESCDJQDGZ-UHFFFAOYSA-N 0 0 334.379 2.627 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(=O)c3ccccc23)c1 ZINC001457615093 1395248742 /nfs/dbraw/zinc/24/87/42/1395248742.db2.gz NATAGGHFLLXKJL-LLVKDONJSA-N 0 0 339.347 2.998 10 10 EFCERN C[C@H](CC(N)=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458382496 1395456924 /nfs/dbraw/zinc/45/69/24/1395456924.db2.gz BTHHSFFKAGZSMN-LLVKDONJSA-N 0 0 327.340 2.502 10 10 EFCERN C/C(=C/C(=O)N(C)c1cccc(Br)n1)c1cnccn1 ZINC001459302595 1395792330 /nfs/dbraw/zinc/79/23/30/1395792330.db2.gz ZHHNRERZARXWHU-NTMALXAHSA-N 0 0 333.189 2.700 10 10 EFCERN CCN(C)c1ccc(CN(C)[C@H](COC2CCC2)C(=O)OC)cc1 ZINC001459769189 1395980884 /nfs/dbraw/zinc/98/08/84/1395980884.db2.gz FUFLCCPHNLYRJO-GOSISDBHSA-N 0 0 334.460 2.685 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001460334492 1396026410 /nfs/dbraw/zinc/02/64/10/1396026410.db2.gz GMGYFIRAJYGVQU-UHFFFAOYSA-N 0 0 345.355 2.687 10 10 EFCERN COc1cc(OC)c(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001463595489 1396506027 /nfs/dbraw/zinc/50/60/27/1396506027.db2.gz JAEACUWHFKZALO-UHFFFAOYSA-N 0 0 337.759 2.950 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3n2C)cc1 ZINC001463722822 1396516118 /nfs/dbraw/zinc/51/61/18/1396516118.db2.gz HJKFLUCNYFMFCK-UHFFFAOYSA-N 0 0 335.407 2.535 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001463773298 1396519868 /nfs/dbraw/zinc/51/98/68/1396519868.db2.gz AWGCSYZOPLTSRD-QGZVFWFLSA-N 0 0 335.467 2.925 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(O)cc1O ZINC001463814789 1396523058 /nfs/dbraw/zinc/52/30/58/1396523058.db2.gz SOVBRRDLCJWJQX-UHFFFAOYSA-N 0 0 326.396 2.970 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cc(F)ccc3N)CC2)cc1 ZINC001464708537 1396597191 /nfs/dbraw/zinc/59/71/91/1396597191.db2.gz YGNIKDXAKDDHDP-UHFFFAOYSA-N 0 0 343.402 2.815 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)cc1 ZINC001464711938 1396597503 /nfs/dbraw/zinc/59/75/03/1396597503.db2.gz XIRJXPNYQMPWTM-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3ccnc(CO)c3)cc2)CC1 ZINC001464984432 1396637170 /nfs/dbraw/zinc/63/71/70/1396637170.db2.gz OMVQTTJEDHKAFI-UHFFFAOYSA-N 0 0 339.439 2.740 10 10 EFCERN O=C(C1=C[S@@](=O)CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC001465841483 1396715452 /nfs/dbraw/zinc/71/54/52/1396715452.db2.gz ZPPFHMVQPJCUPO-DEOSSOPVSA-N 0 0 345.420 2.940 10 10 EFCERN CCn1c(=O)[nH]c2ccc(C(=O)N(C)Cc3ccccc3O)cc21 ZINC001465843248 1396715464 /nfs/dbraw/zinc/71/54/64/1396715464.db2.gz XYYLVUKPABYELP-UHFFFAOYSA-N 0 0 325.368 2.740 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)c(C=O)cc2F)c1 ZINC001465992699 1396728616 /nfs/dbraw/zinc/72/86/16/1396728616.db2.gz KYQYXWNHQRSFGC-SECBINFHSA-N 0 0 335.306 2.983 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001465991862 1396728816 /nfs/dbraw/zinc/72/88/16/1396728816.db2.gz GOUAENNOPQIQIU-SNVBAGLBSA-N 0 0 348.330 2.868 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc3nsnc32)c1 ZINC001465993529 1396730004 /nfs/dbraw/zinc/73/00/04/1396730004.db2.gz RTXRXBMBYUWJGQ-JTQLQIEISA-N 0 0 343.408 2.825 10 10 EFCERN CC(=O)c1nc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc1C ZINC001466606446 1396764311 /nfs/dbraw/zinc/76/43/11/1396764311.db2.gz ITQHTVLXCUFFDP-MRVPVSSYSA-N 0 0 349.412 2.818 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001466790079 1396785409 /nfs/dbraw/zinc/78/54/09/1396785409.db2.gz BIDXHSLKUODSLS-WFJJYUMRSA-N 0 0 329.318 2.878 10 10 EFCERN C[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1 ZINC001467259115 1396830990 /nfs/dbraw/zinc/83/09/90/1396830990.db2.gz DBFCKGQBHVTYDN-VIFPVBQESA-N 0 0 326.322 2.986 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1 ZINC001468636372 1396974935 /nfs/dbraw/zinc/97/49/35/1396974935.db2.gz KYWIGBKAGHAQLA-UHFFFAOYSA-N 0 0 337.339 2.963 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)c(O)c1 ZINC001469161239 1397006424 /nfs/dbraw/zinc/00/64/24/1397006424.db2.gz ILAICPYXDLXQJS-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN CC1(C)Cc2cccc(OCC(=O)NCc3ccc(O)cc3O)c2O1 ZINC001469153384 1397006702 /nfs/dbraw/zinc/00/67/02/1397006702.db2.gz SMZKAJHPWGFOOL-UHFFFAOYSA-N 0 0 343.379 2.507 10 10 EFCERN Cc1ccnc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001469170232 1397008835 /nfs/dbraw/zinc/00/88/35/1397008835.db2.gz JGUJTYMDXRBJOJ-VIFPVBQESA-N 0 0 329.381 2.902 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccnc(OC(F)F)c1 ZINC001469247531 1397015010 /nfs/dbraw/zinc/01/50/10/1397015010.db2.gz BMAUGHOMYHMELI-UHFFFAOYSA-N 0 0 345.305 2.867 10 10 EFCERN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(Cl)n1 ZINC001469249769 1397015953 /nfs/dbraw/zinc/01/59/53/1397015953.db2.gz PFCNOBZSGKXVQJ-UHFFFAOYSA-N 0 0 343.770 2.927 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2nsnc2c1 ZINC001469250705 1397016215 /nfs/dbraw/zinc/01/62/15/1397016215.db2.gz SZBLJHAVTQZHET-UHFFFAOYSA-N 0 0 336.376 2.875 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001469576463 1397040241 /nfs/dbraw/zinc/04/02/41/1397040241.db2.gz OVZHWELPIMMGTQ-MRXNPFEDSA-N 0 0 348.443 3.000 10 10 EFCERN Cc1cc(CCNC(=O)c2cn[nH]c(=O)c2)c(C)n1-c1ccccc1 ZINC001470849987 1397126826 /nfs/dbraw/zinc/12/68/26/1397126826.db2.gz OUQFDLMZNSEKJG-UHFFFAOYSA-N 0 0 336.395 2.562 10 10 EFCERN C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1O ZINC001471194150 1397149392 /nfs/dbraw/zinc/14/93/92/1397149392.db2.gz DQCQYFZVAMDUOG-HZMBPMFUSA-N 0 0 328.343 2.835 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)c1ccccc1O ZINC001471195893 1397149855 /nfs/dbraw/zinc/14/98/55/1397149855.db2.gz QCTPMFBRNUQFTI-YGRLFVJLSA-N 0 0 328.343 2.520 10 10 EFCERN COc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2O)cc1C=O ZINC001471196360 1397149991 /nfs/dbraw/zinc/14/99/91/1397149991.db2.gz ZGMXETRYLMMADS-LLVKDONJSA-N 0 0 329.352 2.713 10 10 EFCERN C[C@@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC001471195883 1397149996 /nfs/dbraw/zinc/14/99/96/1397149996.db2.gz PQDKBSLRFISOQV-ZVTBTPLYSA-N 0 0 338.363 2.614 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001471255167 1397154323 /nfs/dbraw/zinc/15/43/23/1397154323.db2.gz HKSZKOVSTDRVLF-UHFFFAOYSA-N 0 0 327.340 2.581 10 10 EFCERN O=C(c1ccc2c(c1)SCC(=O)N2)N1Cc2cccc(O)c2C1 ZINC001471355875 1397164153 /nfs/dbraw/zinc/16/41/53/1397164153.db2.gz YOMWLCYVRXFLPO-UHFFFAOYSA-N 0 0 326.377 2.592 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001471661724 1397194711 /nfs/dbraw/zinc/19/47/11/1397194711.db2.gz ZWSVYFQVBRQEDU-MEDUHNTESA-N 0 0 340.379 2.622 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccc(C)cc1 ZINC001471661336 1397194777 /nfs/dbraw/zinc/19/47/77/1397194777.db2.gz NRHYXRJXYNDHIA-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c(O)cccc2F)c1 ZINC001471975378 1397229904 /nfs/dbraw/zinc/22/99/04/1397229904.db2.gz XNJJXECSKOBAPU-UHFFFAOYSA-N 0 0 348.330 2.833 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC(c2cccnc2)=NO1 ZINC001472084919 1397244795 /nfs/dbraw/zinc/24/47/95/1397244795.db2.gz HFPXUBISBKFIKO-LJQANCHMSA-N 0 0 347.374 2.750 10 10 EFCERN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C1=CCOCC1 ZINC001472375771 1397257683 /nfs/dbraw/zinc/25/76/83/1397257683.db2.gz KHKLGSDSFGGZIS-UHFFFAOYSA-N 0 0 330.388 2.952 10 10 EFCERN Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472727020 1397268160 /nfs/dbraw/zinc/26/81/60/1397268160.db2.gz RJPMJXSWKPXJIM-UHFFFAOYSA-N 0 0 349.350 2.810 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1Cc2ccccc2O1 ZINC001478646994 1397586582 /nfs/dbraw/zinc/58/65/82/1397586582.db2.gz ZCJRRASYDIOECO-AWEZNQCLSA-N 0 0 332.787 2.849 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001479304106 1397674007 /nfs/dbraw/zinc/67/40/07/1397674007.db2.gz BDPZNTBQULZDMM-CZUORRHYSA-N 0 0 334.322 2.802 10 10 EFCERN C[C@@H]1C[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001493356953 1398637438 /nfs/dbraw/zinc/63/74/38/1398637438.db2.gz RMGDHLUXHJFHFW-FVQBIDKESA-N 0 0 342.443 2.780 10 10 EFCERN CC/C=C/CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494515958 1399358266 /nfs/dbraw/zinc/35/82/66/1399358266.db2.gz WVDAHSZIARPONN-XZFMURBMSA-N 0 0 329.404 2.619 10 10 EFCERN CCCC(=O)N(CCC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497278067 1401265983 /nfs/dbraw/zinc/26/59/83/1401265983.db2.gz UKMFMCYAZJXAPK-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCOC1 ZINC001498676418 1402237412 /nfs/dbraw/zinc/23/74/12/1402237412.db2.gz XPIKXQUXDCFVMP-CQSZACIVSA-N 0 0 330.432 2.609 10 10 EFCERN CCCCC(=O)N[C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499162170 1402503977 /nfs/dbraw/zinc/50/39/77/1402503977.db2.gz ALOCZXPWUZBBOR-ZDUSSCGKSA-N 0 0 347.419 2.664 10 10 EFCERN COC[C@H](F)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001504608264 1404520516 /nfs/dbraw/zinc/52/05/16/1404520516.db2.gz MIMVWGPDTGTFBT-OAHLLOKOSA-N 0 0 348.422 2.557 10 10 EFCERN CC[C@](C)(O)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001512649787 1413514411 /nfs/dbraw/zinc/51/44/11/1413514411.db2.gz RKWXBXRYQNTWNV-SFHVURJKSA-N 0 0 332.448 2.905 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CCC(C)(C)O ZINC001554175605 1415012864 /nfs/dbraw/zinc/01/28/64/1415012864.db2.gz PSRQSHGKJLHGDS-UHFFFAOYSA-N 0 0 344.459 2.734 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC001556158159 1415056470 /nfs/dbraw/zinc/05/64/70/1415056470.db2.gz TWSCDBBNRCDVJI-BUUCAEBMSA-N 0 0 325.364 2.671 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1Cc2cccc(Br)c2C1 ZINC001556280721 1415061585 /nfs/dbraw/zinc/06/15/85/1415061585.db2.gz RACODRGXPKHKAI-UHFFFAOYSA-N 0 0 348.196 2.945 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001556354864 1415065250 /nfs/dbraw/zinc/06/52/50/1415065250.db2.gz XBWXQZTWYBBKJA-JKSUJKDBSA-N 0 0 342.351 2.729 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001556354458 1415065541 /nfs/dbraw/zinc/06/55/41/1415065541.db2.gz KOFWLXBJXXIIGO-QWHCGFSZSA-N 0 0 349.427 2.775 10 10 EFCERN COc1ccc(CNC(=O)C(F)(F)c2ccccc2OC)c(O)c1 ZINC001556354158 1415065579 /nfs/dbraw/zinc/06/55/79/1415065579.db2.gz AFTVJXYGBUEGDF-UHFFFAOYSA-N 0 0 337.322 2.818 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1ccncc1 ZINC001556515492 1415073728 /nfs/dbraw/zinc/07/37/28/1415073728.db2.gz AMNZXJJKRRCYIM-UHFFFAOYSA-N 0 0 343.383 2.593 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556515574 1415073857 /nfs/dbraw/zinc/07/38/57/1415073857.db2.gz DOBWWQDEOCUBNW-UHFFFAOYSA-N 0 0 347.371 2.970 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(C(=O)OC)c1 ZINC001556515971 1415074066 /nfs/dbraw/zinc/07/40/66/1415074066.db2.gz URCLCEOPFQSBOM-UHFFFAOYSA-N 0 0 348.395 2.903 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(=O)[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC001556718552 1415084378 /nfs/dbraw/zinc/08/43/78/1415084378.db2.gz YZSYIOQYNSKCKN-UHFFFAOYSA-N 0 0 340.358 2.659 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOc2ccncc21 ZINC001556757232 1415086923 /nfs/dbraw/zinc/08/69/23/1415086923.db2.gz OIIRCWNZPOFFGE-UHFFFAOYSA-N 0 0 328.349 2.747 10 10 EFCERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(O)cc1O ZINC001557084509 1415103897 /nfs/dbraw/zinc/10/38/97/1415103897.db2.gz CBYUVBYGPREVFB-UHFFFAOYSA-N 0 0 330.340 2.861 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(Br)cc1F ZINC001557084828 1415103901 /nfs/dbraw/zinc/10/39/01/1415103901.db2.gz PVLDFVQPHVYPDK-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN COc1ccn2c(c1)ncc2C(=O)NCc1ccc2cccnc2c1O ZINC001557121981 1415106154 /nfs/dbraw/zinc/10/61/54/1415106154.db2.gz DZVPWVVXIYIGMB-UHFFFAOYSA-N 0 0 348.362 2.527 10 10 EFCERN Cc1cnnn1-c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001557179290 1415110616 /nfs/dbraw/zinc/11/06/16/1415110616.db2.gz BVIVABPZPXUCJH-UHFFFAOYSA-N 0 0 349.354 2.990 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCn3nccc3C2)c1 ZINC001557585797 1415132610 /nfs/dbraw/zinc/13/26/10/1415132610.db2.gz IFZCPVIDXQNZLF-UHFFFAOYSA-N 0 0 348.406 2.759 10 10 EFCERN C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccccc1O ZINC001557967013 1415153241 /nfs/dbraw/zinc/15/32/41/1415153241.db2.gz UCGJNECFRLNEQF-GFCCVEGCSA-N 0 0 338.367 2.647 10 10 EFCERN CC(C)n1c(=O)[nH]c2ccc(C(=O)NCc3cccc(O)c3O)cc21 ZINC001558161438 1415163269 /nfs/dbraw/zinc/16/32/69/1415163269.db2.gz NNKYTXCOMTZQOB-UHFFFAOYSA-N 0 0 341.367 2.664 10 10 EFCERN COc1ccc(OCCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001558174622 1415163880 /nfs/dbraw/zinc/16/38/80/1415163880.db2.gz RARHWFNXJJFVNA-UHFFFAOYSA-N 0 0 331.368 2.582 10 10 EFCERN Cn1cnc2cc(CNC(=O)c3ccc(N=NC(N)=O)cc3)ccc21 ZINC001558391350 1415178036 /nfs/dbraw/zinc/17/80/36/1415178036.db2.gz VDOOHSYKRZPZPE-UHFFFAOYSA-N 0 0 336.355 2.666 10 10 EFCERN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)NCc1c(O)cccc1O ZINC001558535674 1415187297 /nfs/dbraw/zinc/18/72/97/1415187297.db2.gz NJSAFPBEHZPUOM-NOZJJQNGSA-N 0 0 333.306 2.604 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc(Cn2ccnn2)o1 ZINC001558554067 1415188410 /nfs/dbraw/zinc/18/84/10/1415188410.db2.gz CZJXNQBEDPTOFU-UHFFFAOYSA-N 0 0 348.362 2.708 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCc2ncncc2C1 ZINC001558554480 1415188570 /nfs/dbraw/zinc/18/85/70/1415188570.db2.gz RMRYCBMRUBDEPV-AWEZNQCLSA-N 0 0 333.391 2.757 10 10 EFCERN Cc1noc(CCCC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001558553850 1415188573 /nfs/dbraw/zinc/18/85/73/1415188573.db2.gz CSPCIKJWOYAJBL-UHFFFAOYSA-N 0 0 325.368 2.876 10 10 EFCERN Cn1nnc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C(F)F ZINC001558692760 1415196212 /nfs/dbraw/zinc/19/62/12/1415196212.db2.gz FQJLAERHUXXCBC-UHFFFAOYSA-N 0 0 340.311 2.631 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-n2cnnc2)cc1 ZINC001558757180 1415199334 /nfs/dbraw/zinc/19/93/34/1415199334.db2.gz SLIJHZNCUFPIBT-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN C[C@H]1Oc2c(cccc2C(=O)NCc2cccc(Cl)c2O)NC1=O ZINC001558756756 1415199344 /nfs/dbraw/zinc/19/93/44/1415199344.db2.gz ADZVLLRKVVPCPH-SECBINFHSA-N 0 0 346.770 2.695 10 10 EFCERN CC(C)C(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001558757127 1415199566 /nfs/dbraw/zinc/19/95/66/1415199566.db2.gz QFEJBZDWIMDAKY-UHFFFAOYSA-N 0 0 347.802 2.965 10 10 EFCERN COC(=O)c1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)o1 ZINC001558757985 1415199777 /nfs/dbraw/zinc/19/97/77/1415199777.db2.gz ZGPITYLNDLBASL-SOFGYWHQSA-N 0 0 335.743 2.755 10 10 EFCERN Cc1n[nH]c(C(=O)NCc2cccc(Cl)c2O)c1Br ZINC001558756894 1415199876 /nfs/dbraw/zinc/19/98/76/1415199876.db2.gz GRWPNNJDEQLWDO-UHFFFAOYSA-N 0 0 344.596 2.770 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001559163047 1415227346 /nfs/dbraw/zinc/22/73/46/1415227346.db2.gz HDGMUEZZBGXMER-VIFPVBQESA-N 0 0 328.328 2.925 10 10 EFCERN COC(=O)c1cnc(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001559198378 1415229319 /nfs/dbraw/zinc/22/93/19/1415229319.db2.gz MSVXADXWEREWGB-UHFFFAOYSA-N 0 0 336.354 2.865 10 10 EFCERN Cc1cc(CCNc2cc(C(N)=O)ncn2)c(C)n1-c1ccccc1 ZINC001559250746 1415233427 /nfs/dbraw/zinc/23/34/27/1415233427.db2.gz KKACBLJAKKACII-UHFFFAOYSA-N 0 0 335.411 2.638 10 10 EFCERN Cc1cc(C(=O)Cn2cncc(F)c2=O)c(C)n1-c1ccc(C)cc1 ZINC001559413533 1415244253 /nfs/dbraw/zinc/24/42/53/1415244253.db2.gz NLXVQCSYQWCHQB-UHFFFAOYSA-N 0 0 339.370 2.981 10 10 EFCERN CCC[C@@H](C(=O)OCC)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667173 1415252519 /nfs/dbraw/zinc/25/25/19/1415252519.db2.gz MSPXTNAXZQDWDI-SFHVURJKSA-N 0 0 334.460 2.939 10 10 EFCERN COc1ccc(N(C)CCN(C)CC(=O)NCCC(C)(C)C)cc1 ZINC001559967030 1415260192 /nfs/dbraw/zinc/26/01/92/1415260192.db2.gz RMCZQHFRGQFBBX-UHFFFAOYSA-N 0 0 335.492 2.616 10 10 EFCERN COc1ccc(N2CCN(CCOCCC(C)C)CC2)c(OC)c1 ZINC001560082351 1415262504 /nfs/dbraw/zinc/26/25/04/1415262504.db2.gz AXIBHRWBENCZFX-UHFFFAOYSA-N 0 0 336.476 2.889 10 10 EFCERN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001565813765 1415417499 /nfs/dbraw/zinc/41/74/99/1415417499.db2.gz FUUHLSKMLHMTJU-CYBMUJFWSA-N 0 0 342.359 2.908 10 10 EFCERN CC(=O)Nc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566133997 1415531342 /nfs/dbraw/zinc/53/13/42/1415531342.db2.gz FUSBMTGYWXXQFH-UHFFFAOYSA-N 0 0 339.355 2.737 10 10 EFCERN CN1CCCN(C(=O)Cc2ccc(O)c(O)c2)c2ccc(F)cc21 ZINC001566197107 1415534527 /nfs/dbraw/zinc/53/45/27/1415534527.db2.gz DWFGNOOXQJOORR-UHFFFAOYSA-N 0 0 330.359 2.653 10 10 EFCERN CN(Cc1ccccc1O)C(=O)CCn1sc2ccccc2c1=O ZINC001566304481 1415539442 /nfs/dbraw/zinc/53/94/42/1415539442.db2.gz ILTPYNRPUSPQSR-UHFFFAOYSA-N 0 0 342.420 2.817 10 10 EFCERN CCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3O)ccc21 ZINC001566304242 1415539469 /nfs/dbraw/zinc/53/94/69/1415539469.db2.gz YMKQMAJRFNSTMF-UHFFFAOYSA-N 0 0 325.368 2.740 10 10 EFCERN CC(C)(C)c1ccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001566311427 1415539539 /nfs/dbraw/zinc/53/95/39/1415539539.db2.gz KFIATIFUFWZCBW-GOSISDBHSA-N 0 0 343.423 2.788 10 10 EFCERN COc1cccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1O ZINC001566374263 1415544100 /nfs/dbraw/zinc/54/41/00/1415544100.db2.gz AWTOAPMIVDRVLX-UHFFFAOYSA-N 0 0 348.330 2.697 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)c1 ZINC001566374278 1415544182 /nfs/dbraw/zinc/54/41/82/1415544182.db2.gz BHDYFTNUDSVYCE-ZETCQYMHSA-N 0 0 329.278 2.634 10 10 EFCERN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566871226 1415812448 /nfs/dbraw/zinc/81/24/48/1415812448.db2.gz WVVCWEXEQZJOKG-VOJFVSQTSA-N 0 0 333.359 2.672 10 10 EFCERN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566871224 1415812684 /nfs/dbraw/zinc/81/26/84/1415812684.db2.gz WVVCWEXEQZJOKG-ADLMAVQZSA-N 0 0 333.359 2.672 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCC3(C2)OCCO3)c(C)n1-c1ccccn1 ZINC001566944270 1415861587 /nfs/dbraw/zinc/86/15/87/1415861587.db2.gz BHFQVAWQJSHVBL-OAHLLOKOSA-N 0 0 341.411 2.515 10 10 EFCERN O=C(N[C@H](CO)Cc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001567343269 1416083335 /nfs/dbraw/zinc/08/33/35/1416083335.db2.gz NACUVUXSOHDLSP-ZDUSSCGKSA-N 0 0 343.404 2.646 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1 ZINC001567374970 1416102297 /nfs/dbraw/zinc/10/22/97/1416102297.db2.gz RHAPXZLFLDRLDA-AWEZNQCLSA-N 0 0 340.339 2.917 10 10 EFCERN CC[C@]1(O)CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001683424558 1416680969 /nfs/dbraw/zinc/68/09/69/1416680969.db2.gz FMBDQPAEYJYJDJ-JXFKEZNVSA-N 0 0 347.503 2.939 10 10 EFCERN O=C(NCCN1CCc2ccccc21)NCc1cccc(Cl)c1O ZINC001683968825 1416690189 /nfs/dbraw/zinc/69/01/89/1416690189.db2.gz STQMRCJZECZEHC-UHFFFAOYSA-N 0 0 345.830 2.908 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCCc1c(F)cc(O)cc1F ZINC001684338141 1416718167 /nfs/dbraw/zinc/71/81/67/1416718167.db2.gz STAKCTAJJPHKKN-UHFFFAOYSA-N 0 0 336.338 2.760 10 10 EFCERN Cc1cc(CNC(=O)NCc2ncccn2)c(C)n1-c1ccccc1 ZINC001684483719 1416721725 /nfs/dbraw/zinc/72/17/25/1416721725.db2.gz XMSBLLPQXVOQFY-UHFFFAOYSA-N 0 0 335.411 2.884 10 10 EFCERN Cc1cc(CNC(=O)NCC(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC001684600701 1416723653 /nfs/dbraw/zinc/72/36/53/1416723653.db2.gz XJSGOBTXCIBUKO-UHFFFAOYSA-N 0 0 329.444 2.973 10 10 EFCERN CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3cc(C)ccc3O)C2)n1 ZINC001687745021 1416872147 /nfs/dbraw/zinc/87/21/47/1416872147.db2.gz BRNBSSDOMFPQBJ-TZMCWYRMSA-N 0 0 344.415 2.782 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2cc3ccccc3[nH]c2=O)c1 ZINC001687871365 1416889893 /nfs/dbraw/zinc/88/98/93/1416889893.db2.gz QXPKQZDCPAPQRB-UHFFFAOYSA-N 0 0 337.379 2.954 10 10 EFCERN COC(C)(C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001711496185 1418261928 /nfs/dbraw/zinc/26/19/28/1418261928.db2.gz FKGNKALVFDRWFJ-UHFFFAOYSA-N 0 0 344.459 2.998 10 10 EFCERN COc1ccc(N2CCCN(c3nnc(C)n3C3CC3)CC2)cc1 ZINC001730181962 1426329786 /nfs/dbraw/zinc/32/97/86/1426329786.db2.gz XFDVUZDDURDGRO-UHFFFAOYSA-N 0 0 327.432 2.647 10 10 EFCERN C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC2(CCC2)C1 ZINC000924288429 712962867 /nfs/dbraw/zinc/96/28/67/712962867.db2.gz RORRVIVKQICELG-MJICGBHWSA-N 0 0 331.412 2.967 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000804707893 713439953 /nfs/dbraw/zinc/43/99/53/713439953.db2.gz IGDQNXQFDAJKDJ-LOWQCSRCSA-N 0 0 348.399 2.912 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccncc1F ZINC000804733347 713454578 /nfs/dbraw/zinc/45/45/78/713454578.db2.gz PAHKSXBMKFSFIS-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN O=C(CCc1cccnc1)NCc1cc(Br)ccc1O ZINC000804733895 713454841 /nfs/dbraw/zinc/45/48/41/713454841.db2.gz QPYLZGSUZZNHER-UHFFFAOYSA-N 0 0 335.201 2.799 10 10 EFCERN CCc1nc(C(=O)NCc2cc(Br)ccc2O)co1 ZINC000804733590 713454905 /nfs/dbraw/zinc/45/49/05/713454905.db2.gz VCXQMCKJSKMQCG-UHFFFAOYSA-N 0 0 325.162 2.635 10 10 EFCERN COCCC1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804735586 713455290 /nfs/dbraw/zinc/45/52/90/713455290.db2.gz AHFSEBRBQOSONR-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc2n[nH]cc21 ZINC000804734026 713455451 /nfs/dbraw/zinc/45/54/51/713455451.db2.gz AAVPQOKMPBIJLZ-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(C[C@@H]1CCCCO1)NCc1cc(Br)ccc1O ZINC000804734572 713455646 /nfs/dbraw/zinc/45/56/46/713455646.db2.gz REJRUYQKBPQEDQ-LBPRGKRZSA-N 0 0 328.206 2.730 10 10 EFCERN Cc1cnc(CC(=O)NCc2cc(Br)ccc2O)s1 ZINC000804737000 713455966 /nfs/dbraw/zinc/45/59/66/713455966.db2.gz IADYNZZYKOCQGP-UHFFFAOYSA-N 0 0 341.230 2.779 10 10 EFCERN CC(C)c1cc(C(=O)NCc2cc(Br)ccc2O)[nH]n1 ZINC000804739321 713456408 /nfs/dbraw/zinc/45/64/08/713456408.db2.gz VVUDCSPVKVRTAG-UHFFFAOYSA-N 0 0 338.205 2.931 10 10 EFCERN CC1=C(C(=O)NCc2cc(Br)ccc2O)CCCO1 ZINC000804739592 713456752 /nfs/dbraw/zinc/45/67/52/713456752.db2.gz KTUFXMJYMVNDCY-UHFFFAOYSA-N 0 0 326.190 2.855 10 10 EFCERN CC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804740862 713457025 /nfs/dbraw/zinc/45/70/25/713457025.db2.gz NMERKYXJLXOGLB-UHFFFAOYSA-N 0 0 338.157 2.880 10 10 EFCERN CCOC(CC(=O)NCc1cc(Br)ccc1O)OCC ZINC000804740620 713457113 /nfs/dbraw/zinc/45/71/13/713457113.db2.gz JWNBVGMTSXSMHB-UHFFFAOYSA-N 0 0 346.221 2.560 10 10 EFCERN COc1cccc(CNC(=O)c2cnc(-c3ccncc3)s2)c1O ZINC000175930251 714122963 /nfs/dbraw/zinc/12/29/63/714122963.db2.gz BFUQRQCDCURPLD-UHFFFAOYSA-N 0 0 341.392 2.849 10 10 EFCERN CC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)S1(=O)=O ZINC000840946826 717984407 /nfs/dbraw/zinc/98/44/07/717984407.db2.gz VRTAJLKLCFYQCU-RYUDHWBXSA-N 0 0 331.865 2.752 10 10 EFCERN O=C(NCc1cscn1)NCc1ccc(N2CCSCC2)cc1 ZINC000051308787 714966187 /nfs/dbraw/zinc/96/61/87/714966187.db2.gz XPJUDNVWTVEKOX-UHFFFAOYSA-N 0 0 348.497 2.696 10 10 EFCERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000137883496 724399007 /nfs/dbraw/zinc/39/90/07/724399007.db2.gz GTBIXTOFFAFAGB-QGZVFWFLSA-N 0 0 348.491 2.555 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2ccccn2)c1 ZINC000178414267 715618400 /nfs/dbraw/zinc/61/84/00/715618400.db2.gz KPHCUALSYKGKCN-CYBMUJFWSA-N 0 0 329.400 2.789 10 10 EFCERN Cc1cc(/C=C\C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccccc1 ZINC000104339062 716097106 /nfs/dbraw/zinc/09/71/06/716097106.db2.gz KBQNOSKNSMIPPW-FJVVXJACSA-N 0 0 349.438 2.904 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924493479 716378947 /nfs/dbraw/zinc/37/89/47/716378947.db2.gz AFCYOYXOQUCTPP-YPMHNXCESA-N 0 0 332.322 2.644 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895679215 724249187 /nfs/dbraw/zinc/24/91/87/724249187.db2.gz YUZLKBPJVWONAR-SECBINFHSA-N 0 0 337.647 2.833 10 10 EFCERN CC(C)O[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCOC1 ZINC000722340068 717822508 /nfs/dbraw/zinc/82/25/08/717822508.db2.gz LNNABDGIPKBZJR-OAHLLOKOSA-N 0 0 344.249 2.828 10 10 EFCERN O=C(NCCCSc1nccs1)NCCc1ccccc1O ZINC000177853437 718210556 /nfs/dbraw/zinc/21/05/56/718210556.db2.gz CKTPASAHHQVFSZ-UHFFFAOYSA-N 0 0 337.470 2.873 10 10 EFCERN Cc1cc(O)c(CN[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949427 718500477 /nfs/dbraw/zinc/50/04/77/718500477.db2.gz XHVKZKSGOPFOKI-CQSZACIVSA-N 0 0 337.828 2.972 10 10 EFCERN Cc1cc(O)c(CN2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950594 718558416 /nfs/dbraw/zinc/55/84/16/718558416.db2.gz OVQGXADHMNMUPX-GFCCVEGCSA-N 0 0 331.865 2.611 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305837824 724553253 /nfs/dbraw/zinc/55/32/53/724553253.db2.gz XUDYYPVBZOMMTA-GOEBONIOSA-N 0 0 341.411 2.874 10 10 EFCERN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000722502199 719490608 /nfs/dbraw/zinc/49/06/08/719490608.db2.gz JYJYGWUNRZACIJ-LLVKDONJSA-N 0 0 328.796 2.686 10 10 EFCERN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000722502200 719490940 /nfs/dbraw/zinc/49/09/40/719490940.db2.gz JYJYGWUNRZACIJ-NSHDSACASA-N 0 0 328.796 2.686 10 10 EFCERN COCc1ccsc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000179870282 719864268 /nfs/dbraw/zinc/86/42/68/719864268.db2.gz XJMWZBQAXQXIEM-UHFFFAOYSA-N 0 0 346.452 2.866 10 10 EFCERN C=C/C(C)=C\CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924256106 719918462 /nfs/dbraw/zinc/91/84/62/719918462.db2.gz XVJQPUPACUFESR-TVPGTPATSA-N 0 0 341.455 2.527 10 10 EFCERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OCO2 ZINC000029539840 724633603 /nfs/dbraw/zinc/63/36/03/724633603.db2.gz CFRIPUDGKVNZTH-SNVBAGLBSA-N 0 0 328.324 2.980 10 10 EFCERN COC(=O)c1c(CN2CCCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000893994949 720200813 /nfs/dbraw/zinc/20/08/13/720200813.db2.gz GBBPDYSJNGHZMF-GFCCVEGCSA-N 0 0 334.391 2.715 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894034323 720234857 /nfs/dbraw/zinc/23/48/57/720234857.db2.gz REDGCFCTIQSHGQ-GXTWGEPZSA-N 0 0 348.418 2.839 10 10 EFCERN Cc1noc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000028333124 720925738 /nfs/dbraw/zinc/92/57/38/720925738.db2.gz HHWPUKILGFFRET-JTQLQIEISA-N 0 0 326.312 2.860 10 10 EFCERN Cc1noc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000028333116 720925990 /nfs/dbraw/zinc/92/59/90/720925990.db2.gz HHWPUKILGFFRET-SNVBAGLBSA-N 0 0 326.312 2.860 10 10 EFCERN Cc1cc(CCN2C(=O)[C@H](C)NC2=S)c(C)n1-c1ccccc1 ZINC000015570541 721171581 /nfs/dbraw/zinc/17/15/81/721171581.db2.gz VNYXNRBIKOPLDF-ZDUSSCGKSA-N 0 0 327.453 2.742 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000928131420 721966457 /nfs/dbraw/zinc/96/64/57/721966457.db2.gz CWDVUBNJVRIGRU-JTQLQIEISA-N 0 0 346.334 2.969 10 10 EFCERN COC(=O)c1c(C[NH2+]CCc2cscn2)c2cc(F)ccc2n1C ZINC000894303918 722022481 /nfs/dbraw/zinc/02/24/81/722022481.db2.gz MVQZRWLBGNQHFG-UHFFFAOYSA-N 0 0 347.415 2.893 10 10 EFCERN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894881017 722937436 /nfs/dbraw/zinc/93/74/36/722937436.db2.gz KHRMNZXBEHLZDJ-RNCFNFMXSA-N 0 0 332.213 2.887 10 10 EFCERN C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916006 723027898 /nfs/dbraw/zinc/02/78/98/723027898.db2.gz HPUFUZLCCJELND-JTQLQIEISA-N 0 0 338.320 2.986 10 10 EFCERN COCCC1(C)CN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894980063 723042687 /nfs/dbraw/zinc/04/26/87/723042687.db2.gz IBWAWWHGMHEIRN-UHFFFAOYSA-N 0 0 348.418 2.962 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000896162827 723163754 /nfs/dbraw/zinc/16/37/54/723163754.db2.gz IIPFHAABPASHOR-SNVBAGLBSA-N 0 0 333.340 2.580 10 10 EFCERN COc1cc(C)cc(CN[C@H](C)C(=O)OCc2ccccc2)c1O ZINC000895184341 723844536 /nfs/dbraw/zinc/84/45/36/723844536.db2.gz QSYKRTNSSOLLSJ-CQSZACIVSA-N 0 0 329.396 2.931 10 10 EFCERN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC[C@H]1O ZINC000896934285 723896215 /nfs/dbraw/zinc/89/62/15/723896215.db2.gz MZHKVLGUBBWHHW-NVXWUHKLSA-N 0 0 335.425 2.984 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N(C[C@@H]1CCOC1)C1CC1 ZINC000897068467 723978650 /nfs/dbraw/zinc/97/86/50/723978650.db2.gz OEOQWDAYTXMKNH-JTQLQIEISA-N 0 0 333.409 2.954 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC2(CCC2)CO1 ZINC000925126048 724027502 /nfs/dbraw/zinc/02/75/02/724027502.db2.gz MFEKBTUQZOQUEM-OAHLLOKOSA-N 0 0 344.411 2.506 10 10 EFCERN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895477995 724154319 /nfs/dbraw/zinc/15/43/19/724154319.db2.gz RSMDYPPHTPPXHX-JTQLQIEISA-N 0 0 332.213 2.887 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)cc1 ZINC000895485552 724161885 /nfs/dbraw/zinc/16/18/85/724161885.db2.gz XRYBPVUBKBDYCT-KRWDZBQOSA-N 0 0 345.487 2.748 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2cncc3nc[nH]c32)C2CC2)cc1 ZINC000895633716 724227789 /nfs/dbraw/zinc/22/77/89/724227789.db2.gz RCXAICKJKBUXEK-UHFFFAOYSA-N 0 0 335.411 2.829 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@](CO)(C(F)(F)F)C2)cc1F ZINC000895837034 724343508 /nfs/dbraw/zinc/34/35/08/724343508.db2.gz JRVIDJMDPLCKHR-AWEZNQCLSA-N 0 0 338.320 2.778 10 10 EFCERN CCN(CC)c1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)OC)cc1 ZINC000895861670 724344856 /nfs/dbraw/zinc/34/48/56/724344856.db2.gz GMNSEINGUPUKSC-MSOLQXFVSA-N 0 0 334.460 2.733 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895848194 724348901 /nfs/dbraw/zinc/34/89/01/724348901.db2.gz XYERTBSYCBQLJY-IINYFYTJSA-N 0 0 326.780 2.955 10 10 EFCERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1O ZINC000895867308 724361851 /nfs/dbraw/zinc/36/18/51/724361851.db2.gz VTHSCNRUPYNRSA-GXTWGEPZSA-N 0 0 327.808 2.554 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000797903201 724877023 /nfs/dbraw/zinc/87/70/23/724877023.db2.gz PVLBLBPRDCYXRV-IBGZPJMESA-N 0 0 346.290 2.854 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000728979448 724938960 /nfs/dbraw/zinc/93/89/60/724938960.db2.gz IFVGFYSZZSIAGB-GXTWGEPZSA-N 0 0 327.380 2.829 10 10 EFCERN Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1ccc(F)cc1 ZINC000729102002 725433748 /nfs/dbraw/zinc/43/37/48/725433748.db2.gz GCTUYNATWGEEOV-MRXNPFEDSA-N 0 0 333.359 2.805 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)OC[C@H]3COCCO3)c2C)cc1 ZINC000729102326 725434422 /nfs/dbraw/zinc/43/44/22/725434422.db2.gz JGALVRXLWGKRCJ-QGZVFWFLSA-N 0 0 345.395 2.675 10 10 EFCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)Cc2c[nH]nc21 ZINC000913581735 725529726 /nfs/dbraw/zinc/52/97/26/725529726.db2.gz CXVLEISWCIVCJX-QMMMGPOBSA-N 0 0 329.381 2.795 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C=O)n(C)c2)cc1 ZINC000929537061 725544875 /nfs/dbraw/zinc/54/48/75/725544875.db2.gz JWLSNGCHOZIZNE-UHFFFAOYSA-N 0 0 327.428 2.956 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](CO)c1ccccc1 ZINC000151600003 725785319 /nfs/dbraw/zinc/78/53/19/725785319.db2.gz PHQBTIFERFGLOA-MRXNPFEDSA-N 0 0 349.390 2.756 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000913926547 725953144 /nfs/dbraw/zinc/95/31/44/725953144.db2.gz GBEIXYLHVHPCBF-TZMCWYRMSA-N 0 0 345.365 2.519 10 10 EFCERN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC2(F)CC2)cc1 ZINC000913951691 725966521 /nfs/dbraw/zinc/96/65/21/725966521.db2.gz YSQPBGQCNNCDEZ-UHFFFAOYSA-N 0 0 326.437 2.549 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)c2c(C)csc2C)c1 ZINC000914161540 726092005 /nfs/dbraw/zinc/09/20/05/726092005.db2.gz AMRXNWIUUDKJHG-UHFFFAOYSA-N 0 0 327.427 2.558 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cn2ncc3ccccc32)cc1F ZINC000730489283 726143140 /nfs/dbraw/zinc/14/31/40/726143140.db2.gz TZDLGPHKCSFATB-UHFFFAOYSA-N 0 0 326.375 2.558 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729262653 726210698 /nfs/dbraw/zinc/21/06/98/726210698.db2.gz IAGFBAQGPPFRPR-INIZCTEOSA-N 0 0 327.428 2.592 10 10 EFCERN CC[C@@]1(CO)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897454441 726215780 /nfs/dbraw/zinc/21/57/80/726215780.db2.gz DKSMHSQLXKIQRA-QGZVFWFLSA-N 0 0 335.425 2.937 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@]12C[C@H]1CCCC2 ZINC000914336533 726250414 /nfs/dbraw/zinc/25/04/14/726250414.db2.gz ZZPHLQGHPDWLEW-XLIONFOSSA-N 0 0 343.471 2.903 10 10 EFCERN COC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000914400704 726278557 /nfs/dbraw/zinc/27/85/57/726278557.db2.gz RLMMQJCGDDIOIC-LSDHHAIUSA-N 0 0 349.475 2.697 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(C2CC2)CCC1 ZINC000906859398 726813691 /nfs/dbraw/zinc/81/36/91/726813691.db2.gz RFZBPOBEXSWYSQ-UHFFFAOYSA-N 0 0 346.446 2.983 10 10 EFCERN O=C([C@@H]1CCO[C@H]1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000907105624 726861864 /nfs/dbraw/zinc/86/18/64/726861864.db2.gz UVJHCIKIAKXNTQ-LMMKCTJWSA-N 0 0 345.439 2.715 10 10 EFCERN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907349954 726920157 /nfs/dbraw/zinc/92/01/57/726920157.db2.gz ZACHHTPMUAHOPV-RKDXNWHRSA-N 0 0 337.397 2.630 10 10 EFCERN CC(C)(C)OC(=O)NCC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731872279 726946327 /nfs/dbraw/zinc/94/63/27/726946327.db2.gz BQVIAJWMHAZUMM-UHFFFAOYSA-N 0 0 340.445 2.831 10 10 EFCERN C[C@H](NC(=O)c1cccc2[nH]c(CO)nc21)c1ccc(N(C)C)cc1 ZINC000907493391 726953801 /nfs/dbraw/zinc/95/38/01/726953801.db2.gz RAZWWNOYERNRJC-LBPRGKRZSA-N 0 0 338.411 2.612 10 10 EFCERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCS1 ZINC000915367008 726964513 /nfs/dbraw/zinc/96/45/13/726964513.db2.gz UPKCLGVUDSDMBO-AAEUAGOBSA-N 0 0 325.453 2.975 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000915367205 726964627 /nfs/dbraw/zinc/96/46/27/726964627.db2.gz WWZBCAGTTVNLAR-CRAIPNDOSA-N 0 0 349.450 2.896 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cccc(Cl)c32)c1 ZINC000731973838 726967688 /nfs/dbraw/zinc/96/76/88/726967688.db2.gz LAOINYABKZTRDA-WAYWQWQTSA-N 0 0 341.798 2.697 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@@H]1CCO[C@H]1C1CC1 ZINC000907759444 727009529 /nfs/dbraw/zinc/00/95/29/727009529.db2.gz YANKFRJCUGGLBB-RISCZKNCSA-N 0 0 340.217 2.586 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1c1ncon1 ZINC000908332196 727160189 /nfs/dbraw/zinc/16/01/89/727160189.db2.gz ZBBSXVWEFUFNPK-SECBINFHSA-N 0 0 331.353 2.673 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000910957346 727473019 /nfs/dbraw/zinc/47/30/19/727473019.db2.gz SASSGHMKCZKGHR-USXIJHARSA-N 0 0 329.783 2.953 10 10 EFCERN Cc1ncc(/C=C/C(=O)N2C[C@H](CO)Cc3cccc(F)c32)s1 ZINC000911696666 727584796 /nfs/dbraw/zinc/58/47/96/727584796.db2.gz QEXQWKMMORCTNQ-BTDICHCPSA-N 0 0 332.400 2.802 10 10 EFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2n(n1)CCCC2 ZINC000912034544 727638862 /nfs/dbraw/zinc/63/88/62/727638862.db2.gz SMOHSCPKBKIBQG-XYLWRLHESA-N 0 0 327.384 2.521 10 10 EFCERN C/C=C\[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912108750 727655020 /nfs/dbraw/zinc/65/50/20/727655020.db2.gz DBWVCSIJPUKTMK-ZRUQZJFASA-N 0 0 330.350 2.581 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(Cl)nc(N(C)C)c2)cc1 ZINC000733090374 727674153 /nfs/dbraw/zinc/67/41/53/727674153.db2.gz DCIJKXCACHZIBU-UHFFFAOYSA-N 0 0 332.835 2.797 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)ccc3C)C2)cc1 ZINC000912292631 727689112 /nfs/dbraw/zinc/68/91/12/727689112.db2.gz NLRFDXKUOMEYBX-CQSZACIVSA-N 0 0 326.396 2.718 10 10 EFCERN CN=[S@](C)(=O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000912799675 727745767 /nfs/dbraw/zinc/74/57/67/727745767.db2.gz LMVMFLYBIKVCLH-HSZRJFAPSA-N 0 0 333.457 2.552 10 10 EFCERN CCn1c(Br)ncc1C(=O)NCc1cc(C)ccc1O ZINC000913000270 727767466 /nfs/dbraw/zinc/76/74/66/727767466.db2.gz FVTUPCACJUUVNJ-UHFFFAOYSA-N 0 0 338.205 2.610 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N=c3[nH][nH]cc3C)ccc21 ZINC000349000088 727837517 /nfs/dbraw/zinc/83/75/17/727837517.db2.gz ZDBHSRLDGIMKHJ-UHFFFAOYSA-N 0 0 326.400 2.610 10 10 EFCERN Cc1cc(C)n([C@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000156351939 727910704 /nfs/dbraw/zinc/91/07/04/727910704.db2.gz JCSUHNBOYUCDDV-CQSZACIVSA-N 0 0 327.428 2.962 10 10 EFCERN CCOc1c(F)cccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183479816 728128118 /nfs/dbraw/zinc/12/81/18/728128118.db2.gz WAPPFXZQYOCKMJ-LLVKDONJSA-N 0 0 333.359 2.997 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(-n2cncn2)c1 ZINC000172196807 728573609 /nfs/dbraw/zinc/57/36/09/728573609.db2.gz YUJRCKLSLPJOBR-UHFFFAOYSA-N 0 0 347.422 2.798 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3scnc3C3CC3)CC2)cc1 ZINC000089589161 728672830 /nfs/dbraw/zinc/67/28/30/728672830.db2.gz CPXWFOFJZZLWJT-UHFFFAOYSA-N 0 0 343.452 2.992 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1c1ccnn1C ZINC000919081334 728969353 /nfs/dbraw/zinc/96/93/53/728969353.db2.gz LDTAFGOXKHWTAP-GOSISDBHSA-N 0 0 341.459 2.841 10 10 EFCERN O=C(NCc1ccc(Cl)o1)NCc1ccc(N2CCOCC2)cc1 ZINC000919790168 729086928 /nfs/dbraw/zinc/08/69/28/729086928.db2.gz OAJHGNIVSHLCOA-UHFFFAOYSA-N 0 0 349.818 2.769 10 10 EFCERN CCc1onc(C)c1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919917102 729110332 /nfs/dbraw/zinc/11/03/32/729110332.db2.gz CQALUAXLSUKGRR-UHFFFAOYSA-N 0 0 340.427 2.921 10 10 EFCERN C[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000920043407 729129074 /nfs/dbraw/zinc/12/90/74/729129074.db2.gz HXJXBYOEENDJBV-MGPQQGTHSA-N 0 0 335.423 2.743 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)NCCCSc1nccs1 ZINC000921446551 729459509 /nfs/dbraw/zinc/45/95/09/729459509.db2.gz LDVMFRHTDNJSTG-UHFFFAOYSA-N 0 0 345.490 2.514 10 10 EFCERN C[C@@H](O)C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921450046 729460495 /nfs/dbraw/zinc/46/04/95/729460495.db2.gz RAPBYYMCSZKWEI-UKRRQHHQSA-N 0 0 346.402 2.885 10 10 EFCERN CCN1C[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1=O ZINC001569422501 1085195621 /nfs/dbraw/zinc/19/56/21/1085195621.db2.gz LAOGSZDXCSOZTE-INIZCTEOSA-N 0 0 339.439 2.753 10 10 EFCERN CCN1C[C@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1=O ZINC001569422429 1085195749 /nfs/dbraw/zinc/19/57/49/1085195749.db2.gz ITPIMPHPFKZOHP-MRXNPFEDSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(=O)[nH]n1 ZINC001569447392 1085228218 /nfs/dbraw/zinc/22/82/18/1085228218.db2.gz BEASIMVHPIDVID-UHFFFAOYSA-N 0 0 328.397 2.581 10 10 EFCERN O=C(Nc1nc2cc(Br)cnc2[nH]1)C1=CC(=O)CS1 ZINC001569491443 1085297385 /nfs/dbraw/zinc/29/73/85/1085297385.db2.gz SMPJWNMAIMQYOO-UHFFFAOYSA-N 0 0 339.174 2.740 10 10 EFCERN Cc1csc([C@@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)n1 ZINC001569812535 1085631242 /nfs/dbraw/zinc/63/12/42/1085631242.db2.gz NIQZKNRCSZSDNY-SNVBAGLBSA-N 0 0 332.303 2.896 10 10 EFCERN Cc1nccn1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570017793 1085866029 /nfs/dbraw/zinc/86/60/29/1085866029.db2.gz RQPQOSNFYNNGEJ-UHFFFAOYSA-N 0 0 332.367 2.540 10 10 EFCERN Cc1cc(C(=O)Nc2nnn(C)c2C)c(C)n1-c1ccc(F)cc1 ZINC001570315562 1086143177 /nfs/dbraw/zinc/14/31/77/1086143177.db2.gz DGTYJMAFVKACFW-UHFFFAOYSA-N 0 0 327.363 2.922 10 10 EFCERN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(O)cc1O ZINC001570462070 1086256709 /nfs/dbraw/zinc/25/67/09/1086256709.db2.gz CJRGWBRUJHWHMQ-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1OC(F)(F)F ZINC001570462195 1086257694 /nfs/dbraw/zinc/25/76/94/1086257694.db2.gz IKGPGAZIJUQVBP-UHFFFAOYSA-N 0 0 342.273 2.509 10 10 EFCERN COc1cc(C)c([S@@](C)=O)cc1OC(=O)C1=CC(=O)CS1 ZINC001570510911 1086297982 /nfs/dbraw/zinc/29/79/82/1086297982.db2.gz PLKQLFITOUMHHF-OAQYLSRUSA-N 0 0 326.395 2.727 10 10 EFCERN COc1ccc(OCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001570531558 1086317586 /nfs/dbraw/zinc/31/75/86/1086317586.db2.gz IYAWSEKIZYNGJS-UHFFFAOYSA-N 0 0 338.363 2.644 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H](O)c1ccccc1Cl ZINC001570533443 1086323883 /nfs/dbraw/zinc/32/38/83/1086323883.db2.gz BOXLFNXORQDQGT-QGZVFWFLSA-N 0 0 342.782 2.944 10 10 EFCERN Cn1cnc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)nc21 ZINC001570582110 1086381659 /nfs/dbraw/zinc/38/16/59/1086381659.db2.gz WUEZQJJUUGTSEP-UHFFFAOYSA-N 0 0 349.438 2.889 10 10 EFCERN Cc1cc(C)n(-c2ccc(C(=O)NCc3c(O)cccc3O)cc2)n1 ZINC001647178547 1089041209 /nfs/dbraw/zinc/04/12/09/1089041209.db2.gz QYXWLDBXLBNOOT-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN C[C@H](CC(=O)NCc1c(O)cccc1O)C(=O)c1cccc(F)c1 ZINC001647268780 1089185787 /nfs/dbraw/zinc/18/57/87/1089185787.db2.gz CDUOSGQXANXSFE-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1c(O)cccc1O ZINC001647268817 1089185858 /nfs/dbraw/zinc/18/58/58/1089185858.db2.gz DQWVTIQONXHUHC-GFCCVEGCSA-N 0 0 327.380 2.670 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001647269812 1089188631 /nfs/dbraw/zinc/18/86/31/1089188631.db2.gz LQEVCFRMCHTOSF-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1c(O)cccc1O ZINC001647290140 1089216785 /nfs/dbraw/zinc/21/67/85/1089216785.db2.gz NEKAIGUARFXDJT-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CO[C@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001647791817 1089880114 /nfs/dbraw/zinc/88/01/14/1089880114.db2.gz VQWIERYLILCILG-KSSFIOAISA-N 0 0 329.396 2.603 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccnc(NC(=O)C2CC2)c1 ZINC001647830095 1089887739 /nfs/dbraw/zinc/88/77/39/1089887739.db2.gz IHHZZKAMUZYGDN-UHFFFAOYSA-N 0 0 345.786 2.719 10 10 EFCERN O=C(C[C@@H]1C(=O)Nc2c1cccc2F)NCc1cccc(Cl)c1O ZINC001647830231 1089890018 /nfs/dbraw/zinc/89/00/18/1089890018.db2.gz OKJUEEAEBHGFJD-NSHDSACASA-N 0 0 348.761 2.927 10 10 EFCERN C[S@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001647900908 1089904901 /nfs/dbraw/zinc/90/49/01/1089904901.db2.gz GLLJDUVYQASZQN-JOCHJYFZSA-N 0 0 339.800 2.977 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC001583040742 1091883605 /nfs/dbraw/zinc/88/36/05/1091883605.db2.gz HYRYYDWFPUNNJJ-UHFFFAOYSA-N 0 0 344.278 2.972 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(C)=O)cn1 ZINC001583569369 1092042685 /nfs/dbraw/zinc/04/26/85/1092042685.db2.gz JXMHJRATMZLKTF-UHFFFAOYSA-N 0 0 340.427 2.768 10 10 EFCERN COC(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001583753571 1092064488 /nfs/dbraw/zinc/06/44/88/1092064488.db2.gz YFCDBOCXWIPODN-UHFFFAOYSA-N 0 0 330.359 2.608 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001583817379 1092072220 /nfs/dbraw/zinc/07/22/20/1092072220.db2.gz SAEIZTFXUYHYQZ-CYBMUJFWSA-N 0 0 348.761 2.927 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccc(O)cc3CC2)cc1 ZINC001648512254 1092226167 /nfs/dbraw/zinc/22/61/67/1092226167.db2.gz ZTBGQJHOOHJAAM-UHFFFAOYSA-N 0 0 338.367 2.796 10 10 EFCERN Cc1cc(CNC(=O)c2ccc(C(N)=O)o2)c(C)n1-c1ccccc1 ZINC001648611566 1092241145 /nfs/dbraw/zinc/24/11/45/1092241145.db2.gz HKPJTLFAPAUZIA-UHFFFAOYSA-N 0 0 337.379 2.716 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)c1 ZINC001584989105 1092345590 /nfs/dbraw/zinc/34/55/90/1092345590.db2.gz QDHFREWQWJVTJW-CQSZACIVSA-N 0 0 328.343 2.582 10 10 EFCERN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1cc(C)ccc1O ZINC001584983329 1092346405 /nfs/dbraw/zinc/34/64/05/1092346405.db2.gz JNHBLONBORQAGU-DHDCSXOGSA-N 0 0 330.409 2.556 10 10 EFCERN CS(=O)(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC001585070091 1092363232 /nfs/dbraw/zinc/36/32/32/1092363232.db2.gz KBSPDIBBVFGWOX-UHFFFAOYSA-N 0 0 331.802 2.763 10 10 EFCERN COC1(c2ccccc2)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000796659655 1092445851 /nfs/dbraw/zinc/44/58/51/1092445851.db2.gz MIJYATJDGPMYRB-UHFFFAOYSA-N 0 0 339.439 2.820 10 10 EFCERN COc1nccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC001585544833 1092516502 /nfs/dbraw/zinc/51/65/02/1092516502.db2.gz LLWARWDVFPAJFF-UHFFFAOYSA-N 0 0 340.427 2.652 10 10 EFCERN Cc1ccc(C(=O)NCCc2nsc3ccccc32)c(O)c1O ZINC001585676294 1092542515 /nfs/dbraw/zinc/54/25/15/1092542515.db2.gz LZSIRAVGVVOUKL-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN Cc1cc(CNC(=O)c2cccc[n+]2[O-])c(C)n1-c1cccc(C)c1 ZINC001587020701 1092776159 /nfs/dbraw/zinc/77/61/59/1092776159.db2.gz DKEMGPZNFQNDCX-UHFFFAOYSA-N 0 0 335.407 2.966 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccnc3[nH]c(CC4CC4)nc32)cc1 ZINC001587316319 1092799517 /nfs/dbraw/zinc/79/95/17/1092799517.db2.gz FBUVDFHPYCMDMF-UHFFFAOYSA-N 0 0 349.438 2.906 10 10 EFCERN C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001587446927 1092813048 /nfs/dbraw/zinc/81/30/48/1092813048.db2.gz CLNAFOBJXVXCPP-LBPRGKRZSA-N 0 0 337.379 2.851 10 10 EFCERN Cc1nc(C(=O)N[C@H](C)c2ccccc2O)nn1-c1ccc(F)cc1 ZINC001587444457 1092813388 /nfs/dbraw/zinc/81/33/88/1092813388.db2.gz GNEABQRGNWCTNE-LLVKDONJSA-N 0 0 340.358 2.911 10 10 EFCERN C[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccccc1O ZINC001587444839 1092813655 /nfs/dbraw/zinc/81/36/55/1092813655.db2.gz OTQUVMHKAOAKJU-GFCCVEGCSA-N 0 0 326.352 2.840 10 10 EFCERN C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167582113 1092881090 /nfs/dbraw/zinc/88/10/90/1092881090.db2.gz KOJRXPHVLBMUEV-OAHLLOKOSA-N 0 0 345.512 2.993 10 10 EFCERN Cc1cc(C(F)F)n2ncc(C(=O)N(C)Cc3ccccc3O)c2n1 ZINC001588155152 1092899099 /nfs/dbraw/zinc/89/90/99/1092899099.db2.gz BIEKMILGPNIRNT-UHFFFAOYSA-N 0 0 346.337 2.953 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)c1ccc(F)cc1 ZINC001588313556 1092916525 /nfs/dbraw/zinc/91/65/25/1092916525.db2.gz RHUXPYLLGIFLRN-BONVTDFDSA-N 0 0 344.346 2.840 10 10 EFCERN O=C(NCc1ncc(-c2ccccc2)o1)c1c(F)ccc(O)c1O ZINC001650770493 1093492379 /nfs/dbraw/zinc/49/23/79/1093492379.db2.gz OOOXFATXRHFKTF-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN Cc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccc1F ZINC001651222456 1093540699 /nfs/dbraw/zinc/54/06/99/1093540699.db2.gz GKRDPFLHNGFTFE-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CC1CCN(c2ccc(C(=O)NCc3cc(O)ccc3O)cn2)CC1 ZINC001651222857 1093540760 /nfs/dbraw/zinc/54/07/60/1093540760.db2.gz QRKHNVQVNISINE-UHFFFAOYSA-N 0 0 341.411 2.659 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccn1Cc1cccs1 ZINC001651222686 1093541147 /nfs/dbraw/zinc/54/11/47/1093541147.db2.gz MSKACPCOYKPAAR-UHFFFAOYSA-N 0 0 328.393 2.939 10 10 EFCERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc(O)ccc1O ZINC001651222273 1093541415 /nfs/dbraw/zinc/54/14/15/1093541415.db2.gz DEVZNSRPCXKFLT-UHFFFAOYSA-N 0 0 345.355 2.515 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnc2c(F)ccc(F)c2c1 ZINC001651225678 1093542147 /nfs/dbraw/zinc/54/21/47/1093542147.db2.gz SZOSYEXWUZIYKS-UHFFFAOYSA-N 0 0 330.290 2.854 10 10 EFCERN Cn1ccc(Nc2ccc(C(=O)NCc3cc(O)ccc3O)cc2)n1 ZINC001651225817 1093542172 /nfs/dbraw/zinc/54/21/72/1093542172.db2.gz ZJEHJLPBMHDJHQ-UHFFFAOYSA-N 0 0 338.367 2.505 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C(F)(F)c1c(F)cccc1F ZINC001651225409 1093542274 /nfs/dbraw/zinc/54/22/74/1093542274.db2.gz IFNSBGCQSUHCIC-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001594212316 1094422845 /nfs/dbraw/zinc/42/28/45/1094422845.db2.gz LVXILJYELCSMTQ-UHFFFAOYSA-N 0 0 349.346 2.997 10 10 EFCERN CCCC[C@H](O)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001594799926 1094440195 /nfs/dbraw/zinc/44/01/95/1094440195.db2.gz PAMAHMJXBJHZAP-KRWDZBQOSA-N 0 0 334.460 2.675 10 10 EFCERN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690797460 1094459943 /nfs/dbraw/zinc/45/99/43/1094459943.db2.gz AKWDPLQITPZEGZ-YPMHNXCESA-N 0 0 326.234 2.931 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)cc1 ZINC001595312803 1094460257 /nfs/dbraw/zinc/46/02/57/1094460257.db2.gz DDSNNYCVFIOCDU-AWEZNQCLSA-N 0 0 346.774 2.966 10 10 EFCERN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](O)c1ccccc1F ZINC001595441537 1094468610 /nfs/dbraw/zinc/46/86/10/1094468610.db2.gz QLUWIQFDJZYZFX-WIPDZMNHSA-N 0 0 345.370 2.879 10 10 EFCERN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](O)c1ccccc1F ZINC001595441536 1094468627 /nfs/dbraw/zinc/46/86/27/1094468627.db2.gz QLUWIQFDJZYZFX-AORVMSTASA-N 0 0 345.370 2.879 10 10 EFCERN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)c1ccccc1F ZINC001595441539 1094468644 /nfs/dbraw/zinc/46/86/44/1094468644.db2.gz QLUWIQFDJZYZFX-YIKFPXMYSA-N 0 0 345.370 2.879 10 10 EFCERN O=C(C[C@@H]1CSc2ccccc2O1)NCc1ccc(O)c(O)c1 ZINC001595595590 1094478279 /nfs/dbraw/zinc/47/82/79/1094478279.db2.gz GZURGRIKDLKRQI-GFCCVEGCSA-N 0 0 331.393 2.657 10 10 EFCERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001595666401 1094482246 /nfs/dbraw/zinc/48/22/46/1094482246.db2.gz FHRHKQREKRZFEI-SECBINFHSA-N 0 0 343.408 2.870 10 10 EFCERN COc1ccccc1C(F)(F)C(=O)NCCc1ccc(O)c(O)c1 ZINC001595753052 1094491197 /nfs/dbraw/zinc/49/11/97/1094491197.db2.gz WZXCOTCBDPBTIQ-UHFFFAOYSA-N 0 0 337.322 2.557 10 10 EFCERN Nc1cc(Cl)c(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595753342 1094491217 /nfs/dbraw/zinc/49/12/17/1094491217.db2.gz YAQDEUROIYORGI-UHFFFAOYSA-N 0 0 341.194 2.959 10 10 EFCERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595751068 1094491724 /nfs/dbraw/zinc/49/17/24/1094491724.db2.gz DFVOQBIQHZWQKV-UHFFFAOYSA-N 0 0 330.340 2.595 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cn3ccnc23)c1 ZINC001595806196 1094495662 /nfs/dbraw/zinc/49/56/62/1094495662.db2.gz BYDIPEBOJALEJE-GFCCVEGCSA-N 0 0 325.368 2.848 10 10 EFCERN COc1cccc(CNC(=O)c2coc(-c3ccnc(C)c3)n2)c1O ZINC001595799958 1094495697 /nfs/dbraw/zinc/49/56/97/1094495697.db2.gz LMAKEZICNLRGSA-UHFFFAOYSA-N 0 0 339.351 2.689 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)C1(C)C ZINC001595800365 1094495724 /nfs/dbraw/zinc/49/57/24/1094495724.db2.gz VYANBBCRKMKQIU-DZGCQCFKSA-N 0 0 348.443 2.948 10 10 EFCERN CC(C)(C)c1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001596093544 1094514129 /nfs/dbraw/zinc/51/41/29/1094514129.db2.gz PHUXAYSNVBQEMJ-UHFFFAOYSA-N 0 0 346.416 2.928 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001596916639 1094553544 /nfs/dbraw/zinc/55/35/44/1094553544.db2.gz KHUIGQPQCISYQT-UHFFFAOYSA-N 0 0 347.296 2.925 10 10 EFCERN COC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001597491321 1094592796 /nfs/dbraw/zinc/59/27/96/1094592796.db2.gz BTSCYGXNFPGLJP-UHFFFAOYSA-N 0 0 334.303 2.596 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(F)c(Br)c1 ZINC001597568472 1094600697 /nfs/dbraw/zinc/60/06/97/1094600697.db2.gz DXGHJTKQXVEPET-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001597573801 1094602083 /nfs/dbraw/zinc/60/20/83/1094602083.db2.gz HCJJKDWUQONWBX-OAUYIBNBSA-N 0 0 329.783 2.953 10 10 EFCERN Cn1ncc2c1C[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001597742855 1094619312 /nfs/dbraw/zinc/61/93/12/1094619312.db2.gz QDSCIUMVKREFNH-AWEZNQCLSA-N 0 0 335.407 2.700 10 10 EFCERN O=C(COCC1CCCC1)NCc1cc(Br)ccc1O ZINC000836788766 1095684415 /nfs/dbraw/zinc/68/44/15/1095684415.db2.gz YIIFKZWIZOYDGU-UHFFFAOYSA-N 0 0 342.233 2.978 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2C2CCOCC2)cc1 ZINC001603570175 1096555888 /nfs/dbraw/zinc/55/58/88/1096555888.db2.gz CKYDPHYCALJXJN-UHFFFAOYSA-N 0 0 342.359 2.649 10 10 EFCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(C)sn2)cc1C ZINC001268533351 1097139995 /nfs/dbraw/zinc/13/99/95/1097139995.db2.gz OTWRHAZYACQQJT-SNAWJCMRSA-N 0 0 345.468 2.844 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000927972381 1097841988 /nfs/dbraw/zinc/84/19/88/1097841988.db2.gz XPURZNBODMUJIB-UHFFFAOYSA-N 0 0 337.397 2.632 10 10 EFCERN Cc1cccc2[nH]cc(CCNC(=O)c3c(F)ccc(O)c3O)c21 ZINC001610373652 1098645916 /nfs/dbraw/zinc/64/59/16/1098645916.db2.gz PLVWFGRDCMXRQR-UHFFFAOYSA-N 0 0 328.343 2.999 10 10 EFCERN CCCCOCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001167735178 1098697555 /nfs/dbraw/zinc/69/75/55/1098697555.db2.gz UGLJSKZRWCGAFE-UHFFFAOYSA-N 0 0 329.824 2.837 10 10 EFCERN O=C(NCc1c(F)c(F)cc(F)c1F)c1c(F)ccc(O)c1O ZINC001610992411 1098968562 /nfs/dbraw/zinc/96/85/62/1098968562.db2.gz SSGOJBODHUMIHR-UHFFFAOYSA-N 0 0 333.212 2.723 10 10 EFCERN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001611090733 1098979034 /nfs/dbraw/zinc/97/90/34/1098979034.db2.gz WIRFJJXXLKPNOZ-JDNHERCYSA-N 0 0 337.322 2.882 10 10 EFCERN COc1ccccc1C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001611266606 1098994814 /nfs/dbraw/zinc/99/48/14/1098994814.db2.gz JCRQBPYMRANSHY-UHFFFAOYSA-N 0 0 341.407 2.887 10 10 EFCERN O=C(NCc1c(F)cc(F)c(F)c1F)c1c(F)ccc(O)c1O ZINC001611244722 1098995116 /nfs/dbraw/zinc/99/51/16/1098995116.db2.gz MKDCKWHRGUSTEM-UHFFFAOYSA-N 0 0 333.212 2.723 10 10 EFCERN Cc1nnc(N2CCCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001612586016 1099068410 /nfs/dbraw/zinc/06/84/10/1099068410.db2.gz BZMXLCHRIAUWML-UHFFFAOYSA-N 0 0 343.500 2.788 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001612691489 1099075540 /nfs/dbraw/zinc/07/55/40/1099075540.db2.gz MDPPUFNEIBBRHZ-DYLGSBMWSA-N 0 0 348.399 2.768 10 10 EFCERN COC(=O)c1cc(COc2ccc(N(C)C)c(C(=O)OC)c2)oc1C ZINC001614869059 1099146224 /nfs/dbraw/zinc/14/62/24/1099146224.db2.gz JLIPFNRRMUROHH-UHFFFAOYSA-N 0 0 347.367 2.806 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)[C@H]2CCOC2)cc1 ZINC001615374693 1099157340 /nfs/dbraw/zinc/15/73/40/1099157340.db2.gz BZAFOEYKLQHMBI-SFHVURJKSA-N 0 0 343.475 2.706 10 10 EFCERN CCN(C)c1ccc(CN(CCOC)CC(=O)OC(C)(C)C)cc1 ZINC001615478184 1099160830 /nfs/dbraw/zinc/16/08/30/1099160830.db2.gz ZMUZUXLPAPJVQN-UHFFFAOYSA-N 0 0 336.476 2.933 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1-c1ncc[nH]1 ZINC001626227286 1099169025 /nfs/dbraw/zinc/16/90/25/1099169025.db2.gz WFKFDAITRJHYAV-SOFGYWHQSA-N 0 0 335.363 2.818 10 10 EFCERN COc1nsc(OC)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001616834306 1099196459 /nfs/dbraw/zinc/19/64/59/1099196459.db2.gz CADWMTVZDGJXFG-SNVBAGLBSA-N 0 0 335.429 2.717 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1nnc(-c2ccco2)o1 ZINC001617047758 1099208948 /nfs/dbraw/zinc/20/89/48/1099208948.db2.gz RQXSYVBPZRRXNX-UHFFFAOYSA-N 0 0 326.356 2.634 10 10 EFCERN COC1CCN(c2ccc(CN(C)Cc3ncccn3)cc2)CC1 ZINC001620536129 1099357424 /nfs/dbraw/zinc/35/74/24/1099357424.db2.gz MKOYSBHXYAPERW-UHFFFAOYSA-N 0 0 326.444 2.724 10 10 EFCERN Cc1cc(CC(=O)NC[C@@H]2COC(C)(C)O2)c(C)n1-c1ccccc1 ZINC001622043970 1099471691 /nfs/dbraw/zinc/47/16/91/1099471691.db2.gz QTZVOHWUYHPHEI-GOSISDBHSA-N 0 0 342.439 2.904 10 10 EFCERN COc1ccc2c(c1)c(C(=O)NCc1ccc(O)c(O)c1)c(C)n2C ZINC001622642768 1099531848 /nfs/dbraw/zinc/53/18/48/1099531848.db2.gz AMONKHPDJFRQEI-UHFFFAOYSA-N 0 0 340.379 2.837 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(-c3cnn(C)c3)cc2)c1O ZINC001622778981 1099542743 /nfs/dbraw/zinc/54/27/43/1099542743.db2.gz DNIZJPRBOLNNMY-UHFFFAOYSA-N 0 0 337.379 2.731 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC001623124339 1099562180 /nfs/dbraw/zinc/56/21/80/1099562180.db2.gz KBFYMBLXANHSAN-RBSFLKMASA-N 0 0 342.399 2.927 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001623213299 1099567051 /nfs/dbraw/zinc/56/70/51/1099567051.db2.gz NDWJZSMHXWNKCA-DOTOQJQBSA-N 0 0 341.407 2.924 10 10 EFCERN O=C(NC[C@H](O)Cc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001623655131 1099611040 /nfs/dbraw/zinc/61/10/40/1099611040.db2.gz ASIBCLMEGGRGMG-CYBMUJFWSA-N 0 0 343.404 2.646 10 10 EFCERN Cc1ccccc1[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623776338 1099624651 /nfs/dbraw/zinc/62/46/51/1099624651.db2.gz UBJOPKCHOMKQPK-HNNXBMFYSA-N 0 0 326.356 2.621 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1OC ZINC001624060185 1099655653 /nfs/dbraw/zinc/65/56/53/1099655653.db2.gz CMXBSPUPBGNSEO-UHFFFAOYSA-N 0 0 342.355 2.796 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 ZINC001624417724 1099689488 /nfs/dbraw/zinc/68/94/88/1099689488.db2.gz WOBYWKOKYWRXEH-UHFFFAOYSA-N 0 0 330.319 2.797 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(=O)[nH]n2)c(C)n1-c1ccccc1C ZINC001624719349 1099721920 /nfs/dbraw/zinc/72/19/20/1099721920.db2.gz NAJVPMMXFDVFBQ-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Oc1ccc(NC(=O)C2CC2)cc1 ZINC001624808300 1099736050 /nfs/dbraw/zinc/73/60/50/1099736050.db2.gz NXCPRJWDXNOBCC-UHFFFAOYSA-N 0 0 327.336 2.594 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc2ccc(F)cc21 ZINC001624954158 1099753344 /nfs/dbraw/zinc/75/33/44/1099753344.db2.gz FAAVJCRQVCSFNH-LBPRGKRZSA-N 0 0 342.370 2.939 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccccn2)nc1 ZINC001624954854 1099753379 /nfs/dbraw/zinc/75/33/79/1099753379.db2.gz LMEJSDXFEVQMBL-ZDUSSCGKSA-N 0 0 349.390 2.916 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc2cnccc2c1 ZINC001624954301 1099753665 /nfs/dbraw/zinc/75/36/65/1099753665.db2.gz HMBXARPKUPRUDL-ZDUSSCGKSA-N 0 0 336.391 2.936 10 10 EFCERN O=C(NN1Cc2ccccc2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC001624972842 1099756429 /nfs/dbraw/zinc/75/64/29/1099756429.db2.gz AZGSMGUARQYBHI-UHFFFAOYSA-N 0 0 340.360 2.613 10 10 EFCERN O=C(Nc1nnc2ccccn21)c1cc2cc(O)c(O)cc2s1 ZINC001625031883 1099763119 /nfs/dbraw/zinc/76/31/19/1099763119.db2.gz ZULIOHQHKQIMIU-UHFFFAOYSA-N 0 0 326.337 2.608 10 10 EFCERN CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc(O)c1O ZINC001625287915 1099790413 /nfs/dbraw/zinc/79/04/13/1099790413.db2.gz BNPQGIWYOWGBBL-UHFFFAOYSA-N 0 0 331.368 2.777 10 10 EFCERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001625377461 1099802520 /nfs/dbraw/zinc/80/25/20/1099802520.db2.gz SQTCJHXBNGTAIU-UHFFFAOYSA-N 0 0 340.383 2.707 10 10 EFCERN COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)c(C)cc1C ZINC001625371321 1099802586 /nfs/dbraw/zinc/80/25/86/1099802586.db2.gz WIPYZUZHLCKXMH-UHFFFAOYSA-N 0 0 329.352 2.682 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1OC(F)F ZINC001625404530 1099805111 /nfs/dbraw/zinc/80/51/11/1099805111.db2.gz OZBHJILCAACUAJ-UHFFFAOYSA-N 0 0 337.322 2.601 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(OCc2ccccc2)CC1 ZINC001625466743 1099812614 /nfs/dbraw/zinc/81/26/14/1099812614.db2.gz BWXHVPCOQGKTAU-UHFFFAOYSA-N 0 0 341.407 2.848 10 10 EFCERN CCc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001625570070 1099828799 /nfs/dbraw/zinc/82/87/99/1099828799.db2.gz NQVMWKAQXBKQPU-UHFFFAOYSA-N 0 0 335.410 2.656 10 10 EFCERN Cc1cc(F)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1N ZINC001626338874 1099863999 /nfs/dbraw/zinc/86/39/99/1099863999.db2.gz KZGRNJCEGNPXQC-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001626413857 1099872791 /nfs/dbraw/zinc/87/27/91/1099872791.db2.gz BYSNSXWDFJUWSP-QHHAFSJGSA-N 0 0 340.314 2.674 10 10 EFCERN Cc1nc(C2(NC(=O)c3cccc(O)c3O)CCCCCC2)no1 ZINC001626431642 1099876276 /nfs/dbraw/zinc/87/62/76/1099876276.db2.gz YMOJLZXAXKACRX-UHFFFAOYSA-N 0 0 331.372 2.769 10 10 EFCERN CCOC(=O)[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC001626723146 1099909958 /nfs/dbraw/zinc/90/99/58/1099909958.db2.gz VEOPNQBCLWBVCW-MAUKXSAKSA-N 0 0 348.487 2.944 10 10 EFCERN O=C(COc1ccccc1C(F)(F)F)NCc1ccc(O)cc1O ZINC001626837895 1099924257 /nfs/dbraw/zinc/92/42/57/1099924257.db2.gz JKQPEMNDTQZESR-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN O=C(Cc1cccc(Br)c1)NCc1ccc(O)cc1O ZINC001626837676 1099924598 /nfs/dbraw/zinc/92/45/98/1099924598.db2.gz CTZNQVCKNPYTQH-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN Nc1c(Cl)cc(C(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001626848028 1099926153 /nfs/dbraw/zinc/92/61/53/1099926153.db2.gz IDPOQCDSBMRBFN-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN CCNc1ncc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001627072869 1099954103 /nfs/dbraw/zinc/95/41/03/1099954103.db2.gz GPDQFNTVPSOBDC-UHFFFAOYSA-N 0 0 328.397 2.759 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000781899968 1099957320 /nfs/dbraw/zinc/95/73/20/1099957320.db2.gz HWGOLCRPZZQQCH-LBPRGKRZSA-N 0 0 341.249 2.693 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001627575625 1100010818 /nfs/dbraw/zinc/01/08/18/1100010818.db2.gz YJHJFMXGVVRVQQ-KRWDZBQOSA-N 0 0 347.798 2.894 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1(CO)CCC1 ZINC001627661369 1100019932 /nfs/dbraw/zinc/01/99/32/1100019932.db2.gz CPVPTPWPNLCJNE-LJQANCHMSA-N 0 0 341.407 2.660 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC001628174531 1100071440 /nfs/dbraw/zinc/07/14/40/1100071440.db2.gz GHRYBCBCSFUOQV-CQSZACIVSA-N 0 0 326.360 2.523 10 10 EFCERN Cc1nccn1CCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628558827 1100113870 /nfs/dbraw/zinc/11/38/70/1100113870.db2.gz PXWRZCQCOCGSRL-UHFFFAOYSA-N 0 0 328.376 2.564 10 10 EFCERN O=C(Nc1ccnc2ccnn21)c1cc2cc(O)c(O)cc2s1 ZINC001628646908 1100121034 /nfs/dbraw/zinc/12/10/34/1100121034.db2.gz MRNFDNHYNPHTAB-UHFFFAOYSA-N 0 0 326.337 2.608 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cn2cccn2)o1 ZINC001628667194 1100122461 /nfs/dbraw/zinc/12/24/61/1100122461.db2.gz RNFPLZURZITDJF-UHFFFAOYSA-N 0 0 331.759 2.813 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-n2ccnn2)cc1 ZINC001628681032 1100124250 /nfs/dbraw/zinc/12/42/50/1100124250.db2.gz SOINJPONMZOHQR-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN CCc1nc2c(nccc2C(=O)NCc2cc(Cl)ccc2O)[nH]1 ZINC001628680338 1100124714 /nfs/dbraw/zinc/12/47/14/1100124714.db2.gz GRCOBQLNTAFXIR-UHFFFAOYSA-N 0 0 330.775 2.809 10 10 EFCERN COc1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001628689404 1100124744 /nfs/dbraw/zinc/12/47/44/1100124744.db2.gz WXRHKKZFJJBUSK-UHFFFAOYSA-N 0 0 327.380 2.840 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2cn[nH]c2)c1 ZINC001628876971 1100145800 /nfs/dbraw/zinc/14/58/00/1100145800.db2.gz ZZOQJUSCPWPLQC-UHFFFAOYSA-N 0 0 336.395 2.602 10 10 EFCERN C[C@H](CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)CO)c1ccccc1 ZINC001628885838 1100145969 /nfs/dbraw/zinc/14/59/69/1100145969.db2.gz OAZOSKFNSFHDFD-CABCVRRESA-N 0 0 343.423 2.653 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCC(F)(F)F ZINC001628950483 1100151903 /nfs/dbraw/zinc/15/19/03/1100151903.db2.gz GVEIVZIUSXUTOH-UHFFFAOYSA-N 0 0 330.350 2.824 10 10 EFCERN CCc1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628954572 1100153267 /nfs/dbraw/zinc/15/32/67/1100153267.db2.gz MKNCOYHYDOPPBY-UHFFFAOYSA-N 0 0 326.444 2.855 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cccc1 ZINC000729523005 1100159756 /nfs/dbraw/zinc/15/97/56/1100159756.db2.gz CIGVFNDUWDDAAS-OAHLLOKOSA-N 0 0 345.418 2.731 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2noc3c2CCCC3)cc1 ZINC001629189035 1100178356 /nfs/dbraw/zinc/17/83/56/1100178356.db2.gz HXGWVBFVJBNMDB-UHFFFAOYSA-N 0 0 327.344 2.646 10 10 EFCERN CCn1c(=O)[nH]c2ccc(C(=O)NCc3cc(C)ccc3O)cc21 ZINC001629740309 1100241646 /nfs/dbraw/zinc/24/16/46/1100241646.db2.gz FCJWDUKYPCKVQT-UHFFFAOYSA-N 0 0 325.368 2.706 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)c1 ZINC001629740728 1100241705 /nfs/dbraw/zinc/24/17/05/1100241705.db2.gz OOGPRSXSLPUBGO-UHFFFAOYSA-N 0 0 349.390 2.693 10 10 EFCERN COc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001630159607 1100281520 /nfs/dbraw/zinc/28/15/20/1100281520.db2.gz KWNITEBJJZKMRR-UHFFFAOYSA-N 0 0 326.356 2.830 10 10 EFCERN CC(=O)Nc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001630205680 1100285834 /nfs/dbraw/zinc/28/58/34/1100285834.db2.gz JTSDJDIIFDHLKK-UHFFFAOYSA-N 0 0 339.355 2.737 10 10 EFCERN CCn1cc(C(=O)NCc2ccc(O)c(O)c2)c(-c2ccccc2)n1 ZINC001630272630 1100288616 /nfs/dbraw/zinc/28/86/16/1100288616.db2.gz BWIHGAOWRAQSDJ-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN CCn1ncc(C(=O)NCc2ccc(O)cc2O)c1-c1ccccc1 ZINC001630301474 1100290817 /nfs/dbraw/zinc/29/08/17/1100290817.db2.gz BPLFYLICHJBRHD-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN CN(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C=O ZINC001630531699 1100313797 /nfs/dbraw/zinc/31/37/97/1100313797.db2.gz BBXCKVDIIPDOTA-UHFFFAOYSA-N 0 0 349.390 2.749 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001630532458 1100315538 /nfs/dbraw/zinc/31/55/38/1100315538.db2.gz LNLRJMPAJSAELD-UHFFFAOYSA-N 0 0 335.319 2.717 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCSC[C@@H]2CO)cc1 ZINC001630878020 1100348323 /nfs/dbraw/zinc/34/83/23/1100348323.db2.gz KWLMFBNOFSLZTK-KRWDZBQOSA-N 0 0 330.453 2.644 10 10 EFCERN O=C(N[C@@H](CO)c1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001631419486 1100396286 /nfs/dbraw/zinc/39/62/86/1100396286.db2.gz RPLOITKCDRSUHI-LBPRGKRZSA-N 0 0 347.367 2.915 10 10 EFCERN COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC001631541836 1100408378 /nfs/dbraw/zinc/40/83/78/1100408378.db2.gz BAAAGBLMJMKTQW-LAHYYIKRSA-N 0 0 345.351 2.671 10 10 EFCERN COC(=O)/C=C/c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC001631542978 1100408946 /nfs/dbraw/zinc/40/89/46/1100408946.db2.gz OMYRBEVRQAXPEV-OALRPVAKSA-N 0 0 345.351 2.671 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3cc[nH]c(=O)c3s2)c1 ZINC001631541896 1100409036 /nfs/dbraw/zinc/40/90/36/1100409036.db2.gz BVZRETGPDPOSAZ-SECBINFHSA-N 0 0 344.392 2.795 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1N1CCCCC1 ZINC001631861685 1100434433 /nfs/dbraw/zinc/43/44/33/1100434433.db2.gz TVLRBOKSUQOUJU-UHFFFAOYSA-N 0 0 340.423 2.947 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccccc2-n2cccn2)cc1 ZINC001631916673 1100439496 /nfs/dbraw/zinc/43/94/96/1100439496.db2.gz XIWOMCOUVJZDOB-UHFFFAOYSA-N 0 0 348.366 2.965 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cc(C=O)[nH]c3C)CC2)cc1 ZINC001632043963 1100449159 /nfs/dbraw/zinc/44/91/59/1100449159.db2.gz AIDSLFLNVJVEPZ-UHFFFAOYSA-N 0 0 341.411 2.543 10 10 EFCERN O=C(NCc1nc(-c2ccncc2)cs1)c1cccc(O)c1O ZINC001632108275 1100454434 /nfs/dbraw/zinc/45/44/34/1100454434.db2.gz ZLTTZALBABBUID-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC001632201321 1100459768 /nfs/dbraw/zinc/45/97/68/1100459768.db2.gz NIKCWLPTMVGALJ-OAHLLOKOSA-N 0 0 341.285 2.875 10 10 EFCERN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1-c1ccncc1 ZINC001632227287 1100460634 /nfs/dbraw/zinc/46/06/34/1100460634.db2.gz BSEOLSBSJCDWAD-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001632227884 1100460679 /nfs/dbraw/zinc/46/06/79/1100460679.db2.gz ILLWIEIMMHNRAT-LLVKDONJSA-N 0 0 335.787 2.622 10 10 EFCERN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(-c2cccnc2)n1 ZINC001632223854 1100460869 /nfs/dbraw/zinc/46/08/69/1100460869.db2.gz PHPJXJCIFCCZIG-UHFFFAOYSA-N 0 0 342.786 2.771 10 10 EFCERN COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1O)c1cccc(C)c1 ZINC001632829222 1100502968 /nfs/dbraw/zinc/50/29/68/1100502968.db2.gz ABTJHYRQIICVJG-HNNXBMFYSA-N 0 0 343.379 2.749 10 10 EFCERN COC(=O)C[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1cccc(C)c1 ZINC001632829223 1100502982 /nfs/dbraw/zinc/50/29/82/1100502982.db2.gz ABTJHYRQIICVJG-OAHLLOKOSA-N 0 0 343.379 2.749 10 10 EFCERN C[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001633270410 1100532741 /nfs/dbraw/zinc/53/27/41/1100532741.db2.gz LVSCEXYGCBYZSZ-KRWDZBQOSA-N 0 0 344.346 2.626 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCn2sc3ccccc3c2=O)c1 ZINC001633287225 1100533632 /nfs/dbraw/zinc/53/36/32/1100533632.db2.gz YCTRLMLRODXORO-UHFFFAOYSA-N 0 0 342.420 2.784 10 10 EFCERN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N)c1F ZINC001633315237 1100536004 /nfs/dbraw/zinc/53/60/04/1100536004.db2.gz IPQHGQCDIGFHBJ-LLVKDONJSA-N 0 0 331.391 2.974 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@H]1CCOC1 ZINC001633536131 1100548068 /nfs/dbraw/zinc/54/80/68/1100548068.db2.gz MHHXVQNNGQXEHQ-KRWDZBQOSA-N 0 0 331.460 2.855 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)c(O)c1 ZINC001633599391 1100553449 /nfs/dbraw/zinc/55/34/49/1100553449.db2.gz ZISPKHKXMFNOGF-UHFFFAOYSA-N 0 0 327.258 2.752 10 10 EFCERN C[C@H](C(=O)NCc1cc(O)ccc1O)[C@H]1OCCc2sccc21 ZINC001633599245 1100553772 /nfs/dbraw/zinc/55/37/72/1100553772.db2.gz UUFHTUMFLMHZIT-MGPLVRAMSA-N 0 0 333.409 2.726 10 10 EFCERN CC(C)c1cc(NC(=O)C2=CC(=O)CS2)n(-c2ncccn2)n1 ZINC001633611655 1100554599 /nfs/dbraw/zinc/55/45/99/1100554599.db2.gz LFFUOZTWHMIDBD-UHFFFAOYSA-N 0 0 329.385 2.805 10 10 EFCERN C[S@@](=O)Cc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001633657228 1100557669 /nfs/dbraw/zinc/55/76/69/1100557669.db2.gz AVMLWUYMGROBTH-XMMPIXPASA-N 0 0 344.396 2.980 10 10 EFCERN C[S@](=O)Cc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001633657227 1100557703 /nfs/dbraw/zinc/55/77/03/1100557703.db2.gz AVMLWUYMGROBTH-DEOSSOPVSA-N 0 0 344.396 2.980 10 10 EFCERN COc1cccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)OC)c1 ZINC001633713279 1100560216 /nfs/dbraw/zinc/56/02/16/1100560216.db2.gz LLBPSAKWXVHLFP-KOEDOTQGSA-N 0 0 343.379 2.624 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001633819495 1100567899 /nfs/dbraw/zinc/56/78/99/1100567899.db2.gz QNKCVBCMKUONIP-NSHDSACASA-N 0 0 338.363 2.753 10 10 EFCERN COc1ccc(CNC(=O)c2cccc3c2C(=O)OC3(C)C)c(O)c1 ZINC001633927392 1100574634 /nfs/dbraw/zinc/57/46/34/1100574634.db2.gz UMCCKEZDYDOZGX-UHFFFAOYSA-N 0 0 341.363 2.736 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCOc3cc(O)ccc3C2)cc1 ZINC001635163253 1100645886 /nfs/dbraw/zinc/64/58/86/1100645886.db2.gz URCYGXGIVZOFDI-UHFFFAOYSA-N 0 0 340.339 2.589 10 10 EFCERN O=C(NCc1ccccc1O)NCc1c(F)cccc1-n1cccn1 ZINC001635329100 1100655021 /nfs/dbraw/zinc/65/50/21/1100655021.db2.gz BEOFKBGCLPZOLJ-UHFFFAOYSA-N 0 0 340.358 2.716 10 10 EFCERN O=C(CCCn1cnc2ccccc21)NCc1c(O)cccc1F ZINC001635360252 1100656680 /nfs/dbraw/zinc/65/66/80/1100656680.db2.gz GGTVYZGDBFCVFZ-UHFFFAOYSA-N 0 0 327.359 2.978 10 10 EFCERN CCc1nc2ccccc2n1CC(=O)NCc1c(O)cccc1F ZINC001635360328 1100656843 /nfs/dbraw/zinc/65/68/43/1100656843.db2.gz JPONYKTXDOJESH-UHFFFAOYSA-N 0 0 327.359 2.760 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H](O)Cc2ccccc21 ZINC001635411521 1100661044 /nfs/dbraw/zinc/66/10/44/1100661044.db2.gz OBGZJHHDIRVBGB-GFCCVEGCSA-N 0 0 341.388 2.876 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)Cc2ccccc21 ZINC001635411522 1100661174 /nfs/dbraw/zinc/66/11/74/1100661174.db2.gz OBGZJHHDIRVBGB-LBPRGKRZSA-N 0 0 341.388 2.876 10 10 EFCERN COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001635449150 1100662284 /nfs/dbraw/zinc/66/22/84/1100662284.db2.gz NCXUNZATOOIRJF-UHFFFAOYSA-N 0 0 330.365 2.646 10 10 EFCERN CN=[S@@](C)(=O)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001635477665 1100664046 /nfs/dbraw/zinc/66/40/46/1100664046.db2.gz VPSSQIWUXODKTF-UMESLIDUSA-N 0 0 346.408 2.836 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccnc4ccncc43)CC2)cc1 ZINC001635784281 1100679095 /nfs/dbraw/zinc/67/90/95/1100679095.db2.gz KCYMOVZXMCVQCD-UHFFFAOYSA-N 0 0 348.406 2.601 10 10 EFCERN C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1O ZINC001635799309 1100680959 /nfs/dbraw/zinc/68/09/59/1100680959.db2.gz XWXQMUXZQXYQNG-LBPRGKRZSA-N 0 0 339.347 2.755 10 10 EFCERN C[C@@H](NC(=O)c1cc(-n2ccnn2)ccc1F)c1ccccc1O ZINC001635798829 1100680966 /nfs/dbraw/zinc/68/09/66/1100680966.db2.gz DATHHNLJFVJGIP-LLVKDONJSA-N 0 0 326.331 2.603 10 10 EFCERN CSc1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001635843160 1100683647 /nfs/dbraw/zinc/68/36/47/1100683647.db2.gz HPRHJINDHPRHGN-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1[C@H]1CCCOC1 ZINC001635847486 1100683837 /nfs/dbraw/zinc/68/38/37/1100683837.db2.gz ONTPQRQLHITJLH-AWEZNQCLSA-N 0 0 344.411 2.798 10 10 EFCERN COc1c(F)cc(NC(=O)c2cccc(O)c2O)c(OC)c1F ZINC001635893450 1100686553 /nfs/dbraw/zinc/68/65/53/1100686553.db2.gz HHUWWKGDRJATCF-UHFFFAOYSA-N 0 0 325.267 2.646 10 10 EFCERN CNc1nc(C)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001635959136 1100689439 /nfs/dbraw/zinc/68/94/39/1100689439.db2.gz DKSRNXIGORSGPL-UHFFFAOYSA-N 0 0 325.412 2.946 10 10 EFCERN Nc1c(C(=O)NCc2ccc(O)c(O)c2)cccc1C(F)(F)F ZINC001635959280 1100689811 /nfs/dbraw/zinc/68/98/11/1100689811.db2.gz HMAGUSHHJAUOCS-UHFFFAOYSA-N 0 0 326.274 2.629 10 10 EFCERN Cn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1-n1cccc1 ZINC001635964821 1100690370 /nfs/dbraw/zinc/69/03/70/1100690370.db2.gz AMDHZCWUSCYJDL-UHFFFAOYSA-N 0 0 346.390 3.000 10 10 EFCERN COc1cccc(CNC(=O)c2cccc3c2C(=O)OC3(C)C)c1O ZINC001636061584 1100697085 /nfs/dbraw/zinc/69/70/85/1100697085.db2.gz RVOLRWITBCSXSH-UHFFFAOYSA-N 0 0 341.363 2.736 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncnc3ccsc32)c1 ZINC001636061522 1100697274 /nfs/dbraw/zinc/69/72/74/1100697274.db2.gz PUWUTCRDWUWFIU-SECBINFHSA-N 0 0 329.381 2.897 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2coc(-c3cccnc3)n2)c1 ZINC001636061283 1100697461 /nfs/dbraw/zinc/69/74/61/1100697461.db2.gz LXXIHRHSVYLSPC-NSHDSACASA-N 0 0 339.351 2.942 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](Cc1ccccc1)OC ZINC001636058439 1100697505 /nfs/dbraw/zinc/69/75/05/1100697505.db2.gz BZFUSEVZSFONLO-INIZCTEOSA-N 0 0 334.412 2.752 10 10 EFCERN Nc1cccc(Cl)c1NS(=O)(=O)c1cccc2nsnc21 ZINC000050352779 1100700946 /nfs/dbraw/zinc/70/09/46/1100700946.db2.gz BSUNHIPBYOBBEH-UHFFFAOYSA-N 0 0 340.817 2.728 10 10 EFCERN O=C(CCNc1ccccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001636231007 1100708045 /nfs/dbraw/zinc/70/80/45/1100708045.db2.gz NBCQOYBMWHIYBV-UHFFFAOYSA-N 0 0 327.340 2.645 10 10 EFCERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1cccs1 ZINC001636435056 1100718790 /nfs/dbraw/zinc/71/87/90/1100718790.db2.gz FWRFOBYDQYHOKF-UHFFFAOYSA-N 0 0 333.390 2.987 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnc(Oc2ccccc2)cn1 ZINC001637126259 1100758293 /nfs/dbraw/zinc/75/82/93/1100758293.db2.gz QJQLFXCLFFXEFR-UHFFFAOYSA-N 0 0 337.335 2.610 10 10 EFCERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cc(O)ccc2O)CC=CCC1 ZINC001637125740 1100758663 /nfs/dbraw/zinc/75/86/63/1100758663.db2.gz DUVJTOGAVPKJSB-LJQANCHMSA-N 0 0 347.411 2.782 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1(c2ccc(F)cc2)CCOCC1 ZINC001637122739 1100758863 /nfs/dbraw/zinc/75/88/63/1100758863.db2.gz OLFMMYIINOFBLS-UHFFFAOYSA-N 0 0 345.370 2.602 10 10 EFCERN COC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001637226983 1100766109 /nfs/dbraw/zinc/76/61/09/1100766109.db2.gz HYPMAKKHSCUUPS-UHFFFAOYSA-N 0 0 333.771 2.691 10 10 EFCERN Nc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1ccccc1 ZINC001637232579 1100766226 /nfs/dbraw/zinc/76/62/26/1100766226.db2.gz UHLFIKWCULYEJE-UHFFFAOYSA-N 0 0 342.786 2.744 10 10 EFCERN O=C(N[C@H](CO)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001637796520 1100806652 /nfs/dbraw/zinc/80/66/52/1100806652.db2.gz KTPMUTUDUMCJSU-GFCCVEGCSA-N 0 0 329.377 2.776 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CCO2 ZINC001638167440 1100838815 /nfs/dbraw/zinc/83/88/15/1100838815.db2.gz WLSXLBIPQSKIFX-YFUKIHRRSA-N 0 0 341.363 2.760 10 10 EFCERN C[C@@H](Cc1c[nH]cn1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273216 1100845820 /nfs/dbraw/zinc/84/58/20/1100845820.db2.gz RUQDBMTWVXLRQQ-ZDUSSCGKSA-N 0 0 346.394 2.937 10 10 EFCERN CC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001638342323 1100849960 /nfs/dbraw/zinc/84/99/60/1100849960.db2.gz LVLFTHSICMGKRB-SNVBAGLBSA-N 0 0 346.358 2.556 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc2cccnc2c1 ZINC001638347193 1100850331 /nfs/dbraw/zinc/85/03/31/1100850331.db2.gz FLLIAAROXULXTF-ZDUSSCGKSA-N 0 0 336.391 2.936 10 10 EFCERN COc1ccc2nc(C)c(C(=O)NCc3ccc(O)cc3O)cc2c1 ZINC001638351938 1100851547 /nfs/dbraw/zinc/85/15/47/1100851547.db2.gz JHDOMIVMOHHCFG-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN CC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC001638352594 1100851601 /nfs/dbraw/zinc/85/16/01/1100851601.db2.gz SEFJSVOVIKDQJU-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN Cc1ccc(-c2nc(C(=O)NCc3ccc(O)cc3O)cs2)n1C ZINC001638352246 1100851626 /nfs/dbraw/zinc/85/16/26/1100851626.db2.gz NPYCQRBTJUZCRE-UHFFFAOYSA-N 0 0 343.408 2.798 10 10 EFCERN CCCCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C ZINC001638428605 1100859843 /nfs/dbraw/zinc/85/98/43/1100859843.db2.gz BELGTGCXQZNMRJ-STQMWFEESA-N 0 0 325.380 2.951 10 10 EFCERN Cc1[nH]nc2nc(C)cc(C(=O)NCc3ccc4cccnc4c3O)c12 ZINC001638569681 1100870468 /nfs/dbraw/zinc/87/04/68/1100870468.db2.gz KYUMEYHNXGQLIL-UHFFFAOYSA-N 0 0 347.378 2.759 10 10 EFCERN O=C(Cc1ccc(O)c(F)c1)NCc1ccc2cccnc2c1O ZINC001638573393 1100870689 /nfs/dbraw/zinc/87/06/89/1100870689.db2.gz VDWOADNOCDSAJV-UHFFFAOYSA-N 0 0 326.327 2.644 10 10 EFCERN O=C(Cc1c[nH]c2ncccc12)NCc1ccc2cccnc2c1O ZINC001638573294 1100870863 /nfs/dbraw/zinc/87/08/63/1100870863.db2.gz QUCDKXWFRXIZRC-UHFFFAOYSA-N 0 0 332.363 2.676 10 10 EFCERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001638815883 1100887988 /nfs/dbraw/zinc/88/79/88/1100887988.db2.gz MTLVZAHMOJGVEQ-HXPMCKFVSA-N 0 0 345.370 2.768 10 10 EFCERN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001638827834 1100889694 /nfs/dbraw/zinc/88/96/94/1100889694.db2.gz SICALZTXETUGAE-FQEVSTJZSA-N 0 0 343.423 2.830 10 10 EFCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1c(O)cccc1F ZINC001638864343 1100892919 /nfs/dbraw/zinc/89/29/19/1100892919.db2.gz WVPUXYZELCSOGB-LBPRGKRZSA-N 0 0 339.370 2.970 10 10 EFCERN COCCOCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001639335470 1100939728 /nfs/dbraw/zinc/93/97/28/1100939728.db2.gz GIUGNQXXPCZYPK-UHFFFAOYSA-N 0 0 344.367 2.901 10 10 EFCERN COc1cccc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001639341603 1100939863 /nfs/dbraw/zinc/93/98/63/1100939863.db2.gz WLSHOZCJCHFETH-OAHLLOKOSA-N 0 0 341.455 2.755 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)c(O)c1O ZINC001639398749 1100944642 /nfs/dbraw/zinc/94/46/42/1100944642.db2.gz MQUWFBBXMDAERB-AWEZNQCLSA-N 0 0 339.351 2.503 10 10 EFCERN COc1ccccc1-c1cc(C(=O)NCc2ccc(O)cc2O)no1 ZINC001639441007 1100949640 /nfs/dbraw/zinc/94/96/40/1100949640.db2.gz FLGBLEDJYOQNSF-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN CN(C(=O)c1cccc(O)c1O)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001639603771 1100966243 /nfs/dbraw/zinc/96/62/43/1100966243.db2.gz YUCLRADEAKNCJV-HNNXBMFYSA-N 0 0 341.342 2.822 10 10 EFCERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001639891781 1100993528 /nfs/dbraw/zinc/99/35/28/1100993528.db2.gz JABUGHLFLBOHLD-GFCCVEGCSA-N 0 0 334.376 2.557 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccncc1 ZINC001640083779 1101012595 /nfs/dbraw/zinc/01/25/95/1101012595.db2.gz GVESVJPCXYOKRO-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN CC(C)(CO)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001640125635 1101015466 /nfs/dbraw/zinc/01/54/66/1101015466.db2.gz LNXGHUCUJNIRLW-SFHVURJKSA-N 0 0 329.396 2.516 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000840360886 1101022902 /nfs/dbraw/zinc/02/29/02/1101022902.db2.gz WHEATUMDCRFGQK-BQLWYNFJSA-N 0 0 346.383 2.786 10 10 EFCERN Oc1ccc(O)c(CNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC001640350422 1101037940 /nfs/dbraw/zinc/03/79/40/1101037940.db2.gz IKFHCXSMFPXSJF-UHFFFAOYSA-N 0 0 333.351 2.839 10 10 EFCERN Cc1nn(C)c2nc(C)c(C(=O)NCc3cccc(Cl)c3O)cc12 ZINC001640402323 1101043417 /nfs/dbraw/zinc/04/34/17/1101043417.db2.gz PURVRIUKSFCFLC-UHFFFAOYSA-N 0 0 344.802 2.874 10 10 EFCERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O ZINC001640404802 1101043706 /nfs/dbraw/zinc/04/37/06/1101043706.db2.gz HEPAUZDQLFGRNR-UHFFFAOYSA-N 0 0 339.710 2.605 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCOC1(C)C ZINC000840381502 1101049739 /nfs/dbraw/zinc/04/97/39/1101049739.db2.gz FYSBTHOJWWMFSB-RHSMWYFYSA-N 0 0 333.476 2.859 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(O)c2ncccc12 ZINC001640682425 1101071009 /nfs/dbraw/zinc/07/10/09/1101071009.db2.gz VUBSSAFROSNJHX-XBXARRHUSA-N 0 0 336.347 2.681 10 10 EFCERN Cn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C(F)(F)F ZINC001640920285 1101087747 /nfs/dbraw/zinc/08/77/47/1101087747.db2.gz NNNNILPCXUGDHW-UHFFFAOYSA-N 0 0 333.697 2.728 10 10 EFCERN COc1ccc(C=O)c(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640919995 1101088074 /nfs/dbraw/zinc/08/80/74/1101088074.db2.gz HXNLFFBGAHKMOB-UHFFFAOYSA-N 0 0 349.770 2.562 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@H](O)Cc1ccccc1Cl ZINC001640920240 1101088380 /nfs/dbraw/zinc/08/83/80/1101088380.db2.gz MLLZLNVXHJVKGJ-OAHLLOKOSA-N 0 0 340.206 2.919 10 10 EFCERN COC(=O)c1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001640924272 1101088936 /nfs/dbraw/zinc/08/89/36/1101088936.db2.gz JYEUZIJICRCALI-UHFFFAOYSA-N 0 0 333.771 2.691 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnccc1C(F)(F)F ZINC001641017874 1101096350 /nfs/dbraw/zinc/09/63/50/1101096350.db2.gz UYDBHMKSAUHMCT-DUXPYHPUSA-N 0 0 338.285 2.841 10 10 EFCERN COc1ccccc1[C@@H](C)N(OC)C(=O)Cc1ccc(O)c(O)c1 ZINC001641063621 1101098818 /nfs/dbraw/zinc/09/88/18/1101098818.db2.gz MFRIVIRVKHKAMX-GFCCVEGCSA-N 0 0 331.368 2.800 10 10 EFCERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](CO)c1ccccc1 ZINC001641314006 1101125354 /nfs/dbraw/zinc/12/53/54/1101125354.db2.gz OEYVLNFLOPUDMO-HNNXBMFYSA-N 0 0 326.356 2.655 10 10 EFCERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)ccc(O)c1O ZINC001641386500 1101130710 /nfs/dbraw/zinc/13/07/10/1101130710.db2.gz RPKNPLKJGVXQMT-UHFFFAOYSA-N 0 0 340.694 2.729 10 10 EFCERN Cc1c(C(=O)NCc2cc(C)ccc2O)nnn1-c1cccc(C)c1 ZINC001641729609 1101160049 /nfs/dbraw/zinc/16/00/49/1101160049.db2.gz SAVIDIQKRAMLGD-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN Cc1cc(C(=O)NCc2cnc(Cl)cn2)c(C)n1-c1ccccn1 ZINC001642171528 1101194044 /nfs/dbraw/zinc/19/40/44/1101194044.db2.gz QRLMUMWJGGYSCF-UHFFFAOYSA-N 0 0 341.802 2.863 10 10 EFCERN O=C(NCc1cc(F)ccc1OC(F)F)c1cccc(O)c1O ZINC001168046490 1101211154 /nfs/dbraw/zinc/21/11/54/1101211154.db2.gz NPNNAMZETSXCEI-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)c1ncc(C=O)cn1 ZINC001642420885 1101213151 /nfs/dbraw/zinc/21/31/51/1101213151.db2.gz ZQQQCVRSMACUFK-UHFFFAOYSA-N 0 0 336.189 2.784 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC001642461783 1101214921 /nfs/dbraw/zinc/21/49/21/1101214921.db2.gz OPARIMKDHLPAQK-CYBMUJFWSA-N 0 0 336.388 2.865 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1-c1nccs1 ZINC001643101226 1101269607 /nfs/dbraw/zinc/26/96/07/1101269607.db2.gz ZGYBLTYOVJPMRA-UHFFFAOYSA-N 0 0 343.408 2.892 10 10 EFCERN COc1ccc(C(=O)NCc2ccc(O)cc2O)c(OC(F)F)c1 ZINC001643104399 1101271036 /nfs/dbraw/zinc/27/10/36/1101271036.db2.gz XAXFNQGHHNWICZ-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN COc1ncc(Br)c(NCc2c(O)cccc2F)n1 ZINC001643210435 1101280807 /nfs/dbraw/zinc/28/08/07/1101280807.db2.gz XOVKNHQTPMHSPQ-UHFFFAOYSA-N 0 0 328.141 2.705 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc2ccccc2c(=O)o1 ZINC001643282813 1101286999 /nfs/dbraw/zinc/28/69/99/1101286999.db2.gz AIMRDVNBLOQZQG-UHFFFAOYSA-N 0 0 346.342 2.977 10 10 EFCERN Cc1cc2ncc(C(=O)NCc3ccc4cccnc4c3O)c(C)n2n1 ZINC001643283540 1101287100 /nfs/dbraw/zinc/28/71/00/1101287100.db2.gz ZZDRKPQLQAOGJE-UHFFFAOYSA-N 0 0 347.378 2.530 10 10 EFCERN CSc1cc(C(=O)NCc2ccc3cccnc3c2O)ccn1 ZINC001643283306 1101287336 /nfs/dbraw/zinc/28/73/36/1101287336.db2.gz PBYBXSXIIPMDGG-UHFFFAOYSA-N 0 0 325.393 2.987 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCCCC2)cc1 ZINC001643394683 1101295267 /nfs/dbraw/zinc/29/52/67/1101295267.db2.gz QXYLIYDKHCVTEI-UHFFFAOYSA-N 0 0 340.423 2.947 10 10 EFCERN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](CO)c1ccccc1 ZINC001643500635 1101304115 /nfs/dbraw/zinc/30/41/15/1101304115.db2.gz SCCAEQNQXLRPDK-HGPCXVNDSA-N 0 0 327.380 2.693 10 10 EFCERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001643517052 1101305455 /nfs/dbraw/zinc/30/54/55/1101305455.db2.gz AJNWRBMPOSRYST-GFCCVEGCSA-N 0 0 342.395 2.807 10 10 EFCERN COC(=O)c1cc(OCC(=O)Nc2cccc(F)c2)ccc1N(C)C ZINC001652164684 1101445795 /nfs/dbraw/zinc/44/57/95/1101445795.db2.gz AEHFYEVXJSSIET-UHFFFAOYSA-N 0 0 346.358 2.696 10 10 EFCERN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001652202392 1101451505 /nfs/dbraw/zinc/45/15/05/1101451505.db2.gz UDJPDUJBGDEVQG-UHFFFAOYSA-N 0 0 340.383 2.888 10 10 EFCERN Cc1nn(-c2ccccc2)cc1C(=O)NCc1c(O)cccc1F ZINC001652295534 1101470841 /nfs/dbraw/zinc/47/08/41/1101470841.db2.gz NFMYWJHDBYDNMN-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ncc(Br)s1 ZINC001652298581 1101471024 /nfs/dbraw/zinc/47/10/24/1101471024.db2.gz MYNVVPDWOBAXFK-UHFFFAOYSA-N 0 0 331.166 2.680 10 10 EFCERN C[C@]1(C(=O)NCc2cccc(Cl)c2O)Cc2ccccc2C(=O)O1 ZINC001653563635 1101630094 /nfs/dbraw/zinc/63/00/94/1101630094.db2.gz GSORDOLXOKJQEK-GOSISDBHSA-N 0 0 345.782 2.834 10 10 EFCERN COc1c(C(=O)NCc2cccc(Cl)c2O)cccc1[N+](=O)[O-] ZINC001653567116 1101632089 /nfs/dbraw/zinc/63/20/89/1101632089.db2.gz LDGJUACBKOBZCI-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001653566915 1101632445 /nfs/dbraw/zinc/63/24/45/1101632445.db2.gz FWOAPKOZTMOQCS-UHFFFAOYSA-N 0 0 338.722 2.952 10 10 EFCERN C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Cl)c1O ZINC001653567251 1101633049 /nfs/dbraw/zinc/63/30/49/1101633049.db2.gz QWSWHDYXJKPRQJ-NSHDSACASA-N 0 0 335.787 2.622 10 10 EFCERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(F)CC1 ZINC000843553566 1101723162 /nfs/dbraw/zinc/72/31/62/1101723162.db2.gz AIYIKXXBSKSPAO-LLVKDONJSA-N 0 0 328.334 2.875 10 10 EFCERN COC(=O)c1ccnc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001655323456 1101809964 /nfs/dbraw/zinc/80/99/64/1101809964.db2.gz BUKLRUHEWOMWHP-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3cc(F)ccc3O)ccc21 ZINC001625848188 1101812492 /nfs/dbraw/zinc/81/24/92/1101812492.db2.gz YMTBSOWTERLPAQ-UHFFFAOYSA-N 0 0 328.387 2.773 10 10 EFCERN CCOC(=O)c1cnc(CC)nc1N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001655364891 1101817010 /nfs/dbraw/zinc/81/70/10/1101817010.db2.gz MODOIDZZGCLOCT-LLVKDONJSA-N 0 0 345.399 2.670 10 10 EFCERN CNC(=O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC001655392394 1101819581 /nfs/dbraw/zinc/81/95/81/1101819581.db2.gz AVNJAZLKUCGAGX-UHFFFAOYSA-N 0 0 325.456 2.809 10 10 EFCERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403512 1101902531 /nfs/dbraw/zinc/90/25/31/1101902531.db2.gz LOFLIDAKQHZFGO-NTMALXAHSA-N 0 0 349.390 2.955 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2cccs2)C1 ZINC000588404968 1101914444 /nfs/dbraw/zinc/91/44/44/1101914444.db2.gz ZWXQFJHNYJMNOU-VOKGJARPSA-N 0 0 331.393 2.773 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1-n1cccn1 ZINC000588405580 1101919733 /nfs/dbraw/zinc/91/97/33/1101919733.db2.gz MZGZWVPGLYXCND-CLFYSBASSA-N 0 0 335.363 2.613 10 10 EFCERN CCN(Cc1nc(-c2cc(OC)ncn2)no1)c1ccc(OC)cc1 ZINC000828172407 1102091725 /nfs/dbraw/zinc/09/17/25/1102091725.db2.gz BDEDKZBCQDUPFM-UHFFFAOYSA-N 0 0 341.371 2.570 10 10 EFCERN Cc1cc(O)c(CNc2ccc(N3CCNC(=O)C3)cc2)c(Cl)c1 ZINC000840880291 1102220410 /nfs/dbraw/zinc/22/04/10/1102220410.db2.gz CSOJQSFAYWEVJD-UHFFFAOYSA-N 0 0 345.830 2.902 10 10 EFCERN COc1ccc(N2CCN(Cc3cccc(N(C)C)n3)CC2)cc1F ZINC001168069464 1102350466 /nfs/dbraw/zinc/35/04/66/1102350466.db2.gz XSHJJVRJYPMPMJ-UHFFFAOYSA-N 0 0 344.434 2.618 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccncc2N2CCCC2)cc1F ZINC001125535568 1102358614 /nfs/dbraw/zinc/35/86/14/1102358614.db2.gz XJECBCITHUFDHE-UHFFFAOYSA-N 0 0 342.418 2.817 10 10 EFCERN CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001648889577 1102549399 /nfs/dbraw/zinc/54/93/99/1102549399.db2.gz BXRAQHJXGPYWNM-GFCCVEGCSA-N 0 0 333.409 2.677 10 10 EFCERN C[C@H](NC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)c1ccccc1O ZINC001648893889 1102553683 /nfs/dbraw/zinc/55/36/83/1102553683.db2.gz FUKNGULKEMWGOB-LMRQPLJMSA-N 0 0 346.427 2.825 10 10 EFCERN C[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)c1ccccc1O ZINC001648892406 1102555598 /nfs/dbraw/zinc/55/55/98/1102555598.db2.gz ZLOQYMQGGDBFOO-SNVBAGLBSA-N 0 0 331.372 2.562 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2)CC1 ZINC000780496781 1102556857 /nfs/dbraw/zinc/55/68/57/1102556857.db2.gz UIUKQGXWABYKDV-GUDVDZBRSA-N 0 0 328.456 2.964 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnc(C(C)C)s1 ZINC000935945600 1103393323 /nfs/dbraw/zinc/39/33/23/1103393323.db2.gz DCTDYVNLJBIZJM-UHFFFAOYSA-N 0 0 326.418 2.783 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H]2COc2cccnc2C)c(O)c1O ZINC000841471115 1104016119 /nfs/dbraw/zinc/01/61/19/1104016119.db2.gz KOHDBSORKFHROQ-CQSZACIVSA-N 0 0 342.395 2.793 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1C ZINC001670850494 1104742001 /nfs/dbraw/zinc/74/20/01/1104742001.db2.gz KVGLUAMMNOEUJY-YJBOKZPZSA-N 0 0 346.471 2.557 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1COC(C)(C)OC1 ZINC001671504721 1105647917 /nfs/dbraw/zinc/64/79/17/1105647917.db2.gz FABSMPGPOCHUJO-UHFFFAOYSA-N 0 0 347.459 2.580 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCC3(CCC(O)CC3)CC2)cc1 ZINC000841956129 1106039062 /nfs/dbraw/zinc/03/90/62/1106039062.db2.gz WDHSHHBMJCFUQF-UHFFFAOYSA-N 0 0 331.460 2.538 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000841955677 1106041605 /nfs/dbraw/zinc/04/16/05/1106041605.db2.gz JSRYRMPZJLNRNT-KURKYZTESA-N 0 0 331.460 2.536 10 10 EFCERN COc1ccccc1CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956860 1106042518 /nfs/dbraw/zinc/04/25/18/1106042518.db2.gz KWSHWCUJCWBSOQ-UHFFFAOYSA-N 0 0 327.428 2.704 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCn3c(cc4ccccc43)C2)cc1 ZINC000841956203 1106043566 /nfs/dbraw/zinc/04/35/66/1106043566.db2.gz YMJWZUHDBZKZBN-UHFFFAOYSA-N 0 0 334.423 2.991 10 10 EFCERN C[C@H]1[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000925318331 1106047402 /nfs/dbraw/zinc/04/74/02/1106047402.db2.gz FKHOJGWTMNIARP-KBXCAEBGSA-N 0 0 330.476 2.519 10 10 EFCERN COC(=O)C(C)(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897730458 1106081883 /nfs/dbraw/zinc/08/18/83/1106081883.db2.gz NURZQULMYXLXIG-UHFFFAOYSA-N 0 0 337.397 2.632 10 10 EFCERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897734628 1106083555 /nfs/dbraw/zinc/08/35/55/1106083555.db2.gz MEFCRYAYZKVWNV-HJUYICMPSA-N 0 0 345.420 2.808 10 10 EFCERN COC(=O)c1cnc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001673799761 1106086490 /nfs/dbraw/zinc/08/64/90/1106086490.db2.gz UORPPDMIXNLUTD-VHSXEESVSA-N 0 0 349.412 2.757 10 10 EFCERN Cc1cnn([C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)c1 ZINC000897805602 1106102605 /nfs/dbraw/zinc/10/26/05/1106102605.db2.gz JMLQCRATLWVMAB-GFCCVEGCSA-N 0 0 343.408 2.905 10 10 EFCERN CC1(C)CCC[C@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897849905 1106117406 /nfs/dbraw/zinc/11/74/06/1106117406.db2.gz KYZGINIGSGAALA-KRWDZBQOSA-N 0 0 335.425 2.984 10 10 EFCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2COC[C@@H]21 ZINC000897939941 1106161011 /nfs/dbraw/zinc/16/10/11/1106161011.db2.gz VTMLWFMGGRFIBE-WDEREUQCSA-N 0 0 333.409 2.810 10 10 EFCERN CO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897960853 1106167836 /nfs/dbraw/zinc/16/78/36/1106167836.db2.gz DKNAKQYEPNVMCJ-HUUCEWRRSA-N 0 0 333.409 3.000 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cncc2[nH]cnc21 ZINC000897983898 1106185587 /nfs/dbraw/zinc/18/55/87/1106185587.db2.gz NPIIUKFQUCUYIK-CYBMUJFWSA-N 0 0 337.427 2.693 10 10 EFCERN CN(Cc1noc(C2CC2)n1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897986416 1106186528 /nfs/dbraw/zinc/18/65/28/1106186528.db2.gz YNSWJRWKCINCKN-UHFFFAOYSA-N 0 0 345.380 2.845 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(OCC(F)(F)F)cc1 ZINC001142533826 1106239613 /nfs/dbraw/zinc/23/96/13/1106239613.db2.gz SDQSABBNFZJWAY-UHFFFAOYSA-N 0 0 341.285 2.969 10 10 EFCERN C[C@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccccc1O ZINC001674757234 1106251577 /nfs/dbraw/zinc/25/15/77/1106251577.db2.gz GOPWWXWKPVEURV-ZDUSSCGKSA-N 0 0 333.432 2.578 10 10 EFCERN Cc1cc(CNC(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001675115393 1106303117 /nfs/dbraw/zinc/30/31/17/1106303117.db2.gz MUHWKOALZYWFHU-MAEOIBBWSA-N 0 0 327.428 2.725 10 10 EFCERN C[C@H](CNC(=O)NCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC001676403243 1106525532 /nfs/dbraw/zinc/52/55/32/1106525532.db2.gz QJSQEPPOXQONSB-GFCCVEGCSA-N 0 0 329.356 2.903 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001679448679 1107576805 /nfs/dbraw/zinc/57/68/05/1107576805.db2.gz WXCVTRVCHMYUGF-QCZZGDTMSA-N 0 0 326.824 2.904 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2ccccc2-n2cccn2)c1 ZINC001680748386 1108056128 /nfs/dbraw/zinc/05/61/28/1108056128.db2.gz IBYKJKFRKPNHLJ-UHFFFAOYSA-N 0 0 336.395 2.886 10 10 EFCERN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926960592 1108292605 /nfs/dbraw/zinc/29/26/05/1108292605.db2.gz GABRLBCOKDWFOB-ZANVPECISA-N 0 0 335.326 2.834 10 10 EFCERN CCCC(=O)N(CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001681727919 1108401970 /nfs/dbraw/zinc/40/19/70/1108401970.db2.gz SGZUUUGJBHAHJW-GFCCVEGCSA-N 0 0 347.419 2.616 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)C2)cc1 ZINC001682645340 1108624250 /nfs/dbraw/zinc/62/42/50/1108624250.db2.gz CZXLYRNMPLCGDH-LKKZHYCFSA-N 0 0 343.471 2.865 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1ncsc1Br ZINC000699073705 1108689880 /nfs/dbraw/zinc/68/98/80/1108689880.db2.gz RINPNPCHGIRYIV-UHFFFAOYSA-N 0 0 327.203 2.883 10 10 EFCERN CN1CCN(C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)CC1 ZINC000096893680 1108766460 /nfs/dbraw/zinc/76/64/60/1108766460.db2.gz RPAVUNYNYLTWQD-FLIBITNWSA-N 0 0 327.472 2.854 10 10 EFCERN CN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1N1CCCC1 ZINC001126840517 1108799122 /nfs/dbraw/zinc/79/91/22/1108799122.db2.gz HWISSSVKDGDOMB-SREVYHEPSA-N 0 0 326.375 2.892 10 10 EFCERN O=C(NCc1cc2n(n1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000898389463 1108912823 /nfs/dbraw/zinc/91/28/23/1108912823.db2.gz NLXTYIMNCTWLIU-UHFFFAOYSA-N 0 0 343.408 2.775 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cncc(F)c3Cl)C2)cc1 ZINC000898580371 1109020352 /nfs/dbraw/zinc/02/03/52/1109020352.db2.gz JCDKDCRZCBMUFC-LLVKDONJSA-N 0 0 349.793 2.891 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000898585328 1109023985 /nfs/dbraw/zinc/02/39/85/1109023985.db2.gz SPUASAYPLNOCTG-ADEWGFFLSA-N 0 0 333.409 2.546 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000898625599 1109034824 /nfs/dbraw/zinc/03/48/24/1109034824.db2.gz JGEFLUKQSXXYFU-LLLHUVSDSA-N 0 0 344.455 2.539 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]23C[C@H]2COC32CCC2)c1 ZINC000898686337 1109055814 /nfs/dbraw/zinc/05/58/14/1109055814.db2.gz PKWFLLATIAAXIP-FHSNZYRGSA-N 0 0 346.427 2.720 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)NC[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898689841 1109057783 /nfs/dbraw/zinc/05/77/83/1109057783.db2.gz CZSPBXFTCVGQLT-QFBILLFUSA-N 0 0 343.471 2.853 10 10 EFCERN COC(=O)C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898785719 1109083787 /nfs/dbraw/zinc/08/37/87/1109083787.db2.gz CISCYYQNZILDBY-NSHDSACASA-N 0 0 349.408 2.632 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCc2n[nH]cc2C1 ZINC000899022554 1109179842 /nfs/dbraw/zinc/17/98/42/1109179842.db2.gz ALPAHHGOJOIGMJ-UHFFFAOYSA-N 0 0 329.381 2.624 10 10 EFCERN Cc1csc(C[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 ZINC000899543966 1109380133 /nfs/dbraw/zinc/38/01/33/1109380133.db2.gz GAUKELYQABQXQY-GFCCVEGCSA-N 0 0 332.425 2.958 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000153367842 1111380775 /nfs/dbraw/zinc/38/07/75/1111380775.db2.gz QEKCVPXDLIINDP-UHFFFAOYSA-N 0 0 332.323 2.774 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000182546841 1118625012 /nfs/dbraw/zinc/62/50/12/1118625012.db2.gz HQRJTTNDENZOMF-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2cn3ccsc3n2)cc1 ZINC000183813818 1118782098 /nfs/dbraw/zinc/78/20/98/1118782098.db2.gz XLLJLXKBXZDLAT-UHFFFAOYSA-N 0 0 331.397 2.584 10 10 EFCERN CCOc1cc(O)ccc1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000901662406 1119612325 /nfs/dbraw/zinc/61/23/25/1119612325.db2.gz ZFRIASOVBLTHHV-UHFFFAOYSA-N 0 0 347.436 2.948 10 10 EFCERN COC(=O)[C@H](C)NC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228572 201771409 /nfs/dbraw/zinc/77/14/09/201771409.db2.gz UNBPBRUVAQOXPZ-AWEZNQCLSA-N 0 0 343.427 2.763 10 10 EFCERN O=C(NC1=N[C@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccccc1 ZINC000020530697 202047734 /nfs/dbraw/zinc/04/77/34/202047734.db2.gz JCTUSYXJOTWCSM-AWEZNQCLSA-N 0 0 327.771 2.687 10 10 EFCERN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cc(F)cc1F ZINC000095939113 299294235 /nfs/dbraw/zinc/29/42/35/299294235.db2.gz CXCQZQPSKLONPX-XQQFMLRXSA-N 0 0 328.403 2.820 10 10 EFCERN O=C([O-])CC[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000069434510 202282961 /nfs/dbraw/zinc/28/29/61/202282961.db2.gz QJPBJLFBNSNEIT-UHFFFAOYSA-N 0 0 332.322 2.618 10 10 EFCERN COc1ccc(N(CCCOc2ccc(F)cc2)CCC(N)=O)cc1 ZINC000027387568 212555498 /nfs/dbraw/zinc/55/54/98/212555498.db2.gz YRFFDWZGJORUOV-UHFFFAOYSA-N 0 0 346.402 2.985 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159086312 239020438 /nfs/dbraw/zinc/02/04/38/239020438.db2.gz GAXREDDTLPBCMW-NHYWBVRUSA-N 0 0 340.379 2.622 10 10 EFCERN COc1cccc(CNS(=O)(=O)c2cc(C)sc2C)c1O ZINC000161103366 239060995 /nfs/dbraw/zinc/06/09/95/239060995.db2.gz IEYDRGWTZCNWBH-UHFFFAOYSA-N 0 0 327.427 2.558 10 10 EFCERN Nc1ccc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000162882474 239097392 /nfs/dbraw/zinc/09/73/92/239097392.db2.gz YWVWGCDHTKSVCT-JKSUJKDBSA-N 0 0 330.453 2.988 10 10 EFCERN Nc1ccc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000162882675 239098369 /nfs/dbraw/zinc/09/83/69/239098369.db2.gz YWVWGCDHTKSVCT-HZPDHXFCSA-N 0 0 330.453 2.988 10 10 EFCERN O=C(NCCC1=CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000164320465 239114360 /nfs/dbraw/zinc/11/43/60/239114360.db2.gz OAMSAVDEHBSLSI-UHFFFAOYSA-N 0 0 347.434 2.962 10 10 EFCERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000170714108 239129737 /nfs/dbraw/zinc/12/97/37/239129737.db2.gz YRPSFWYMLQYSMU-OAHLLOKOSA-N 0 0 341.411 2.514 10 10 EFCERN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000171234690 239139879 /nfs/dbraw/zinc/13/98/79/239139879.db2.gz WMZAKKSPAHTMMY-HNNXBMFYSA-N 0 0 329.444 2.963 10 10 EFCERN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 ZINC000096878965 201377943 /nfs/dbraw/zinc/37/79/43/201377943.db2.gz WQEPXSYVDXNNHF-WAYWQWQTSA-N 0 0 338.319 2.926 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1cccc(F)c1 ZINC000177439894 239372963 /nfs/dbraw/zinc/37/29/63/239372963.db2.gz XVAWWJWJMVMYPL-HNNXBMFYSA-N 0 0 337.416 2.502 10 10 EFCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1COc2ccccc21 ZINC000180877757 239504742 /nfs/dbraw/zinc/50/47/42/239504742.db2.gz SPBAFEIVGCGUPD-SYFYSMEQSA-N 0 0 325.364 2.792 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Nc2nccs2)CC1 ZINC000190377443 239912133 /nfs/dbraw/zinc/91/21/33/239912133.db2.gz LWAQQRMYFMEWJT-DUXPYHPUSA-N 0 0 345.424 2.671 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192983336 240078630 /nfs/dbraw/zinc/07/86/30/240078630.db2.gz OHFXEYVAWJWFAW-RKDXNWHRSA-N 0 0 327.215 2.956 10 10 EFCERN CCO[C@H]1C[C@@](NCc2ccc(N(C)C)cc2)(C(=O)OC)C1(C)C ZINC000193572024 240113352 /nfs/dbraw/zinc/11/33/52/240113352.db2.gz FXHGMPOVNAQBFR-QFBILLFUSA-N 0 0 334.460 2.589 10 10 EFCERN CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000194930382 240186627 /nfs/dbraw/zinc/18/66/27/240186627.db2.gz FLYUIVUPGJQAFN-OAHLLOKOSA-N 0 0 329.448 2.581 10 10 EFCERN CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(N)cc3)CC2=O)cc1 ZINC000237401727 240244112 /nfs/dbraw/zinc/24/41/12/240244112.db2.gz AILSYXANLBFUIQ-LBPRGKRZSA-N 0 0 341.436 2.982 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251546789 240304970 /nfs/dbraw/zinc/30/49/70/240304970.db2.gz DWUNFNNPSDOEDN-LESCRADOSA-N 0 0 330.428 2.638 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000251588777 240305170 /nfs/dbraw/zinc/30/51/70/240305170.db2.gz FKQGXKCSECHQJM-KSZLIROESA-N 0 0 331.460 2.900 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245745467 240258990 /nfs/dbraw/zinc/25/89/90/240258990.db2.gz CQFSEPXUPAIINU-KZNAEPCWSA-N 0 0 343.471 2.852 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245732201 240259411 /nfs/dbraw/zinc/25/94/11/240259411.db2.gz QINCJIBCDWBLRA-OGXFTGOJSA-N 0 0 329.396 2.575 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000247233860 240277620 /nfs/dbraw/zinc/27/76/20/240277620.db2.gz ZKDLMWQMWDIWPZ-KBRIMQKVSA-N 0 0 346.427 2.548 10 10 EFCERN COc1ccc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000248000647 240287653 /nfs/dbraw/zinc/28/76/53/240287653.db2.gz AMWVRPRIWQAVOQ-UHFFFAOYSA-N 0 0 334.851 2.713 10 10 EFCERN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O ZINC000248897905 240296812 /nfs/dbraw/zinc/29/68/12/240296812.db2.gz VTVQTOXKTFBPHZ-RRFJBIMHSA-N 0 0 341.835 2.823 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccoc1C1CC1 ZINC000281159883 240915157 /nfs/dbraw/zinc/91/51/57/240915157.db2.gz HCHHNWDPLKCIDY-UHFFFAOYSA-N 0 0 326.396 2.924 10 10 EFCERN COc1cccc(CNS(=O)(=O)Cc2ccc(C)c(C)c2)c1O ZINC000288322488 241007486 /nfs/dbraw/zinc/00/74/86/241007486.db2.gz LEZFGVQNOWJHBB-UHFFFAOYSA-N 0 0 335.425 2.637 10 10 EFCERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO1 ZINC000290940151 241024507 /nfs/dbraw/zinc/02/45/07/241024507.db2.gz FWBLEVPUGQWJIS-GFCCVEGCSA-N 0 0 341.358 2.604 10 10 EFCERN COC(=O)[C@@H](CF)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296059719 241074353 /nfs/dbraw/zinc/07/43/53/241074353.db2.gz PEZXTJTUBXBWGI-MRXNPFEDSA-N 0 0 336.432 2.985 10 10 EFCERN COc1ccc(N2CCN(Cc3nnc(C(C)C)s3)CC2)cc1 ZINC000296233413 241078397 /nfs/dbraw/zinc/07/83/97/241078397.db2.gz DZFDVDDZPIMZQO-UHFFFAOYSA-N 0 0 332.473 2.992 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000294705721 241050928 /nfs/dbraw/zinc/05/09/28/241050928.db2.gz OJXPXDDITHGDPZ-KRWDZBQOSA-N 0 0 337.778 2.945 10 10 EFCERN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484071 241054627 /nfs/dbraw/zinc/05/46/27/241054627.db2.gz XFVQEDWOYFSYNW-HOTGVXAUSA-N 0 0 343.826 2.937 10 10 EFCERN Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000299032643 241164055 /nfs/dbraw/zinc/16/40/55/241164055.db2.gz DSULWQKYDLMPRH-CQSZACIVSA-N 0 0 337.427 2.813 10 10 EFCERN Cc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301715374 241190520 /nfs/dbraw/zinc/19/05/20/241190520.db2.gz ZZDCPWMXYGQXHM-UHFFFAOYSA-N 0 0 327.340 2.871 10 10 EFCERN CO[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccc(O)cc1 ZINC000361493772 242225450 /nfs/dbraw/zinc/22/54/50/242225450.db2.gz CIBSDDDFFNRWEC-SFHVURJKSA-N 0 0 342.395 2.571 10 10 EFCERN CN(C)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363187289 242275576 /nfs/dbraw/zinc/27/55/76/242275576.db2.gz KFHKDHGSZBVYGW-LLVKDONJSA-N 0 0 331.338 2.683 10 10 EFCERN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566490 242357439 /nfs/dbraw/zinc/35/74/39/242357439.db2.gz AGYFSIOVQDEFKB-CRAIPNDOSA-N 0 0 337.391 2.504 10 10 EFCERN Cc1noc(C2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000364993362 242312478 /nfs/dbraw/zinc/31/24/78/242312478.db2.gz HMLFKUVFHDIQRD-YCRREMRBSA-N 0 0 343.383 2.645 10 10 EFCERN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1[O-] ZINC000367616382 242386304 /nfs/dbraw/zinc/38/63/04/242386304.db2.gz OBJCRSOPAXURDW-WMLDXEAASA-N 0 0 332.423 2.975 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]2(C1)CCCOC2 ZINC000367415382 284005995 /nfs/dbraw/zinc/00/59/95/284005995.db2.gz MWHWTZBXJIRZEM-FQEVSTJZSA-N 0 0 343.471 2.999 10 10 EFCERN COCCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000069439290 203000582 /nfs/dbraw/zinc/00/05/82/203000582.db2.gz IDOPVSLGRIGOJT-UHFFFAOYSA-N 0 0 346.349 2.707 10 10 EFCERN Cc1cc(CNC(=O)CN(C)C(=O)c2cccs2)ccc1N(C)C ZINC000069842642 203055352 /nfs/dbraw/zinc/05/53/52/203055352.db2.gz JOQQPJHSBKGYNJ-UHFFFAOYSA-N 0 0 345.468 2.511 10 10 EFCERN CN(c1ccc(N)cc1)S(=O)(=O)c1cccc(Br)c1 ZINC000020475461 212136130 /nfs/dbraw/zinc/13/61/30/212136130.db2.gz MQVSNYLSWDNWLN-UHFFFAOYSA-N 0 0 341.230 2.856 10 10 EFCERN COc1ccc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c(O)c1 ZINC000089534642 203580419 /nfs/dbraw/zinc/58/04/19/203580419.db2.gz IWMIOFPLBGQCCI-UHFFFAOYSA-N 0 0 345.355 2.678 10 10 EFCERN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]C1CCCC1 ZINC000101842239 204024493 /nfs/dbraw/zinc/02/44/93/204024493.db2.gz GSSBSBVUFILVBC-QGOAFFKASA-N 0 0 341.411 2.759 10 10 EFCERN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100572806 206248703 /nfs/dbraw/zinc/24/87/03/206248703.db2.gz MMEOSEHSMKAOOM-GXDHUFHOSA-N 0 0 333.351 2.575 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000365699755 296253790 /nfs/dbraw/zinc/25/37/90/296253790.db2.gz FERLTRGAEXUOGN-IBGZPJMESA-N 0 0 325.364 2.760 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000167539602 533125488 /nfs/dbraw/zinc/12/54/88/533125488.db2.gz CIFIYZPPIMSKMG-RRFAQUSLSA-N 0 0 346.383 2.786 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)c1O ZINC000157033181 533502116 /nfs/dbraw/zinc/50/21/16/533502116.db2.gz MPPGAHQVAZOJTJ-NSHDSACASA-N 0 0 330.388 2.890 10 10 EFCERN C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccccc1O ZINC000186662408 533560313 /nfs/dbraw/zinc/56/03/13/533560313.db2.gz YQJCWIYNYWESFU-GFCCVEGCSA-N 0 0 332.425 2.887 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(C)ccc3O)CC2)cc1 ZINC000042047480 132813748 /nfs/dbraw/zinc/81/37/48/132813748.db2.gz FZBMZRFJCSVYDT-UHFFFAOYSA-N 0 0 326.396 2.672 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040011 544539866 /nfs/dbraw/zinc/53/98/66/544539866.db2.gz ZEGZERWWGFGIEA-ROUUACIJSA-N 0 0 330.428 2.670 10 10 EFCERN COC(=O)C=Cc1ccc(N2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000278811587 277047893 /nfs/dbraw/zinc/04/78/93/277047893.db2.gz ZLBJNVIQODJGAY-VSKVDJIOSA-N 0 0 342.355 2.846 10 10 EFCERN CN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(N)C1=O ZINC000000975176 277215922 /nfs/dbraw/zinc/21/59/22/277215922.db2.gz AWCRBBPZWVSPMU-CSKARUKUSA-N 0 0 329.859 2.785 10 10 EFCERN COc1ccc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000265168145 277417787 /nfs/dbraw/zinc/41/77/87/277417787.db2.gz GPBDRKCQPOSOAH-UHFFFAOYSA-N 0 0 328.372 2.633 10 10 EFCERN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273387049 278669986 /nfs/dbraw/zinc/66/99/86/278669986.db2.gz JTNDRFBVXIEFGT-LBPRGKRZSA-N 0 0 335.404 2.598 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC=C(c4ccco4)C3)cc2N1 ZINC000367430011 280267349 /nfs/dbraw/zinc/26/73/49/280267349.db2.gz LVLITVOJXRIORL-UHFFFAOYSA-N 0 0 341.323 2.812 10 10 EFCERN Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(Cl)c3)=N2)cc1 ZINC000020135597 280995185 /nfs/dbraw/zinc/99/51/85/280995185.db2.gz PHKFTISIVLWHSE-OAHLLOKOSA-N 0 0 341.798 2.995 10 10 EFCERN COc1ccc(O)c([C@@H](C)N[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000273367682 295167361 /nfs/dbraw/zinc/16/73/61/295167361.db2.gz BUPCAHUINADAPQ-ABAIWWIYSA-N 0 0 333.409 2.580 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528855697 316739038 /nfs/dbraw/zinc/73/90/38/316739038.db2.gz SUMFPYCCYVXYQB-LLVKDONJSA-N 0 0 339.317 2.801 10 10 EFCERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)c1 ZINC000111426404 473212085 /nfs/dbraw/zinc/21/20/85/473212085.db2.gz NTQVVBFDEVIULW-GOSISDBHSA-N 0 0 341.459 2.804 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC000124925719 473326676 /nfs/dbraw/zinc/32/66/76/473326676.db2.gz APCIMSJMMSSXTN-LBPRGKRZSA-N 0 0 342.443 2.733 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1C ZINC000190658629 473351837 /nfs/dbraw/zinc/35/18/37/473351837.db2.gz AIZUMJYUHMWKOQ-KSSFIOAISA-N 0 0 331.460 2.635 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000150858172 473367833 /nfs/dbraw/zinc/36/78/33/473367833.db2.gz HWEUXPJEBVTYFL-UHFFFAOYSA-N 0 0 346.377 2.865 10 10 EFCERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000190743383 473380969 /nfs/dbraw/zinc/38/09/69/473380969.db2.gz AJMCSUUPASBQBF-LJQANCHMSA-N 0 0 341.411 2.657 10 10 EFCERN Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(F)cc1 ZINC000003350855 471443863 /nfs/dbraw/zinc/44/38/63/471443863.db2.gz HMFFOHAQUJMSID-UHFFFAOYSA-N 0 0 345.403 2.732 10 10 EFCERN CCOc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OC ZINC000005014018 471483163 /nfs/dbraw/zinc/48/31/63/471483163.db2.gz MWHGOWGUDSCKEY-FVKVSMBQSA-N 0 0 327.340 2.544 10 10 EFCERN Cc1ccc(-c2cnc(SCC(=O)NC[C@@H]3CCCO3)n2C)cc1 ZINC000010347547 471734443 /nfs/dbraw/zinc/73/44/43/471734443.db2.gz IVYFGEUFLVPLPF-HNNXBMFYSA-N 0 0 345.468 2.783 10 10 EFCERN CCN1C(=O)/C(=C\c2cc(OC)c3c(c2)OCCO3)SC1=S ZINC000014201555 471861500 /nfs/dbraw/zinc/86/15/00/471861500.db2.gz MJBAFWFAFILGGC-XYOKQWHBSA-N 0 0 337.422 2.688 10 10 EFCERN Cc1nc[nH]c1CSCCNC(=O)C1=Cc2ccccc2OC1 ZINC000015786353 471917144 /nfs/dbraw/zinc/91/71/44/471917144.db2.gz APXDLSQMBQCXCM-UHFFFAOYSA-N 0 0 329.425 2.544 10 10 EFCERN Nc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(N2CCOCC2)n1 ZINC000039158544 472023513 /nfs/dbraw/zinc/02/35/13/472023513.db2.gz KHSZSPBTVRFGTF-QZQOTICOSA-N 0 0 333.783 2.546 10 10 EFCERN COc1ccc2c(c1O)CN1CCc3cc(OC)c(O)cc3[C@H]1C2 ZINC000028465423 472226913 /nfs/dbraw/zinc/22/69/13/472226913.db2.gz KNWVMRVOBAFFMH-OAHLLOKOSA-N 0 0 327.380 2.771 10 10 in-vitro EFCERN O=C(c1ccnc2c1CC(=O)N2)N(CC1CC1)c1cccc(F)c1 ZINC000633752703 479980953 /nfs/dbraw/zinc/98/09/53/479980953.db2.gz UWUCNKHYGQZXJP-UHFFFAOYSA-N 0 0 325.343 2.772 10 10 EFCERN Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)c(C)n1-c1ccccn1 ZINC000118729974 472506231 /nfs/dbraw/zinc/50/62/31/472506231.db2.gz WEQSNLWXEZVWGH-HNNXBMFYSA-N 0 0 327.428 2.722 10 10 EFCERN COC(=O)Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000046072468 472508116 /nfs/dbraw/zinc/50/81/16/472508116.db2.gz MAVWGTZMWQVFRR-UHFFFAOYSA-N 0 0 341.411 2.790 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1 ZINC000097939051 472509692 /nfs/dbraw/zinc/50/96/92/472509692.db2.gz JPMOCGORONCPGE-UHFFFAOYSA-N 0 0 328.803 2.984 10 10 EFCERN O=C(NCCC1=CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000119031035 472521490 /nfs/dbraw/zinc/52/14/90/472521490.db2.gz ILBCBGALWKBKQA-UHFFFAOYSA-N 0 0 329.444 2.823 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129137238 472524557 /nfs/dbraw/zinc/52/45/57/472524557.db2.gz ORYOVHWEMBCZEH-CQSZACIVSA-N 0 0 334.416 2.608 10 10 EFCERN Cc1ccc(C)n1-c1ccc(CNS(=O)(=O)N(C)C(C)C)cc1 ZINC000058369653 472557978 /nfs/dbraw/zinc/55/79/78/472557978.db2.gz LVVLKMWOPYUKRO-UHFFFAOYSA-N 0 0 335.473 2.769 10 10 EFCERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000090223269 472609716 /nfs/dbraw/zinc/60/97/16/472609716.db2.gz SECBMYOVMLGNES-KBXCAEBGSA-N 0 0 341.459 2.609 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1cccc(C)c1 ZINC000130998133 472642373 /nfs/dbraw/zinc/64/23/73/472642373.db2.gz LRIAXDNNEKZCTD-MRXNPFEDSA-N 0 0 339.439 2.753 10 10 EFCERN C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000120624514 472720121 /nfs/dbraw/zinc/72/01/21/472720121.db2.gz ZELVSZBTMMVMHK-WDEREUQCSA-N 0 0 333.259 2.586 10 10 EFCERN CN(C)C(=O)c1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000047502575 472722306 /nfs/dbraw/zinc/72/23/06/472722306.db2.gz GKAVZMKMAJWNTG-UHFFFAOYSA-N 0 0 327.384 2.758 10 10 EFCERN O=C(C[C@@H]1CCOc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000156628187 472734812 /nfs/dbraw/zinc/73/48/12/472734812.db2.gz XOZLUXBSWTXQEL-AWEZNQCLSA-N 0 0 327.380 2.713 10 10 EFCERN COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c(O)c(Cl)c1 ZINC000048325055 472857186 /nfs/dbraw/zinc/85/71/86/472857186.db2.gz AATCJYJVBBWWLJ-INIZCTEOSA-N 0 0 348.786 2.964 10 10 EFCERN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)ccc3O)O2)cc1 ZINC000064567311 472863674 /nfs/dbraw/zinc/86/36/74/472863674.db2.gz DBMAZWCVSFZGOJ-GOSISDBHSA-N 0 0 342.351 2.649 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3cncnc3)nc2)cc1 ZINC000065178023 472906028 /nfs/dbraw/zinc/90/60/28/472906028.db2.gz GUUOACHWNLUVGA-UHFFFAOYSA-N 0 0 333.395 2.535 10 10 EFCERN COc1ccc(N2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)cc1 ZINC000065539024 472971239 /nfs/dbraw/zinc/97/12/39/472971239.db2.gz AUVIVJMGVIEGQR-GOSISDBHSA-N 0 0 347.459 2.532 10 10 EFCERN C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCO1 ZINC000065542134 472971249 /nfs/dbraw/zinc/97/12/49/472971249.db2.gz IBVJLDONDMDGRY-CJNGLKHVSA-N 0 0 345.468 2.863 10 10 EFCERN Cc1ncc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000108786420 473054351 /nfs/dbraw/zinc/05/43/51/473054351.db2.gz LCAKAWNMOPTRIS-QPJJXVBHSA-N 0 0 343.452 2.618 10 10 EFCERN COc1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)nn1C ZINC000160191485 473095223 /nfs/dbraw/zinc/09/52/23/473095223.db2.gz JPUZZTHHUXNUPW-MRXNPFEDSA-N 0 0 345.443 2.624 10 10 EFCERN CCC(CC)NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466297 473109547 /nfs/dbraw/zinc/10/95/47/473109547.db2.gz DVPBQUJVUKYNRV-UHFFFAOYSA-N 0 0 333.476 2.512 10 10 EFCERN Cc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2O)C1 ZINC000075106823 473125956 /nfs/dbraw/zinc/12/59/56/473125956.db2.gz NSCOFYNGCBJEKR-INIZCTEOSA-N 0 0 330.409 2.811 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2c2nccs2)cc1 ZINC000110611860 473166953 /nfs/dbraw/zinc/16/69/53/473166953.db2.gz ILAVPMUIHIYAQV-MRXNPFEDSA-N 0 0 344.484 2.837 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NC2CCC(O)CC2)cc1F ZINC000066927020 473176655 /nfs/dbraw/zinc/17/66/55/473176655.db2.gz LIGZKOKTHKJTIA-UHFFFAOYSA-N 0 0 337.439 2.775 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCc2n[nH]cc21 ZINC000136943274 473186826 /nfs/dbraw/zinc/18/68/26/473186826.db2.gz LTMDLHYZDWGFLZ-AWEZNQCLSA-N 0 0 325.412 2.730 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)CC(C)(C)S(C)(=O)=O ZINC000095430342 473202562 /nfs/dbraw/zinc/20/25/62/473202562.db2.gz DGGCHPBPOFOEDO-UHFFFAOYSA-N 0 0 338.517 2.932 10 10 EFCERN COc1cc(N(C)CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000125728209 473452109 /nfs/dbraw/zinc/45/21/09/473452109.db2.gz DXTZZJIPKWZRHA-UHFFFAOYSA-N 0 0 330.384 2.787 10 10 EFCERN COc1cc(N(C)C[C@@H](O)Cc2ccccc2)cc(OC)c1OC ZINC000125761702 473454662 /nfs/dbraw/zinc/45/46/62/473454662.db2.gz ASJIDVHMGICCGV-INIZCTEOSA-N 0 0 331.412 2.752 10 10 EFCERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C12CCOCC2 ZINC000185669481 473484653 /nfs/dbraw/zinc/48/46/53/473484653.db2.gz IQDDRHYVFLMBRB-IAGOWNOFSA-N 0 0 348.443 2.508 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151841785 473499299 /nfs/dbraw/zinc/49/92/99/473499299.db2.gz IUCJKWJTEAGKNB-APWZRJJASA-N 0 0 331.460 2.589 10 10 EFCERN O=C1N[C@H](CC(F)F)C(=O)N1Cc1ccc(N2CCCCC2)cc1 ZINC000170592507 473557247 /nfs/dbraw/zinc/55/72/47/473557247.db2.gz CCWVAZSBKLMLGQ-CQSZACIVSA-N 0 0 337.370 2.753 10 10 EFCERN O=C1N[C@@H](CC(F)F)C(=O)N1Cc1ccc(N2CCCCC2)cc1 ZINC000170592506 473557535 /nfs/dbraw/zinc/55/75/35/473557535.db2.gz CCWVAZSBKLMLGQ-AWEZNQCLSA-N 0 0 337.370 2.753 10 10 EFCERN Cc1ccc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1F ZINC000170597522 473560081 /nfs/dbraw/zinc/56/00/81/473560081.db2.gz IXIYLDGEVMNURP-UHFFFAOYSA-N 0 0 341.430 2.603 10 10 EFCERN Nc1ccc(CCNC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000152510794 473571994 /nfs/dbraw/zinc/57/19/94/473571994.db2.gz XKPONGATMZSMHW-UHFFFAOYSA-N 0 0 342.424 2.672 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179173398 473646633 /nfs/dbraw/zinc/64/66/33/473646633.db2.gz HRSUPWISKRVVEM-OAHLLOKOSA-N 0 0 347.459 2.818 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000127769103 473649283 /nfs/dbraw/zinc/64/92/83/473649283.db2.gz HRHPXCWGZKXENZ-QAPCUYQASA-N 0 0 341.459 2.742 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](C)C3CCOCC3)CC2)cc1 ZINC000179332738 473674492 /nfs/dbraw/zinc/67/44/92/473674492.db2.gz LAZGQRCGVBMTLA-MRXNPFEDSA-N 0 0 346.471 2.797 10 10 EFCERN COc1cc(N(C)Cc2nnc(C(C)C)n2C)cc(OC)c1OC ZINC000172896320 473698834 /nfs/dbraw/zinc/69/88/34/473698834.db2.gz MTGOQTMJQLSYAB-UHFFFAOYSA-N 0 0 334.420 2.601 10 10 EFCERN COc1ccc(O)c(CN2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000179677504 473706680 /nfs/dbraw/zinc/70/66/80/473706680.db2.gz SOPDISMCCNRGTB-UHFFFAOYSA-N 0 0 347.459 2.561 10 10 EFCERN COc1cc(N(C)Cc2nnc(-c3ccco3)o2)cc(OC)c1OC ZINC000172990136 473720605 /nfs/dbraw/zinc/72/06/05/473720605.db2.gz HSTDUUQRRBQSSD-UHFFFAOYSA-N 0 0 345.355 2.992 10 10 EFCERN Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)nn1 ZINC000180078640 473791947 /nfs/dbraw/zinc/79/19/47/473791947.db2.gz SUOJODMZUTYHGJ-UHFFFAOYSA-N 0 0 332.835 2.856 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000180109416 473802553 /nfs/dbraw/zinc/80/25/53/473802553.db2.gz YFOFLUYDLUFLIM-KRWDZBQOSA-N 0 0 347.438 2.672 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccnc4ccncc43)ccc21 ZINC000187044412 473807206 /nfs/dbraw/zinc/80/72/06/473807206.db2.gz VOSIUMHHJNXIBY-UHFFFAOYSA-N 0 0 332.407 2.942 10 10 EFCERN Cc1cc(Cl)cc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180245532 473836994 /nfs/dbraw/zinc/83/69/94/473836994.db2.gz JARMJBFQKQTXFZ-NSHDSACASA-N 0 0 331.865 2.752 10 10 EFCERN CN1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217328 473839120 /nfs/dbraw/zinc/83/91/20/473839120.db2.gz IGQWJCVHCYVTAM-HOCLYGCPSA-N 0 0 348.349 2.551 10 10 EFCERN FC(F)Oc1nccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000288091409 473844300 /nfs/dbraw/zinc/84/43/00/473844300.db2.gz IUETVPAFVUWKDA-UHFFFAOYSA-N 0 0 336.342 2.527 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC000187403912 473868338 /nfs/dbraw/zinc/86/83/38/473868338.db2.gz AQLKJCNUPJAFKX-MAUKXSAKSA-N 0 0 331.460 2.853 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC000187403890 473868524 /nfs/dbraw/zinc/86/85/24/473868524.db2.gz AQLKJCNUPJAFKX-CRAIPNDOSA-N 0 0 331.460 2.853 10 10 EFCERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000288290972 473899576 /nfs/dbraw/zinc/89/95/76/473899576.db2.gz NAAZPIPFLAPFRC-MRXNPFEDSA-N 0 0 332.375 2.643 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1-n1cccn1 ZINC000180987146 473996394 /nfs/dbraw/zinc/99/63/94/473996394.db2.gz MZGZWVPGLYXCND-VQHVLOKHSA-N 0 0 335.363 2.613 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CCC3(CC3)CC2)cc1 ZINC000288651365 474011911 /nfs/dbraw/zinc/01/19/11/474011911.db2.gz OIGANSISBBLZNM-UHFFFAOYSA-N 0 0 343.471 2.550 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282493133 474085474 /nfs/dbraw/zinc/08/54/74/474085474.db2.gz RHAYIXXJWTUVIJ-ABAIWWIYSA-N 0 0 329.400 2.641 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282613505 474129701 /nfs/dbraw/zinc/12/97/01/474129701.db2.gz CDSOTRUWXALVBA-QGZVFWFLSA-N 0 0 341.459 2.705 10 10 EFCERN Cc1ccc(N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)nc1 ZINC000182497051 474190029 /nfs/dbraw/zinc/19/00/29/474190029.db2.gz SAIXTBIIBPQUMG-UHFFFAOYSA-N 0 0 341.411 2.508 10 10 EFCERN Cc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)c(O)c1O ZINC000182554235 474204513 /nfs/dbraw/zinc/20/45/13/474204513.db2.gz ZHZXVASGKBARNP-UHFFFAOYSA-N 0 0 343.383 2.866 10 10 EFCERN COC(=O)C1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000182587615 474212174 /nfs/dbraw/zinc/21/21/74/474212174.db2.gz IBHUCODLMIQJCS-UHFFFAOYSA-N 0 0 344.455 2.882 10 10 EFCERN CCOc1ccc(O)c(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1 ZINC000282847092 474216030 /nfs/dbraw/zinc/21/60/30/474216030.db2.gz DBOPNIUREFZYQI-UHFFFAOYSA-N 0 0 348.468 2.991 10 10 EFCERN CCc1nnc(CNCc2cc(Br)ccc2O)s1 ZINC000289416641 474261513 /nfs/dbraw/zinc/26/15/13/474261513.db2.gz AYBUFWUNOQRWCC-UHFFFAOYSA-N 0 0 328.235 2.858 10 10 EFCERN C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000175674399 474279199 /nfs/dbraw/zinc/27/91/99/474279199.db2.gz XOOPQCXKIRGFHG-GJZGRUSLSA-N 0 0 349.450 2.992 10 10 EFCERN CC(C)[C@H](C)O[C@@H]1CC(=O)Cc2c(O)c3c(O)ccc(O)c3c(O)c21 ZINC000248291402 474288303 /nfs/dbraw/zinc/28/83/03/474288303.db2.gz TXZSCURPFKHICE-FOOGCRFISA-N 0 0 346.379 2.502 10 10 EFCERN Cc1sc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000183475331 474383474 /nfs/dbraw/zinc/38/34/74/474383474.db2.gz SRQYIMMELYGJNK-MRVPVSSYSA-N 0 0 336.369 2.737 10 10 EFCERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccc2O)ncn1 ZINC000183596742 474396268 /nfs/dbraw/zinc/39/62/68/474396268.db2.gz SCLGBUYYILVNND-UONOGXRCSA-N 0 0 327.432 2.544 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)cc1OC ZINC000271084489 474401432 /nfs/dbraw/zinc/40/14/32/474401432.db2.gz ZDTAIQALXFQFQN-UHFFFAOYSA-N 0 0 343.383 2.939 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000183805927 474432305 /nfs/dbraw/zinc/43/23/05/474432305.db2.gz JVUVFGSYUGKHHA-UHFFFAOYSA-N 0 0 336.369 2.845 10 10 EFCERN CC1(C)SC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000283587783 474443032 /nfs/dbraw/zinc/44/30/32/474443032.db2.gz LKPAUHOILSXCEG-SNVBAGLBSA-N 0 0 345.262 2.848 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000283613216 474449791 /nfs/dbraw/zinc/44/97/91/474449791.db2.gz NXQIXROLRPIUED-MRXNPFEDSA-N 0 0 349.500 2.559 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000266863422 474506398 /nfs/dbraw/zinc/50/63/98/474506398.db2.gz SLHUTDSSDFMETO-MJGOQNOKSA-N 0 0 345.487 2.883 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)CC(C)(C)OC)cc1F ZINC000290332293 474566332 /nfs/dbraw/zinc/56/63/32/474566332.db2.gz ASPVRXKURBOFMG-UHFFFAOYSA-N 0 0 346.468 2.516 10 10 EFCERN O=c1[nH]ccc2c1C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000277076652 474577115 /nfs/dbraw/zinc/57/71/15/474577115.db2.gz RVEUOVHYKHZTAX-UHFFFAOYSA-N 0 0 335.747 2.613 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000267067500 474580604 /nfs/dbraw/zinc/58/06/04/474580604.db2.gz NQOTZTVXRPHOSE-MNZLEMJZSA-N 0 0 346.446 2.839 10 10 EFCERN CO[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000290977275 474588585 /nfs/dbraw/zinc/58/85/85/474588585.db2.gz CLOFBDOHKHABMT-IJEWVQPXSA-N 0 0 336.432 2.506 10 10 EFCERN CCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOCC1 ZINC000272174064 474603928 /nfs/dbraw/zinc/60/39/28/474603928.db2.gz GZFFYHVRYSHPIK-UHFFFAOYSA-N 0 0 332.444 2.551 10 10 EFCERN CC(=O)N(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000278248916 474605288 /nfs/dbraw/zinc/60/52/88/474605288.db2.gz MBOOLLFXDVUUJV-UHFFFAOYSA-N 0 0 343.402 2.804 10 10 EFCERN Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)n1 ZINC000291593447 474626328 /nfs/dbraw/zinc/62/63/28/474626328.db2.gz DTDOHVZXLYWXHQ-LLVKDONJSA-N 0 0 334.803 2.745 10 10 EFCERN C[NH+]1CCC(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000293101461 474813323 /nfs/dbraw/zinc/81/33/23/474813323.db2.gz ZIPZBQQIDAQSET-UHFFFAOYSA-N 0 0 341.249 2.503 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000273363784 474860488 /nfs/dbraw/zinc/86/04/88/474860488.db2.gz DPNSMXJYCCJKDA-SJKOYZFVSA-N 0 0 345.395 2.572 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000273589267 474979523 /nfs/dbraw/zinc/97/95/23/474979523.db2.gz OPZOEVGDNKFGKR-XJKSGUPXSA-N 0 0 329.396 2.606 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279567737 474980034 /nfs/dbraw/zinc/98/00/34/474980034.db2.gz QWLONVBVADIXFW-SFHVURJKSA-N 0 0 343.452 2.508 10 10 EFCERN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)NCc1ccco1 ZINC000293676652 475047602 /nfs/dbraw/zinc/04/76/02/475047602.db2.gz RCKKQQVUKLNFTO-SECBINFHSA-N 0 0 326.755 2.572 10 10 EFCERN CN(C)C(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000293726251 475050697 /nfs/dbraw/zinc/05/06/97/475050697.db2.gz WAFMVHZQFVEGFQ-UHFFFAOYSA-N 0 0 328.815 2.923 10 10 EFCERN COC(=O)c1cc(C)nc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000286191579 475056218 /nfs/dbraw/zinc/05/62/18/475056218.db2.gz QYHMLOBNXCIZMV-UHFFFAOYSA-N 0 0 344.371 2.763 10 10 EFCERN CO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000294602774 475074804 /nfs/dbraw/zinc/07/48/04/475074804.db2.gz WOLCFBRARUFHIP-IEBWSBKVSA-N 0 0 348.487 2.931 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cncc(Cl)c3)CC2)cc1 ZINC000294829458 475085061 /nfs/dbraw/zinc/08/50/61/475085061.db2.gz SFNSJQLWTPYCTM-UHFFFAOYSA-N 0 0 331.803 2.706 10 10 EFCERN Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)CO ZINC000294957402 475093827 /nfs/dbraw/zinc/09/38/27/475093827.db2.gz DMZASLQXZYKHQE-CQSZACIVSA-N 0 0 341.814 2.768 10 10 EFCERN CCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294986929 475095586 /nfs/dbraw/zinc/09/55/86/475095586.db2.gz SXYDSMITUGXSGJ-GFCCVEGCSA-N 0 0 349.855 2.974 10 10 EFCERN CCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294986939 475095743 /nfs/dbraw/zinc/09/57/43/475095743.db2.gz SXYDSMITUGXSGJ-LBPRGKRZSA-N 0 0 349.855 2.974 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C1CCCC1 ZINC000287226482 475100452 /nfs/dbraw/zinc/10/04/52/475100452.db2.gz FTEVWBQUYQKDQS-HNNXBMFYSA-N 0 0 345.487 2.796 10 10 EFCERN C[C@H](CS(C)(=O)=O)N(Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000295233659 475113952 /nfs/dbraw/zinc/11/39/52/475113952.db2.gz DDWSLSYKXCERKR-SECBINFHSA-N 0 0 335.828 2.582 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)[C@H](C)CO)c2C)cc1 ZINC000269116801 475177693 /nfs/dbraw/zinc/17/76/93/475177693.db2.gz KHIRCECZFGPINF-TZMCWYRMSA-N 0 0 330.428 2.849 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCCc4ccccc4C3)cc2N1 ZINC000301629168 476172209 /nfs/dbraw/zinc/17/22/09/476172209.db2.gz ATKATOUQEHRZID-UHFFFAOYSA-N 0 0 339.351 2.879 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC3(CCO3)CC2)c([N+](=O)[O-])c1 ZINC000374490399 476484398 /nfs/dbraw/zinc/48/43/98/476484398.db2.gz AMLSPBZRDYOPPD-HWKANZROSA-N 0 0 332.356 2.540 10 10 EFCERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCO1 ZINC000378098245 476683616 /nfs/dbraw/zinc/68/36/16/476683616.db2.gz MEQZLFZDPUJNSB-UHFFFAOYSA-N 0 0 341.358 2.604 10 10 EFCERN COc1cc(Br)cc(CN2CCO[C@@H](C3CC3)C2)c1O ZINC000375330918 476783123 /nfs/dbraw/zinc/78/31/23/476783123.db2.gz GWLDZSCNXHPPJC-CQSZACIVSA-N 0 0 342.233 2.774 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c(O)c1O ZINC000371677217 477438983 /nfs/dbraw/zinc/43/89/83/477438983.db2.gz RTQGGMXDYBCADO-GOEBONIOSA-N 0 0 327.380 2.914 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000368421588 477805154 /nfs/dbraw/zinc/80/51/54/477805154.db2.gz FFOIPRPPYCIDLZ-CYBMUJFWSA-N 0 0 327.336 2.804 10 10 EFCERN CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)N1CCCC1 ZINC000527811527 478531361 /nfs/dbraw/zinc/53/13/61/478531361.db2.gz KBRPZAYYPIHWPN-UHFFFAOYSA-N 0 0 328.815 2.923 10 10 EFCERN CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000529662461 479237504 /nfs/dbraw/zinc/23/75/04/479237504.db2.gz GUAUTAOYLXXLPZ-UHFFFAOYSA-N 0 0 342.842 2.871 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)C3CCC3)ccc21 ZINC000617305580 480159896 /nfs/dbraw/zinc/15/98/96/480159896.db2.gz QMNRJLQZGHVGHW-GOSISDBHSA-N 0 0 344.455 2.795 10 10 EFCERN COc1ncncc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O ZINC000647600113 481006045 /nfs/dbraw/zinc/00/60/45/481006045.db2.gz YZUJZEFUYPMYTM-WDZFZDKYSA-N 0 0 340.408 2.818 10 10 EFCERN COc1ccc2c(c1)CCN2C(=O)c1cccnc1-c1cnn(C)c1 ZINC000646782012 481485185 /nfs/dbraw/zinc/48/51/85/481485185.db2.gz ZGYMUTWFNFCNJK-UHFFFAOYSA-N 0 0 334.379 2.694 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)[C@H]2CCOC2)CCCC1 ZINC000649701406 482198232 /nfs/dbraw/zinc/19/82/32/482198232.db2.gz CFJNAIVPMJNAIW-AWEZNQCLSA-N 0 0 342.439 2.776 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177535482 533720873 /nfs/dbraw/zinc/72/08/73/533720873.db2.gz VYFPXIYOGCKGGL-QGZVFWFLSA-N 0 0 335.411 2.951 10 10 EFCERN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000185407700 533997109 /nfs/dbraw/zinc/99/71/09/533997109.db2.gz MNJRRBWEMVQRAB-SUMWQHHRSA-N 0 0 330.403 2.881 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](C)C3CCOCC3)CC2)cc1 ZINC000179332728 534001741 /nfs/dbraw/zinc/00/17/41/534001741.db2.gz LAZGQRCGVBMTLA-INIZCTEOSA-N 0 0 346.471 2.797 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159086429 534011419 /nfs/dbraw/zinc/01/14/19/534011419.db2.gz GAXREDDTLPBCMW-IAQYHMDHSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000122688384 534457396 /nfs/dbraw/zinc/45/73/96/534457396.db2.gz SCMWKAMYRUWYGC-UHFFFAOYSA-N 0 0 329.400 2.841 10 10 EFCERN Cc1cncc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000153441313 534673602 /nfs/dbraw/zinc/67/36/02/534673602.db2.gz NSEKCXAHOAYDEA-QPJJXVBHSA-N 0 0 337.423 2.556 10 10 EFCERN COC(=O)CCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000275308347 536445594 /nfs/dbraw/zinc/44/55/94/536445594.db2.gz OKWKKSOOOBTTRO-MRXNPFEDSA-N 0 0 349.427 2.633 10 10 EFCERN Cc1ncc(CNC(=O)NCCCSc2nccs2)s1 ZINC000089730117 527264081 /nfs/dbraw/zinc/26/40/81/527264081.db2.gz QLVDOSRRZMGEQU-UHFFFAOYSA-N 0 0 328.488 2.890 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnccn2)cc1 ZINC000172277722 528300369 /nfs/dbraw/zinc/30/03/69/528300369.db2.gz FATQQMCREUGUDQ-UHFFFAOYSA-N 0 0 327.432 2.664 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000296221148 535260080 /nfs/dbraw/zinc/26/00/80/535260080.db2.gz WVVZKDPNKOGVMY-YJBOKZPZSA-N 0 0 335.444 2.963 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000296771364 535686778 /nfs/dbraw/zinc/68/67/78/535686778.db2.gz RJLTZXZQBJLXCM-WMLDXEAASA-N 0 0 340.489 2.520 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)ccc21 ZINC000247663578 536395975 /nfs/dbraw/zinc/39/59/75/536395975.db2.gz XTSKEZJPEUXDCQ-LMMKCTJWSA-N 0 0 343.471 2.826 10 10 EFCERN CN(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264602189 536443607 /nfs/dbraw/zinc/44/36/07/536443607.db2.gz CXVCOYWWRFTKCL-QPGLYAHGSA-N 0 0 344.455 2.564 10 10 EFCERN COc1ccc(N2CCN(c3nc(C)nc4c3CCCC4)CC2)cc1 ZINC000302035512 536701833 /nfs/dbraw/zinc/70/18/33/536701833.db2.gz FHEVYZDYAMZGCM-UHFFFAOYSA-N 0 0 338.455 2.999 10 10 EFCERN COC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nn1 ZINC000367397320 536729702 /nfs/dbraw/zinc/72/97/02/536729702.db2.gz SWKGKSHMDDEHIX-UHFFFAOYSA-N 0 0 330.775 2.605 10 10 EFCERN COc1cc(O)c(CN[C@H](C)c2nnc3n2CCCCC3)cc1OC ZINC000361985876 536856986 /nfs/dbraw/zinc/85/69/86/536856986.db2.gz LPKWBTICDLYFMY-GFCCVEGCSA-N 0 0 346.431 2.578 10 10 EFCERN CN(C)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046642 545651231 /nfs/dbraw/zinc/65/12/31/545651231.db2.gz XEWKYZAVXPHKMG-INIZCTEOSA-N 0 0 344.377 2.763 10 10 EFCERN COc1cc(C)cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000754726688 575478426 /nfs/dbraw/zinc/47/84/26/575478426.db2.gz RYBUZXMWGADAJR-UHFFFAOYSA-N 0 0 334.460 2.790 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2cnn3ccccc23)c2ccccc21 ZINC000755411786 575584157 /nfs/dbraw/zinc/58/41/57/575584157.db2.gz UHEGBHWULVZMTQ-LFIBNONCSA-N 0 0 347.374 2.785 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2scnc2C)c2ccccc21 ZINC000755607275 575607309 /nfs/dbraw/zinc/60/73/09/575607309.db2.gz WCIBOTHUJRZGPG-MDWZMJQESA-N 0 0 328.393 2.902 10 10 EFCERN Cc1cc(C(=O)OCCOC2CCOCC2)c(C)n1-c1ccccn1 ZINC000755943537 575660551 /nfs/dbraw/zinc/66/05/51/575660551.db2.gz RBKXUFJCOUTZQP-UHFFFAOYSA-N 0 0 344.411 2.842 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000756035546 575674634 /nfs/dbraw/zinc/67/46/34/575674634.db2.gz VFYRKWJXYHTLOG-UHFFFAOYSA-N 0 0 348.790 2.954 10 10 EFCERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000756126419 575689669 /nfs/dbraw/zinc/68/96/69/575689669.db2.gz HENARYFSTDFLBD-PIEIZJNZSA-N 0 0 334.372 2.785 10 10 EFCERN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccn(C)n1 ZINC000756420271 575735759 /nfs/dbraw/zinc/73/57/59/575735759.db2.gz DJYKTPIGARXUOG-INIZCTEOSA-N 0 0 332.423 2.637 10 10 EFCERN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448783 575741375 /nfs/dbraw/zinc/74/13/75/575741375.db2.gz FYDVGUNTEJWHEB-RRAGMBSWSA-N 0 0 346.118 2.868 10 10 EFCERN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573349 575764540 /nfs/dbraw/zinc/76/45/40/575764540.db2.gz AMZZVTSMXJOGRT-ASCAZGACSA-N 0 0 338.242 2.713 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000756596489 575766604 /nfs/dbraw/zinc/76/66/04/575766604.db2.gz DRQFLGKUKRFKTJ-ZDUSSCGKSA-N 0 0 331.416 2.882 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000756616015 575767960 /nfs/dbraw/zinc/76/79/60/575767960.db2.gz YLDFZVBDITZQLO-YPMHNXCESA-N 0 0 336.386 2.724 10 10 EFCERN Cc1cc(CCNC(=O)c2cccc(=O)n2C)c(C)n1-c1ccccc1 ZINC000756895499 575797799 /nfs/dbraw/zinc/79/77/99/575797799.db2.gz PVBKSZFRMONVOG-UHFFFAOYSA-N 0 0 349.434 2.765 10 10 EFCERN COc1cccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000757505234 575841122 /nfs/dbraw/zinc/84/11/22/575841122.db2.gz ABIPGFKMTUTZSW-UHFFFAOYSA-N 0 0 343.339 2.571 10 10 EFCERN C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(Cl)c1[O-] ZINC000757655231 575847820 /nfs/dbraw/zinc/84/78/20/575847820.db2.gz IUDWRIBEIWKCTL-SSDOTTSWSA-N 0 0 345.628 2.787 10 10 EFCERN C[C@H]([NH2+]CCCn1ccnn1)c1cc(Br)c(F)cc1[O-] ZINC000757658736 575848194 /nfs/dbraw/zinc/84/81/94/575848194.db2.gz SSMMSANKVBNRGO-VIFPVBQESA-N 0 0 343.200 2.626 10 10 EFCERN CS(=O)(=O)c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000758036585 575858597 /nfs/dbraw/zinc/85/85/97/575858597.db2.gz ZGJSLBLQPOFBGL-UHFFFAOYSA-N 0 0 349.843 2.827 10 10 EFCERN CCC[C@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000758287247 575865649 /nfs/dbraw/zinc/86/56/49/575865649.db2.gz ZVTJMJKQMJIEFD-QPBFKRLHSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccccc1O)CC2 ZINC000758467826 575870470 /nfs/dbraw/zinc/87/04/70/575870470.db2.gz LFSLDXMVGXHEHO-UHFFFAOYSA-N 0 0 345.420 2.808 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1noc(-c2ccccc2)n1 ZINC000759577581 575903854 /nfs/dbraw/zinc/90/38/54/575903854.db2.gz CATZOJNZWYSLBC-VQHVLOKHSA-N 0 0 338.319 2.904 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC(CC(F)(F)F)C2)cc1F ZINC000760164733 575985737 /nfs/dbraw/zinc/98/57/37/575985737.db2.gz LFMBLYXNPIXRII-UHFFFAOYSA-N 0 0 333.329 2.986 10 10 EFCERN C[C@@H](NC(=O)NCc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000760916450 576087326 /nfs/dbraw/zinc/08/73/26/576087326.db2.gz QYHWXCORRCACND-CYBMUJFWSA-N 0 0 337.383 2.533 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@H]1OC ZINC000761510570 576172724 /nfs/dbraw/zinc/17/27/24/576172724.db2.gz KDDHETPWVOAISW-UMVBOHGHSA-N 0 0 344.249 2.745 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000761981577 576237326 /nfs/dbraw/zinc/23/73/26/576237326.db2.gz HNIFDLMPZFNUFY-NSHDSACASA-N 0 0 338.363 2.733 10 10 EFCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnnc2)cc1 ZINC000762432929 576302346 /nfs/dbraw/zinc/30/23/46/576302346.db2.gz URJPTLSGGQPXLL-UHFFFAOYSA-N 0 0 338.333 2.747 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000762545526 576312065 /nfs/dbraw/zinc/31/20/65/576312065.db2.gz MCCJUKVGQQLIQX-UHFFFAOYSA-N 0 0 327.340 2.504 10 10 EFCERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000762921086 576347220 /nfs/dbraw/zinc/34/72/20/576347220.db2.gz PEQAOJNSIXGFRE-PWSUYJOCSA-N 0 0 340.445 2.829 10 10 EFCERN COCc1nnc(NCc2ccc(N3CCSCC3)cc2)s1 ZINC000763329020 576372880 /nfs/dbraw/zinc/37/28/80/576372880.db2.gz DGLUAHFWBNBVAE-UHFFFAOYSA-N 0 0 336.486 2.850 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@](=O)C[C@H](C)C2)c1 ZINC000763646704 576383767 /nfs/dbraw/zinc/38/37/67/576383767.db2.gz AFDSTXWCDCSBAC-WYRIXSBYSA-N 0 0 346.290 2.664 10 10 EFCERN Cc1cc(C(=O)O[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000764723451 576494407 /nfs/dbraw/zinc/49/44/07/576494407.db2.gz LDACVDHJRBVDKD-HNNXBMFYSA-N 0 0 330.359 2.621 10 10 EFCERN CC(C)(C)OCCNC(=O)NCc1cccc(Br)c1O ZINC000764767502 576500790 /nfs/dbraw/zinc/50/07/90/576500790.db2.gz BWCCAHBYVYQBJA-UHFFFAOYSA-N 0 0 345.237 2.769 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](CC(F)(F)F)C3)cc2N1 ZINC000764915487 576522905 /nfs/dbraw/zinc/52/29/05/576522905.db2.gz YLKYKEDUADWPCN-QMMMGPOBSA-N 0 0 345.277 2.704 10 10 EFCERN COCc1cncc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000765020256 576537115 /nfs/dbraw/zinc/53/71/15/576537115.db2.gz JOCYRXRAAHLYGZ-UHFFFAOYSA-N 0 0 325.412 2.540 10 10 EFCERN CN1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419945 577040532 /nfs/dbraw/zinc/04/05/32/577040532.db2.gz YZOOYSYTLQPHAY-UKRRQHHQSA-N 0 0 338.379 2.907 10 10 EFCERN COCc1ccc(C(=O)NCc2cccc(Br)c2O)o1 ZINC000765751251 577072567 /nfs/dbraw/zinc/07/25/67/577072567.db2.gz CHOCRBOUOOZIFX-UHFFFAOYSA-N 0 0 340.173 2.824 10 10 EFCERN CCn1nc(C)cc1C(=O)NCc1cccc(Br)c1O ZINC000765753784 577072909 /nfs/dbraw/zinc/07/29/09/577072909.db2.gz QFCTXFICHSDVFU-UHFFFAOYSA-N 0 0 338.205 2.610 10 10 EFCERN O=C(Cc1cccc(O)c1)NCc1cccc(Br)c1O ZINC000765756180 577073246 /nfs/dbraw/zinc/07/32/46/577073246.db2.gz KXZWRUVZDIEZSH-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(/C=C\c1cncc(O)c1)NCc1cccc(Br)c1O ZINC000765767467 577074496 /nfs/dbraw/zinc/07/44/96/577074496.db2.gz ZWPWWDLUORDQEI-PLNGDYQASA-N 0 0 349.184 2.585 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCc3ccn(C)n3)c2C)cc1 ZINC000765909130 577086235 /nfs/dbraw/zinc/08/62/35/577086235.db2.gz ALHFNQMHBKLWNR-UHFFFAOYSA-N 0 0 338.411 2.766 10 10 EFCERN CN(C)c1ccc(CN(Cc2nnnn2C(C)(C)C)C2CC2)cc1 ZINC000766109262 577109584 /nfs/dbraw/zinc/10/95/84/577109584.db2.gz JHKUIUSMLYQWSZ-UHFFFAOYSA-N 0 0 328.464 2.659 10 10 EFCERN COc1ccc(N(CC(=O)N2CCOC[C@H]2C2CC2)CC(C)C)cc1 ZINC000766247174 577126316 /nfs/dbraw/zinc/12/63/16/577126316.db2.gz CLUCSZZTOMMOQL-IBGZPJMESA-N 0 0 346.471 2.795 10 10 EFCERN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccccc2N)cc1 ZINC000767690011 577227458 /nfs/dbraw/zinc/22/74/58/577227458.db2.gz LVVHZUATAPMBGG-UHFFFAOYSA-N 0 0 347.484 2.936 10 10 EFCERN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2N)cc1 ZINC000767725405 577230448 /nfs/dbraw/zinc/23/04/48/577230448.db2.gz LGUUNDHAYKOFMT-UHFFFAOYSA-N 0 0 345.468 2.688 10 10 EFCERN COc1ccc(O)c(CNC(=O)CCC(=O)c2cccc(F)c2)c1 ZINC000767794486 577234422 /nfs/dbraw/zinc/23/44/22/577234422.db2.gz KWGILLIHWKFQIP-UHFFFAOYSA-N 0 0 331.343 2.819 10 10 EFCERN Cc1cc(CCNC(=O)N(C)[C@H](C)CO)c(C)n1-c1ccccc1 ZINC000768024369 577249738 /nfs/dbraw/zinc/24/97/38/577249738.db2.gz GQBCAYVDEZBOHY-OAHLLOKOSA-N 0 0 329.444 2.659 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCN(C(=O)COC)CC2)cc1 ZINC000768250569 577262967 /nfs/dbraw/zinc/26/29/67/577262967.db2.gz VHNWSARKWNTCFM-UHFFFAOYSA-N 0 0 347.503 2.604 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000768365369 577268778 /nfs/dbraw/zinc/26/87/78/577268778.db2.gz VFWLZCIRPVRGOZ-ROUUACIJSA-N 0 0 347.503 3.000 10 10 EFCERN COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000768448388 577274767 /nfs/dbraw/zinc/27/47/67/577274767.db2.gz BXBZPKRRWCHNBH-LJQANCHMSA-N 0 0 330.428 2.530 10 10 EFCERN C/C=C/c1ccc(OCC(=O)NCc2ccc(O)c(O)c2)c(OC)c1 ZINC000768920876 577316553 /nfs/dbraw/zinc/31/65/53/577316553.db2.gz YCXUNVPPODXWSX-ONEGZZNKSA-N 0 0 343.379 2.835 10 10 EFCERN C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000726238331 577357269 /nfs/dbraw/zinc/35/72/69/577357269.db2.gz VPQWRNJNUIAXDN-INIZCTEOSA-N 0 0 343.427 2.791 10 10 EFCERN C[C@H](NC(=O)NCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000726247452 577357720 /nfs/dbraw/zinc/35/77/20/577357720.db2.gz UCEYLDIQBPXINW-HNNXBMFYSA-N 0 0 349.475 2.699 10 10 EFCERN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499465 577367500 /nfs/dbraw/zinc/36/75/00/577367500.db2.gz YPONLTPSSOBKBG-CJNGLKHVSA-N 0 0 344.377 2.675 10 10 EFCERN O=C(COc1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000769563265 577372852 /nfs/dbraw/zinc/37/28/52/577372852.db2.gz ZLKPMASHNHQBOC-UHFFFAOYSA-N 0 0 327.380 2.672 10 10 EFCERN CCN(CC)c1ccc(CN(C)S(=O)(=O)N2CCC[C@H]2C)cc1 ZINC000770237552 577408256 /nfs/dbraw/zinc/40/82/56/577408256.db2.gz DYIOGNPHXAXVDE-OAHLLOKOSA-N 0 0 339.505 2.694 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000771637454 581229223 /nfs/dbraw/zinc/22/92/23/581229223.db2.gz YUJUCJLVHWXADJ-MRXNPFEDSA-N 0 0 345.443 2.633 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000772466021 581325980 /nfs/dbraw/zinc/32/59/80/581325980.db2.gz YBOIMJUXUPHFOF-OAHLLOKOSA-N 0 0 339.395 2.660 10 10 EFCERN CN(Cc1ccccc1O)S(=O)(=O)c1ccc2ncsc2c1 ZINC000772711569 581358566 /nfs/dbraw/zinc/35/85/66/581358566.db2.gz AGYJOXVVIDZCBT-UHFFFAOYSA-N 0 0 334.422 2.823 10 10 EFCERN C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000773010359 581387432 /nfs/dbraw/zinc/38/74/32/581387432.db2.gz UDMCHHSAOLBFRL-AWEZNQCLSA-N 0 0 335.411 2.824 10 10 EFCERN C[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000773012556 581387676 /nfs/dbraw/zinc/38/76/76/581387676.db2.gz UZAUYSDXYLNJEP-CYBMUJFWSA-N 0 0 338.411 2.685 10 10 EFCERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021149 581388620 /nfs/dbraw/zinc/38/86/20/581388620.db2.gz ZAMVDPFTYDMHCD-NSHDSACASA-N 0 0 328.372 2.855 10 10 EFCERN C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000773023810 581388927 /nfs/dbraw/zinc/38/89/27/581388927.db2.gz KLOMRLJTOGAOQU-OAHLLOKOSA-N 0 0 349.438 2.889 10 10 EFCERN C[C@H](NCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133754 581399565 /nfs/dbraw/zinc/39/95/65/581399565.db2.gz UAEGBKACLVNKDC-ZDUSSCGKSA-N 0 0 334.851 2.761 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773397964 581426894 /nfs/dbraw/zinc/42/68/94/581426894.db2.gz NVDJGWSBZFGWRZ-GXTWGEPZSA-N 0 0 329.448 2.776 10 10 EFCERN CSCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000773429463 581429785 /nfs/dbraw/zinc/42/97/85/581429785.db2.gz FQZGJLAXWHLNIR-UHFFFAOYSA-N 0 0 341.388 2.564 10 10 EFCERN COC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773741969 581460331 /nfs/dbraw/zinc/46/03/31/581460331.db2.gz YSBJPVTXHPOLCU-LLVKDONJSA-N 0 0 344.367 2.637 10 10 EFCERN COC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773741970 581460369 /nfs/dbraw/zinc/46/03/69/581460369.db2.gz YSBJPVTXHPOLCU-NSHDSACASA-N 0 0 344.367 2.637 10 10 EFCERN C[C@H](COc1ccccc1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773762279 581462667 /nfs/dbraw/zinc/46/26/67/581462667.db2.gz HFPPKJUOECLSSF-KGLIPLIRSA-N 0 0 329.396 2.860 10 10 EFCERN C[C@@H]1C[C@H]1n1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001707998778 1248811051 /nfs/dbraw/zinc/81/10/51/1248811051.db2.gz ATURHBHGINFAPD-VHDGCEQUSA-N 0 0 328.416 2.705 10 10 EFCERN COc1cc(C[NH2+]CC(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850023963 1250231777 /nfs/dbraw/zinc/23/17/77/1250231777.db2.gz LCZNQRVVXRPETA-UHFFFAOYSA-N 0 0 346.427 2.697 10 10 EFCERN COc1cccc(CNC(=O)NCc2ccc3cccnc3c2)c1O ZINC001687300438 1248210337 /nfs/dbraw/zinc/21/03/37/1248210337.db2.gz YUSDFBWFLLSEES-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850343637 1250438443 /nfs/dbraw/zinc/43/84/43/1250438443.db2.gz QMYGPTLYKFYHSI-GFCCVEGCSA-N 0 0 327.812 2.916 10 10 EFCERN CO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000850343490 1250439192 /nfs/dbraw/zinc/43/91/92/1250439192.db2.gz UCXIGWSHWPQEHC-SMDDNHRTSA-N 0 0 344.249 2.604 10 10 EFCERN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000850383333 1250456745 /nfs/dbraw/zinc/45/67/45/1250456745.db2.gz BOSHMNZJIYUYRI-CJNGLKHVSA-N 0 0 330.388 2.535 10 10 EFCERN COCc1cnc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406437 1250470142 /nfs/dbraw/zinc/47/01/42/1250470142.db2.gz GTGDTITZHWZGJN-UHFFFAOYSA-N 0 0 347.484 2.540 10 10 EFCERN CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000850413474 1250473500 /nfs/dbraw/zinc/47/35/00/1250473500.db2.gz REOWBEUFTCQBNF-UHFFFAOYSA-N 0 0 336.388 2.902 10 10 EFCERN COc1ccc(N2CC[C@H](N[C@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000850488642 1250501107 /nfs/dbraw/zinc/50/11/07/1250501107.db2.gz OICHYTQEAPDKMT-LPHOPBHVSA-N 0 0 349.438 2.771 10 10 EFCERN C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000850485480 1250502893 /nfs/dbraw/zinc/50/28/93/1250502893.db2.gz JUSKPKZXJXXJOD-LLVKDONJSA-N 0 0 331.865 2.911 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850503819 1250513878 /nfs/dbraw/zinc/51/38/78/1250513878.db2.gz ZANBBENJNSNIFD-DDFXLWFNSA-N 0 0 329.387 2.887 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850531183 1250525155 /nfs/dbraw/zinc/52/51/55/1250525155.db2.gz CNUXFKCZOBXEOD-JJMVLAAESA-N 0 0 341.354 2.644 10 10 EFCERN CC[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(F)cc1[O-] ZINC000850563415 1250535919 /nfs/dbraw/zinc/53/59/19/1250535919.db2.gz XSAKHWXNVDFCSK-HOCLYGCPSA-N 0 0 335.423 2.862 10 10 EFCERN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC[C@@H](OC)C3)C2)cc1 ZINC000851099130 1250795242 /nfs/dbraw/zinc/79/52/42/1250795242.db2.gz OFSMIHJTCCGUPV-HDMKZQKVSA-N 0 0 333.428 2.880 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N)c(C)c3)C2)cc1 ZINC000851639797 1251162484 /nfs/dbraw/zinc/16/24/84/1251162484.db2.gz LXDOHLXCPGECQT-OAHLLOKOSA-N 0 0 325.412 2.595 10 10 EFCERN CCC(CC)CCC[N@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000851709166 1251213562 /nfs/dbraw/zinc/21/35/62/1251213562.db2.gz HEAZRPLKDPIFJE-UHFFFAOYSA-N 0 0 334.420 2.781 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2ccccc2OC1 ZINC000922374167 1265863796 /nfs/dbraw/zinc/86/37/96/1265863796.db2.gz ONVCEGGUCUSQFH-CYBMUJFWSA-N 0 0 330.359 2.724 10 10 EFCERN COc1ccc(CNC(=O)c2sc3ncccc3c2N)c(O)c1 ZINC001626079651 1265912412 /nfs/dbraw/zinc/91/24/12/1265912412.db2.gz KCHGIUFZRAGPNV-UHFFFAOYSA-N 0 0 329.381 2.523 10 10 EFCERN COC(=O)CN(CCC[C@H]1CCOC1)Cc1cc(Cl)ccc1O ZINC000828062541 1257118895 /nfs/dbraw/zinc/11/88/95/1257118895.db2.gz KAPCLJGBXARQPI-ZDUSSCGKSA-N 0 0 341.835 2.837 10 10 EFCERN CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1O)C1CC1 ZINC001116755411 1261390600 /nfs/dbraw/zinc/39/06/00/1261390600.db2.gz HMFWCACLFGNXJT-ZDUSSCGKSA-N 0 0 342.233 2.894 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000923347823 1261512570 /nfs/dbraw/zinc/51/25/70/1261512570.db2.gz XRVRPNFBDFXHSL-JCURWCKSSA-N 0 0 330.334 2.808 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401872 1261612383 /nfs/dbraw/zinc/61/23/83/1261612383.db2.gz YWDNPSMDSBAYIA-AWEZNQCLSA-N 0 0 335.423 2.738 10 10 EFCERN C[C@@H]1C[C@H](C)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000791577814 1278168388 /nfs/dbraw/zinc/16/83/88/1278168388.db2.gz NEXAXDMTDKRKPT-BETUJISGSA-N 0 0 348.402 2.883 10 10 EFCERN Cc1cnn(CCOC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000791612091 1278189497 /nfs/dbraw/zinc/18/94/97/1278189497.db2.gz KYEPFEXRVORXJJ-UHFFFAOYSA-N 0 0 330.413 2.857 10 10 EFCERN Cc1nc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)no1 ZINC000922051036 1264219298 /nfs/dbraw/zinc/21/92/98/1264219298.db2.gz IFUQZXHLFHEZIF-SWLSCSKDSA-N 0 0 343.431 2.704 10 10 EFCERN C[C@H](NC(=O)c1ccccc1)C(=O)NCCCSc1nccs1 ZINC000733974962 1266797979 /nfs/dbraw/zinc/79/79/79/1266797979.db2.gz RTNGGGCFZCBVAD-LBPRGKRZSA-N 0 0 349.481 2.560 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H]3C3CC3)C2)cc1 ZINC000824682392 1278243263 /nfs/dbraw/zinc/24/32/63/1278243263.db2.gz ZLLPAVCYUQOBPA-KSSFIOAISA-N 0 0 329.444 2.715 10 10 EFCERN CC(=O)NCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000922268264 1265167646 /nfs/dbraw/zinc/16/76/46/1265167646.db2.gz PWJZILIWSVAIDK-UHFFFAOYSA-N 0 0 349.456 2.959 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC001168730695 1266480106 /nfs/dbraw/zinc/48/01/06/1266480106.db2.gz PPKARAIRPCICSO-GJZGRUSLSA-N 0 0 330.388 2.927 10 10 EFCERN CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733923964 1266783314 /nfs/dbraw/zinc/78/33/14/1266783314.db2.gz LIAFTKCCOBYQFU-OFAQMXQXSA-N 0 0 343.471 2.607 10 10 EFCERN CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733923966 1266783863 /nfs/dbraw/zinc/78/38/63/1266783863.db2.gz LIAFTKCCOBYQFU-SNGWPZLWSA-N 0 0 343.471 2.607 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc3ncn(C)c3n2)cc1 ZINC001626085360 1266823743 /nfs/dbraw/zinc/82/37/43/1266823743.db2.gz IIYJIBAEKPULTI-UHFFFAOYSA-N 0 0 337.427 2.745 10 10 EFCERN COc1cccc(C[C@H](C)NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000734068988 1266849363 /nfs/dbraw/zinc/84/93/63/1266849363.db2.gz IAIDUGQHXWYJKF-ZDUSSCGKSA-N 0 0 344.411 2.840 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cccc(-n3cncn3)c2)cc1 ZINC000734425324 1266969356 /nfs/dbraw/zinc/96/93/56/1266969356.db2.gz QWITUIBFQXAQQP-UHFFFAOYSA-N 0 0 335.411 2.606 10 10 EFCERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000922876131 1267063027 /nfs/dbraw/zinc/06/30/27/1267063027.db2.gz SQTRLDAOYVPXKO-WBVHZDCISA-N 0 0 330.359 2.643 10 10 EFCERN OC[C@H](NCc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000734847919 1267129837 /nfs/dbraw/zinc/12/98/37/1267129837.db2.gz YKOQDGCKKYGCMI-SFHVURJKSA-N 0 0 348.393 2.625 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000824858847 1278317583 /nfs/dbraw/zinc/31/75/83/1278317583.db2.gz GUEXCWPGBGUXGH-MUJYYYPQSA-N 0 0 329.444 2.715 10 10 EFCERN COC(=O)CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1 ZINC000736034174 1267483309 /nfs/dbraw/zinc/48/33/09/1267483309.db2.gz HSLLMOKSVPXBMY-QXMHVHEDSA-N 0 0 347.374 2.849 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000736653111 1267694184 /nfs/dbraw/zinc/69/41/84/1267694184.db2.gz JINRZMSBEZLDHF-AWEZNQCLSA-N 0 0 347.381 2.645 10 10 EFCERN O=C(NCc1ccccc1OC(F)(F)F)c1cccc(O)c1O ZINC000186829265 1267747704 /nfs/dbraw/zinc/74/77/04/1267747704.db2.gz DGIQFIURWMKUFV-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2ncccn2)cc1 ZINC000738298268 1268442245 /nfs/dbraw/zinc/44/22/45/1268442245.db2.gz HBLUXEPURKEBPJ-OAHLLOKOSA-N 0 0 341.459 2.782 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123659 1278418906 /nfs/dbraw/zinc/41/89/06/1278418906.db2.gz BKMUKUIYIQBUQA-JMCQJSRRSA-N 0 0 327.705 2.930 10 10 EFCERN Cc1cc(CCNC(=O)N[C@H](C)CCO)c(C)n1-c1ccccc1 ZINC000738968243 1268590829 /nfs/dbraw/zinc/59/08/29/1268590829.db2.gz CCDBTBKKIVYDIK-CQSZACIVSA-N 0 0 329.444 2.707 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2ccc3nc(C)cn3c2)c1 ZINC000738918611 1268599555 /nfs/dbraw/zinc/59/95/55/1268599555.db2.gz DAJHKYHZIISEOV-UHFFFAOYSA-N 0 0 326.356 2.679 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccc3c(c2)CCOC3)c1O ZINC000825241283 1278483154 /nfs/dbraw/zinc/48/31/54/1278483154.db2.gz PUTGVDGAOFIXPI-UHFFFAOYSA-N 0 0 328.368 2.795 10 10 EFCERN CCN1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1=O ZINC000792001665 1278498702 /nfs/dbraw/zinc/49/87/02/1278498702.db2.gz OFFDNLUSUCLDMI-UHFFFAOYSA-N 0 0 325.412 2.664 10 10 EFCERN O=C1NN(c2ccccc2)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742434410 1270061787 /nfs/dbraw/zinc/06/17/87/1270061787.db2.gz IGLQWONZNDMHMM-WJDWOHSUSA-N 0 0 330.347 2.538 10 10 EFCERN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000743559310 1270631985 /nfs/dbraw/zinc/63/19/85/1270631985.db2.gz GZCOEVWHLPFLGQ-CVEARBPZSA-N 0 0 331.460 2.853 10 10 EFCERN C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000743559313 1270632182 /nfs/dbraw/zinc/63/21/82/1270632182.db2.gz GZCOEVWHLPFLGQ-JKSUJKDBSA-N 0 0 331.460 2.853 10 10 EFCERN Cn1ccnc1C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743755927 1270740208 /nfs/dbraw/zinc/74/02/08/1270740208.db2.gz AMZKLJAKFASWRJ-CQSZACIVSA-N 0 0 327.409 2.901 10 10 EFCERN CCOP(=O)(CN(C)C(=O)c1ccc(C)c(O)c1O)OCC ZINC000843920030 1278660517 /nfs/dbraw/zinc/66/05/17/1278660517.db2.gz JSWIPLZHQKKWQY-UHFFFAOYSA-N 0 0 331.305 2.702 10 10 EFCERN COc1cccc(F)c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000746148495 1271832960 /nfs/dbraw/zinc/83/29/60/1271832960.db2.gz XOGPXXSWVHFEEY-UHFFFAOYSA-N 0 0 330.359 2.923 10 10 EFCERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000746167820 1271873124 /nfs/dbraw/zinc/87/31/24/1271873124.db2.gz JJBAXIUXQAWDII-CVEARBPZSA-N 0 0 339.439 2.899 10 10 EFCERN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000843831210 1272041436 /nfs/dbraw/zinc/04/14/36/1272041436.db2.gz NIEPEUJJJNDLQT-UHFFFAOYSA-N 0 0 335.400 2.616 10 10 EFCERN CCOC(=O)C1CCC(CC(=O)NCc2cccc(OC)c2O)CC1 ZINC000843831235 1272097926 /nfs/dbraw/zinc/09/79/26/1272097926.db2.gz NXUIFPWCJWKRBF-UHFFFAOYSA-N 0 0 349.427 2.777 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000843936445 1278686947 /nfs/dbraw/zinc/68/69/47/1278686947.db2.gz SIEGDDPPUXOYFQ-BXUZGUMPSA-N 0 0 349.427 2.846 10 10 EFCERN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844218768 1278793335 /nfs/dbraw/zinc/79/33/35/1278793335.db2.gz PVEXRHDFTFKFMO-LGVMCUBASA-N 0 0 345.399 2.756 10 10 EFCERN C[NH+](C)[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210458 1278813231 /nfs/dbraw/zinc/81/32/31/1278813231.db2.gz YDVGZSZACCNNMZ-QPBFKRLHSA-N 0 0 333.388 2.613 10 10 EFCERN Cc1cc(CC(=O)Nc2nnnn2C2CC2)c(C)n1-c1ccccc1 ZINC001129151465 1274012321 /nfs/dbraw/zinc/01/23/21/1274012321.db2.gz YLRSGVLWCUYUDA-UHFFFAOYSA-N 0 0 336.399 2.597 10 10 EFCERN C[C@H](NCc1cc2n(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000844313863 1278859360 /nfs/dbraw/zinc/85/93/60/1278859360.db2.gz WYKOTSIZFFOHLX-HNNXBMFYSA-N 0 0 326.444 2.517 10 10 EFCERN O=C(NCCN1CCc2c(Cl)cccc2C1)C1=CC(=O)CS1 ZINC000786001769 1275270071 /nfs/dbraw/zinc/27/00/71/1275270071.db2.gz FIKRDTWVMFTEML-UHFFFAOYSA-N 0 0 336.844 2.895 10 10 EFCERN CO[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786686846 1275476170 /nfs/dbraw/zinc/47/61/70/1275476170.db2.gz IAMHWJIVEHXOES-ZDUSSCGKSA-N 0 0 333.354 2.519 10 10 EFCERN Cc1sccc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000786795450 1275533947 /nfs/dbraw/zinc/53/39/47/1275533947.db2.gz MQZAOKXQFYGEKU-UHFFFAOYSA-N 0 0 348.443 2.891 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)COCC(F)F)c1 ZINC000787132380 1275674254 /nfs/dbraw/zinc/67/42/54/1275674254.db2.gz ZPHYIPBRVRIQFK-SNVBAGLBSA-N 0 0 331.359 2.886 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(O)cc1 ZINC000787267392 1275739584 /nfs/dbraw/zinc/73/95/84/1275739584.db2.gz MYWMFQQNNBOURT-KRWDZBQOSA-N 0 0 332.375 2.601 10 10 EFCERN CCN(CC)c1ccc(CN(CCOC)Cc2ccnn2C)cc1 ZINC000787332549 1275745756 /nfs/dbraw/zinc/74/57/56/1275745756.db2.gz QAKPWGAYLHOYAP-UHFFFAOYSA-N 0 0 330.476 2.915 10 10 EFCERN COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])[C@@H]1C ZINC000787420956 1275770541 /nfs/dbraw/zinc/77/05/41/1275770541.db2.gz NJASYTGQRPQJRX-PWSUYJOCSA-N 0 0 342.233 2.847 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000787445359 1275780575 /nfs/dbraw/zinc/78/05/75/1275780575.db2.gz LEHKQLWMNMIAGD-GFCCVEGCSA-N 0 0 342.395 2.875 10 10 EFCERN CC1(C)CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000787469187 1275791928 /nfs/dbraw/zinc/79/19/28/1275791928.db2.gz STOANYAWJYFQAT-RDJZCZTQSA-N 0 0 333.428 2.857 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 ZINC000787832095 1275933114 /nfs/dbraw/zinc/93/31/14/1275933114.db2.gz HKOLQIDQMBRYQN-INIZCTEOSA-N 0 0 334.366 2.936 10 10 EFCERN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 ZINC000788606569 1276237540 /nfs/dbraw/zinc/23/75/40/1276237540.db2.gz AFCNIHFMPCFSLV-AWEZNQCLSA-N 0 0 339.439 2.717 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccccc1CO ZINC001136025671 1276343531 /nfs/dbraw/zinc/34/35/31/1276343531.db2.gz UKVXHJOINKUZDI-UHFFFAOYSA-N 0 0 338.451 2.980 10 10 EFCERN C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940897 1276385644 /nfs/dbraw/zinc/38/56/44/1276385644.db2.gz OYHAGADDDAZAQJ-CYBMUJFWSA-N 0 0 330.388 2.526 10 10 EFCERN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818361534 1276519631 /nfs/dbraw/zinc/51/96/31/1276519631.db2.gz KWIUPWUIIRQTLK-NWDGAFQWSA-N 0 0 345.226 2.887 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000819164327 1276650636 /nfs/dbraw/zinc/65/06/36/1276650636.db2.gz GXKUTEFIOYLNHQ-HZPDHXFCSA-N 0 0 340.354 2.852 10 10 EFCERN COCCOc1ccccc1NC[C@@H](O)COc1ccc(C)cc1 ZINC000819425103 1276782709 /nfs/dbraw/zinc/78/27/09/1276782709.db2.gz XXNKQYPWPANRIE-MRXNPFEDSA-N 0 0 331.412 2.872 10 10 EFCERN CN(C[C@@H](O)CNc1ccccc1OCCF)C(=O)OC(C)(C)C ZINC000819487359 1276791925 /nfs/dbraw/zinc/79/19/25/1276791925.db2.gz DWKYTPHLJNGDPI-ZDUSSCGKSA-N 0 0 342.411 2.675 10 10 EFCERN O[C@@H](CNc1ccccc1OCCF)COc1ccc2c(c1)OCO2 ZINC000819487788 1276793020 /nfs/dbraw/zinc/79/30/20/1276793020.db2.gz IFCKDXNTHOWALH-ZDUSSCGKSA-N 0 0 349.358 2.615 10 10 EFCERN CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000789578817 1276827255 /nfs/dbraw/zinc/82/72/55/1276827255.db2.gz SXEUDNACICGYCW-MRXNPFEDSA-N 0 0 335.444 2.848 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@H]3OC)C2)cc1 ZINC000819591488 1276834248 /nfs/dbraw/zinc/83/42/48/1276834248.db2.gz SLEJMDLKHKKDQM-AYOQOUSVSA-N 0 0 346.471 2.843 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000819699632 1276876877 /nfs/dbraw/zinc/87/68/77/1276876877.db2.gz HXIBUTTWAUUTIE-LZWOXQAQSA-N 0 0 331.412 2.720 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)CC(F)(F)F ZINC000819699774 1276879917 /nfs/dbraw/zinc/87/99/17/1276879917.db2.gz KUPQUBAFGWXTEJ-NSHDSACASA-N 0 0 347.333 2.872 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(CO)n1 ZINC000819706577 1276883105 /nfs/dbraw/zinc/88/31/05/1276883105.db2.gz MTYHNAKQCUCQAE-UHFFFAOYSA-N 0 0 341.436 2.973 10 10 EFCERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000819974433 1276957388 /nfs/dbraw/zinc/95/73/88/1276957388.db2.gz MFAUACAFRYDRPS-LJQANCHMSA-N 0 0 346.471 2.687 10 10 EFCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000819974783 1276957914 /nfs/dbraw/zinc/95/79/14/1276957914.db2.gz RQZIQVCFXAKQKL-VQIMIIECSA-N 0 0 346.471 2.687 10 10 EFCERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000819979225 1276959095 /nfs/dbraw/zinc/95/90/95/1276959095.db2.gz SNXOXMKHLOYNIS-IEBWSBKVSA-N 0 0 346.471 2.687 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000820005301 1276967376 /nfs/dbraw/zinc/96/73/76/1276967376.db2.gz ORCPEWYEQFVCIH-CJNGLKHVSA-N 0 0 342.447 2.582 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000820005302 1276967882 /nfs/dbraw/zinc/96/78/82/1276967882.db2.gz ORCPEWYEQFVCIH-CZUORRHYSA-N 0 0 342.447 2.582 10 10 EFCERN NC(=O)CN1CCc2ccc(NCc3cccc(Cl)c3O)cc2C1 ZINC000789768447 1276973104 /nfs/dbraw/zinc/97/31/04/1276973104.db2.gz HKXAGTZEHKDLSQ-UHFFFAOYSA-N 0 0 345.830 2.501 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccoc3)n[nH]2)cc1F ZINC000746865825 1277125421 /nfs/dbraw/zinc/12/54/21/1277125421.db2.gz BDAVUAMPOYUQFJ-UHFFFAOYSA-N 0 0 328.347 2.805 10 10 EFCERN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 ZINC001136342991 1277194106 /nfs/dbraw/zinc/19/41/06/1277194106.db2.gz JDWZDPPDYGWIFK-CQSZACIVSA-N 0 0 343.379 2.679 10 10 EFCERN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001136388543 1277354295 /nfs/dbraw/zinc/35/42/95/1277354295.db2.gz WCRWDNGPOMNYDB-UHFFFAOYSA-N 0 0 328.368 2.832 10 10 EFCERN CC[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC000790237301 1277363361 /nfs/dbraw/zinc/36/33/61/1277363361.db2.gz YALDXEIDYKWUAY-GOSISDBHSA-N 0 0 342.439 2.952 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000585121770 1277372443 /nfs/dbraw/zinc/37/24/43/1277372443.db2.gz ZDXHQGZCFOTTDO-CQSZACIVSA-N 0 0 330.388 2.738 10 10 EFCERN CC(C)n1ncc2c1C[C@H](NC(=O)NCc1ccccc1O)CC2 ZINC000790264050 1277405981 /nfs/dbraw/zinc/40/59/81/1277405981.db2.gz GIXULGVGNFRHPL-OAHLLOKOSA-N 0 0 328.416 2.526 10 10 EFCERN COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000821032504 1277406488 /nfs/dbraw/zinc/40/64/88/1277406488.db2.gz DETBQOLQLOEELQ-UHFFFAOYSA-N 0 0 339.439 2.890 10 10 EFCERN CCCn1nccc1NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844493930 1279039385 /nfs/dbraw/zinc/03/93/85/1279039385.db2.gz JTDBSZDPZCRGGN-UHFFFAOYSA-N 0 0 345.447 2.902 10 10 EFCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000821103981 1277461736 /nfs/dbraw/zinc/46/17/36/1277461736.db2.gz QVFJIRHOBJGWGQ-BWTSREIZSA-N 0 0 340.423 2.767 10 10 EFCERN CCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000821239947 1277490549 /nfs/dbraw/zinc/49/05/49/1277490549.db2.gz RZYNPFNOBALDBM-GFCCVEGCSA-N 0 0 330.388 2.646 10 10 EFCERN Cc1c(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000790526101 1277631362 /nfs/dbraw/zinc/63/13/62/1277631362.db2.gz VEQXQMHBWHPIIL-ZDUSSCGKSA-N 0 0 329.448 2.697 10 10 EFCERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790670593 1277708506 /nfs/dbraw/zinc/70/85/06/1277708506.db2.gz CQAZAGTUXDXCJQ-LMOYCYGVSA-N 0 0 335.423 2.647 10 10 EFCERN Cn1ccnc1C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790809446 1277760301 /nfs/dbraw/zinc/76/03/01/1277760301.db2.gz VYKCPBFOAUBVGX-OAHLLOKOSA-N 0 0 337.379 2.545 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000815073441 1287299134 /nfs/dbraw/zinc/29/91/34/1287299134.db2.gz NIADIHWVHVNVQU-OALUTQOASA-N 0 0 346.471 2.939 10 10 EFCERN O=C(c1cc(=O)c2ccc(F)cc2o1)N1Cc2cccc(O)c2C1 ZINC001175038584 1287300112 /nfs/dbraw/zinc/30/01/12/1287300112.db2.gz RUZUKJPEGNVWRM-UHFFFAOYSA-N 0 0 325.295 2.794 10 10 EFCERN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815114576 1287310697 /nfs/dbraw/zinc/31/06/97/1287310697.db2.gz PNEXAKDSQNEYHZ-ZYSHUDEJSA-N 0 0 346.471 2.906 10 10 EFCERN CCCN1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccc(F)cc21 ZINC000791046831 1277928061 /nfs/dbraw/zinc/92/80/61/1277928061.db2.gz FDHOBEHGRKOABE-QPJJXVBHSA-N 0 0 328.391 2.836 10 10 EFCERN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000792826989 1279187081 /nfs/dbraw/zinc/18/70/81/1279187081.db2.gz LNICPJZBGZMNHD-LBPRGKRZSA-N 0 0 343.393 2.824 10 10 EFCERN COc1ccccc1-c1ncc(C=C2SC(=S)NC2=O)cn1 ZINC000792857823 1279197443 /nfs/dbraw/zinc/19/74/43/1279197443.db2.gz GBMVXVQSTOPXSD-WUXMJOGZSA-N 0 0 329.406 2.641 10 10 EFCERN COc1ccc(CNC(=O)Nc2cc3c([nH]c2=O)CCCC3)c(O)c1 ZINC000844721040 1279198683 /nfs/dbraw/zinc/19/86/83/1279198683.db2.gz WLFJBGDUURDDMM-UHFFFAOYSA-N 0 0 343.383 2.702 10 10 EFCERN CSc1cccnc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000844824275 1279278253 /nfs/dbraw/zinc/27/82/53/1279278253.db2.gz DUPMNXNDEHDPKU-JTQLQIEISA-N 0 0 333.413 2.967 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CCOCC2)cc1 ZINC000844854849 1279286530 /nfs/dbraw/zinc/28/65/30/1279286530.db2.gz PASWBEOSRMSQGR-OAHLLOKOSA-N 0 0 334.460 2.653 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)n2nc(C)cc2C)cc1 ZINC000844854966 1279286668 /nfs/dbraw/zinc/28/66/68/1279286668.db2.gz WXISVKKKGFOSAG-INIZCTEOSA-N 0 0 344.459 2.664 10 10 EFCERN CCc1nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c(C)o1 ZINC000844857444 1279288112 /nfs/dbraw/zinc/28/81/12/1279288112.db2.gz XKHYCTKJUNPEEM-UHFFFAOYSA-N 0 0 331.416 2.762 10 10 EFCERN COc1ccc(CNC(=O)NCc2cc(C)cc(OC)c2)c(O)c1 ZINC000793010472 1279325393 /nfs/dbraw/zinc/32/53/93/1279325393.db2.gz AXBZYDIMHLUJQT-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN CN(C)c1ccc(CNCc2cc(C(N)=O)co2)c(C(F)(F)F)c1 ZINC000793091065 1279366389 /nfs/dbraw/zinc/36/63/89/1279366389.db2.gz AAIVAGNINNXSTL-UHFFFAOYSA-N 0 0 341.333 2.753 10 10 EFCERN COc1ccc(CNC(=O)N[C@H](c2cccnc2)C2CC2)c(O)c1 ZINC000793129881 1279374794 /nfs/dbraw/zinc/37/47/94/1279374794.db2.gz VBEIOQSXMAVDEK-KRWDZBQOSA-N 0 0 327.384 2.746 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCOC1 ZINC000845003135 1279380361 /nfs/dbraw/zinc/38/03/61/1279380361.db2.gz RJNSTWSEKLZDST-SFHVURJKSA-N 0 0 329.444 2.773 10 10 EFCERN CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845004024 1279381270 /nfs/dbraw/zinc/38/12/70/1279381270.db2.gz VWIGFRSGNMNFPY-YJBOKZPZSA-N 0 0 331.460 2.659 10 10 EFCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCc2ccc(F)cc21 ZINC001144290766 1279392893 /nfs/dbraw/zinc/39/28/93/1279392893.db2.gz BCAZKCKQCGURNM-LBPRGKRZSA-N 0 0 329.371 2.968 10 10 EFCERN CN(C)c1ccc(CN2C[C@@H](O)CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000793166603 1279393606 /nfs/dbraw/zinc/39/36/06/1279393606.db2.gz AFQRDRPZFFWIKL-LBPRGKRZSA-N 0 0 338.320 2.973 10 10 EFCERN CN(C)c1ccc(CN2CC(F)(F)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC000793152513 1279408570 /nfs/dbraw/zinc/40/85/70/1279408570.db2.gz HOKNITLXCJXYCY-GFCCVEGCSA-N 0 0 338.320 2.973 10 10 EFCERN CCC[C@H](C)[C@H](CO)NC(=O)NCCCSc1nccs1 ZINC000845045501 1279413197 /nfs/dbraw/zinc/41/31/97/1279413197.db2.gz HLRVHDDRLSMHCP-RYUDHWBXSA-N 0 0 331.507 2.722 10 10 EFCERN CCN(CC)c1ccc(CN(CCO)Cc2ccnn2CC)cc1 ZINC000793306456 1279518763 /nfs/dbraw/zinc/51/87/63/1279518763.db2.gz ZKHCSFSHHOXNLE-UHFFFAOYSA-N 0 0 330.476 2.744 10 10 EFCERN CCN(CC)c1ccc(CN(CCO)Cc2ccnn2CC)cc1F ZINC000793308653 1279521687 /nfs/dbraw/zinc/52/16/87/1279521687.db2.gz VUMGFHSRYGJLLO-UHFFFAOYSA-N 0 0 348.466 2.883 10 10 EFCERN Cc1ccc(CN(CCO)Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000793364664 1279575210 /nfs/dbraw/zinc/57/52/10/1279575210.db2.gz FPMVOGPUBWDOPG-UHFFFAOYSA-N 0 0 348.418 2.558 10 10 EFCERN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]2(CCOC2)O1 ZINC000793366144 1279577031 /nfs/dbraw/zinc/57/70/31/1279577031.db2.gz QTTVEYCITRVZGS-INIZCTEOSA-N 0 0 329.799 2.955 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]1n1cccn1 ZINC000815166308 1287361190 /nfs/dbraw/zinc/36/11/90/1287361190.db2.gz AHUPWXMXGQWKIX-XPKDYRNWSA-N 0 0 339.798 2.890 10 10 EFCERN CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000845671043 1279780403 /nfs/dbraw/zinc/78/04/03/1279780403.db2.gz YWOJRGNTKLTWCB-IUCKJTJTSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCC(C)=O)CCCC1 ZINC000845899344 1279924028 /nfs/dbraw/zinc/92/40/28/1279924028.db2.gz BQRJTHRADFDMMK-UHFFFAOYSA-N 0 0 342.439 2.966 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(C3(O)CC3)CC2)c1[O-] ZINC000846008847 1279973154 /nfs/dbraw/zinc/97/31/54/1279973154.db2.gz RDPTWPDGCCVUBR-UHFFFAOYSA-N 0 0 326.780 2.691 10 10 EFCERN CCNC(=O)N(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000794112116 1280033466 /nfs/dbraw/zinc/03/34/66/1280033466.db2.gz AYEKBMWWNXMEQV-UHFFFAOYSA-N 0 0 329.356 2.516 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846105803 1280035226 /nfs/dbraw/zinc/03/52/26/1280035226.db2.gz YMIGQBKURXZNMZ-AWEZNQCLSA-N 0 0 328.315 2.930 10 10 EFCERN C[C@H](CC(=O)NCc1cc(Br)ccc1O)n1ccnc1 ZINC000846138290 1280050116 /nfs/dbraw/zinc/05/01/16/1280050116.db2.gz AORQSZPSKUCLLK-SNVBAGLBSA-N 0 0 338.205 2.619 10 10 EFCERN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000846188372 1280063741 /nfs/dbraw/zinc/06/37/41/1280063741.db2.gz FJMABXARWBCJCV-BHNWBGBOSA-N 0 0 347.640 2.723 10 10 EFCERN Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846237613 1280081986 /nfs/dbraw/zinc/08/19/86/1280081986.db2.gz FXJQTEDKMHBGGX-GFCCVEGCSA-N 0 0 340.383 2.635 10 10 EFCERN Cc1ccc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c(O)c1O ZINC000846366589 1280146108 /nfs/dbraw/zinc/14/61/08/1280146108.db2.gz LFXOCZRBYDLWIP-UHFFFAOYSA-N 0 0 333.281 2.913 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1OCCCO2 ZINC001175321331 1287401875 /nfs/dbraw/zinc/40/18/75/1287401875.db2.gz HJEQOZJTEGSDLT-SOFGYWHQSA-N 0 0 327.336 2.911 10 10 EFCERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794378373 1280161831 /nfs/dbraw/zinc/16/18/31/1280161831.db2.gz FQVOKOUCVBOSGP-IAGOWNOFSA-N 0 0 327.380 2.829 10 10 EFCERN COc1cc(NC(=O)c2cccc(O)c2O)c(OC)c(C)c1OC ZINC000794391916 1280169097 /nfs/dbraw/zinc/16/90/97/1280169097.db2.gz CWNQEQUQIQWSHT-UHFFFAOYSA-N 0 0 333.340 2.684 10 10 EFCERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1c(F)ccc(O)c1O ZINC000846655623 1280370779 /nfs/dbraw/zinc/37/07/79/1280370779.db2.gz REEPFMUMWHOLJF-HAQNSBGRSA-N 0 0 345.374 2.785 10 10 EFCERN CCOCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000804928970 1280410882 /nfs/dbraw/zinc/41/08/82/1280410882.db2.gz WSOQMZRWIREKJI-UHFFFAOYSA-N 0 0 345.237 2.771 10 10 EFCERN COCCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805024214 1280422369 /nfs/dbraw/zinc/42/23/69/1280422369.db2.gz CSIQREXVGBDEMQ-UHFFFAOYSA-N 0 0 345.237 2.771 10 10 EFCERN C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805185147 1280472995 /nfs/dbraw/zinc/47/29/95/1280472995.db2.gz UEIDSCSQMKEROY-NSHDSACASA-N 0 0 332.231 2.592 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C(C)=C\c3ccncc3)CC2)cc1 ZINC000846769045 1280477937 /nfs/dbraw/zinc/47/79/37/1280477937.db2.gz UZOVKMTVLBTTQL-NXVVXOECSA-N 0 0 337.423 2.842 10 10 EFCERN CC[C@@H]([C@@H]1CCCCO1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000846790094 1280491842 /nfs/dbraw/zinc/49/18/42/1280491842.db2.gz SRQVBNBLESUADR-HOCLYGCPSA-N 0 0 332.400 2.504 10 10 EFCERN CCN1C[C@H](CN2CCCc3cc(OC(F)F)ccc32)OC1=O ZINC000846822954 1280516326 /nfs/dbraw/zinc/51/63/26/1280516326.db2.gz HHKUNHXBRUUKEB-CYBMUJFWSA-N 0 0 326.343 2.881 10 10 EFCERN CCN1C[C@H](CN(Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825396 1280521170 /nfs/dbraw/zinc/52/11/70/1280521170.db2.gz VDMDVJGBDKKXON-INIZCTEOSA-N 0 0 330.384 2.828 10 10 EFCERN COc1ccc(CNC(=O)C2(OC)CCC(F)(F)CC2)c(O)c1 ZINC000846950306 1280653920 /nfs/dbraw/zinc/65/39/20/1280653920.db2.gz NWEJZJGJQJFLQC-UHFFFAOYSA-N 0 0 329.343 2.612 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1 ZINC000806510191 1281075007 /nfs/dbraw/zinc/07/50/07/1281075007.db2.gz LNUHDHQLVLYMQK-QGZVFWFLSA-N 0 0 332.444 2.692 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCC12OCCO2 ZINC000806666638 1281129501 /nfs/dbraw/zinc/12/95/01/1281129501.db2.gz PWPXTZOWWSHWBX-GOSISDBHSA-N 0 0 344.455 2.836 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1F ZINC000806772534 1281143411 /nfs/dbraw/zinc/14/34/11/1281143411.db2.gz ROWDVZOIFLMFSO-GASCZTMLSA-N 0 0 337.439 2.991 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000806821137 1281158781 /nfs/dbraw/zinc/15/87/81/1281158781.db2.gz PWBVJPPBPAMTOK-LJQANCHMSA-N 0 0 331.460 2.773 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCOCC1 ZINC000807076550 1281215643 /nfs/dbraw/zinc/21/56/43/1281215643.db2.gz LTTDAVZLXSVGGI-LBPRGKRZSA-N 0 0 343.221 2.523 10 10 EFCERN COC(OC)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000808151853 1281563278 /nfs/dbraw/zinc/56/32/78/1281563278.db2.gz RCEAQDALWXXNKB-GFCCVEGCSA-N 0 0 334.391 2.970 10 10 EFCERN COc1cc(Cl)cc(CN2CCN(C)c3ncccc3C2)c1O ZINC000872267494 1287510640 /nfs/dbraw/zinc/51/06/40/1287510640.db2.gz SKRXVGNKIDXIDW-UHFFFAOYSA-N 0 0 333.819 2.901 10 10 EFCERN Fc1cc(CNCc2noc3c2CCCC3)ccc1N1CCOCC1 ZINC000808437278 1281710432 /nfs/dbraw/zinc/71/04/32/1281710432.db2.gz KNQNFDIHBUPSMY-UHFFFAOYSA-N 0 0 345.418 2.819 10 10 EFCERN CCOc1ccc(-c2nc(C(=O)OCC(=O)C(C)=O)cs2)cc1 ZINC000808501133 1281741564 /nfs/dbraw/zinc/74/15/64/1281741564.db2.gz FHNRKTGXGLQYDB-UHFFFAOYSA-N 0 0 333.365 2.524 10 10 EFCERN CCN(CC)c1nc2sc(C(=O)OCC(=O)C(C)=O)cc2s1 ZINC000808508884 1281746269 /nfs/dbraw/zinc/74/62/69/1281746269.db2.gz OCCQSZAIUPEDFW-UHFFFAOYSA-N 0 0 340.426 2.519 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000808517550 1281750680 /nfs/dbraw/zinc/75/06/80/1281750680.db2.gz FUQHAHATDHXWSP-UHFFFAOYSA-N 0 0 330.311 2.720 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000808521583 1281752469 /nfs/dbraw/zinc/75/24/69/1281752469.db2.gz WQNCFSXJXVHTOE-UHFFFAOYSA-N 0 0 344.367 2.640 10 10 EFCERN CC(=O)C(=O)COC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000808526487 1281753685 /nfs/dbraw/zinc/75/36/85/1281753685.db2.gz QULAZJXSXKJQOF-UHFFFAOYSA-N 0 0 337.180 2.719 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000808500361 1281755528 /nfs/dbraw/zinc/75/55/28/1281755528.db2.gz YPZGKPZGXBLFES-UHFFFAOYSA-N 0 0 335.743 2.629 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Br)c1F ZINC000808543067 1281770216 /nfs/dbraw/zinc/77/02/16/1281770216.db2.gz NZWDTNHBXKNCGH-UHFFFAOYSA-N 0 0 337.528 2.557 10 10 EFCERN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)C(C)=O ZINC000808548220 1281774954 /nfs/dbraw/zinc/77/49/54/1281774954.db2.gz BXYQDSVERGPMCM-LBPRGKRZSA-N 0 0 330.302 2.975 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000808548660 1281775298 /nfs/dbraw/zinc/77/52/98/1281775298.db2.gz HSDAHFFICYAHKQ-AWEZNQCLSA-N 0 0 326.348 2.822 10 10 EFCERN CN(Cc1ccccc1O)c1nnc([C@@H]2Cc3ccccc3O2)n1C ZINC000809819984 1282516081 /nfs/dbraw/zinc/51/60/81/1282516081.db2.gz JMLWGPCEKREXIP-KRWDZBQOSA-N 0 0 336.395 2.833 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(-c2ccc3c(c2)OCO3)n1C ZINC000809873061 1282543910 /nfs/dbraw/zinc/54/39/10/1282543910.db2.gz WBSSMTWCKDSZQB-UHFFFAOYSA-N 0 0 338.367 2.553 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CC(=O)CC3)c1 ZINC000810347377 1283169752 /nfs/dbraw/zinc/16/97/52/1283169752.db2.gz BTIMKXOLTOIXSW-LBPRGKRZSA-N 0 0 339.391 2.950 10 10 EFCERN C[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815575190 1287630982 /nfs/dbraw/zinc/63/09/82/1287630982.db2.gz LINFSWOXGZJBSO-JTQLQIEISA-N 0 0 332.322 2.904 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1n1cccn1 ZINC000815660942 1287658239 /nfs/dbraw/zinc/65/82/39/1287658239.db2.gz OLULRCBOMIYAIN-HYEYJGRESA-N 0 0 346.387 2.566 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000715804913 1284367773 /nfs/dbraw/zinc/36/77/73/1284367773.db2.gz SJAUILZDQNDPQZ-KOLCDFICSA-N 0 0 330.197 2.762 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCSC1 ZINC000811522471 1284371832 /nfs/dbraw/zinc/37/18/32/1284371832.db2.gz ACOKRMBRVAYNHY-SECBINFHSA-N 0 0 330.247 2.914 10 10 EFCERN Oc1ccc2c(c1CNc1nccc(N3CCOCC3)n1)CCCC2 ZINC000811808274 1284638911 /nfs/dbraw/zinc/63/89/11/1284638911.db2.gz BSHLXYKWEBCMGQ-UHFFFAOYSA-N 0 0 340.427 2.510 10 10 EFCERN COC(=O)c1cc2ccccc2c(CN2CCn3cncc3C2)c1O ZINC000811787726 1284650448 /nfs/dbraw/zinc/65/04/48/1284650448.db2.gz QBSCRQJUDRWTPJ-UHFFFAOYSA-N 0 0 337.379 2.544 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000812551577 1285241294 /nfs/dbraw/zinc/24/12/94/1285241294.db2.gz YFFZVQLZYROZFE-IUODEOHRSA-N 0 0 343.393 2.957 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000812884783 1285485544 /nfs/dbraw/zinc/48/55/44/1285485544.db2.gz ATVNQUSWDCIJQC-SFHVURJKSA-N 0 0 345.487 2.978 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CCOC2)cc1F ZINC000813062369 1285625617 /nfs/dbraw/zinc/62/56/17/1285625617.db2.gz LKZJPZWJIALYOL-HNNXBMFYSA-N 0 0 337.439 2.992 10 10 EFCERN C[C@H](NC(=O)N1CC(C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000813046676 1285633996 /nfs/dbraw/zinc/63/39/96/1285633996.db2.gz ILLMFBRFLVRZNW-AWEZNQCLSA-N 0 0 329.444 2.636 10 10 EFCERN CN(CC(=O)Nc1nncs1)c1ccc(-c2nccs2)cc1 ZINC001170990573 1289027838 /nfs/dbraw/zinc/02/78/38/1289027838.db2.gz NEZHRVKRJNGUCY-UHFFFAOYSA-N 0 0 331.426 2.737 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1O ZINC001171717412 1285737968 /nfs/dbraw/zinc/73/79/68/1285737968.db2.gz RZXFRWKGSCQFIH-GFCCVEGCSA-N 0 0 338.363 2.537 10 10 EFCERN C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21)c1ccccc1O ZINC001171723553 1285742103 /nfs/dbraw/zinc/74/21/03/1285742103.db2.gz ULTGTDWCASHCJJ-QMTHXVAHSA-N 0 0 328.343 2.835 10 10 EFCERN C[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000813424302 1285920289 /nfs/dbraw/zinc/92/02/89/1285920289.db2.gz KVFWNPDLHGYQAN-MAUKXSAKSA-N 0 0 348.487 2.888 10 10 EFCERN CSC[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000813638913 1286035275 /nfs/dbraw/zinc/03/52/75/1286035275.db2.gz WZAYZYMIRXBHMD-SNVBAGLBSA-N 0 0 337.401 2.505 10 10 EFCERN COc1nscc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001179122863 1289050013 /nfs/dbraw/zinc/05/00/13/1289050013.db2.gz XNXYIMWDMDYNDQ-UHFFFAOYSA-N 0 0 333.373 2.586 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000822598122 1289059103 /nfs/dbraw/zinc/05/91/03/1289059103.db2.gz GFAVYHAOXBVBSR-WBVHZDCISA-N 0 0 342.443 2.679 10 10 EFCERN CCOC(=O)c1cc(C(=O)NCc2ccc(N(CC)CC)cc2)on1 ZINC000822595633 1289059181 /nfs/dbraw/zinc/05/91/81/1289059181.db2.gz HIXUFBWLIRRGCU-UHFFFAOYSA-N 0 0 345.399 2.628 10 10 EFCERN C[C@@H](CF)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000814283938 1286477067 /nfs/dbraw/zinc/47/70/67/1286477067.db2.gz LOQJBWOGNDJEGR-YNEHKIRRSA-N 0 0 341.402 2.597 10 10 EFCERN COc1cccc(CN[C@@H](C)c2ncc(Br)cn2)c1O ZINC000814302720 1286502636 /nfs/dbraw/zinc/50/26/36/1286502636.db2.gz ZSGSYJQBXAPMGD-VIFPVBQESA-N 0 0 338.205 2.804 10 10 EFCERN COc1cccc(CN[C@H](C)c2ncc(Br)cn2)c1O ZINC000814302719 1286503181 /nfs/dbraw/zinc/50/31/81/1286503181.db2.gz ZSGSYJQBXAPMGD-SECBINFHSA-N 0 0 338.205 2.804 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000822687959 1289082513 /nfs/dbraw/zinc/08/25/13/1289082513.db2.gz IXFPOIBYNYJOFT-OAGGEKHMSA-N 0 0 332.419 2.715 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2F)C[C@H](C)O1 ZINC000822729352 1289093614 /nfs/dbraw/zinc/09/36/14/1289093614.db2.gz VVWOBPNQWVZTGC-IIYDPXPESA-N 0 0 347.434 2.791 10 10 EFCERN Cc1cnccc1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822720371 1289101310 /nfs/dbraw/zinc/10/13/10/1289101310.db2.gz CIKVYAQWZYYVMC-DAXSKMNVSA-N 0 0 337.423 2.556 10 10 EFCERN Cc1ncccc1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822720918 1289102344 /nfs/dbraw/zinc/10/23/44/1289102344.db2.gz NLRWZZOVZWJGMJ-TWGQIWQCSA-N 0 0 337.423 2.556 10 10 EFCERN CC(=O)C(=O)COC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000814593881 1286813916 /nfs/dbraw/zinc/81/39/16/1286813916.db2.gz TUEAIAUGCOKZDR-UHFFFAOYSA-N 0 0 349.383 2.928 10 10 EFCERN C[C@H](CC(N)=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001179347353 1289106711 /nfs/dbraw/zinc/10/67/11/1289106711.db2.gz REJZDLKESKZCJL-KNVNGTOESA-N 0 0 340.379 2.729 10 10 EFCERN C[C@@H](CC(N)=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001179347354 1289106956 /nfs/dbraw/zinc/10/69/56/1289106956.db2.gz REJZDLKESKZCJL-PPFSTCQPSA-N 0 0 340.379 2.729 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000814722408 1286965966 /nfs/dbraw/zinc/96/59/66/1286965966.db2.gz XYLZTJRROVYKAT-MSOLQXFVSA-N 0 0 332.444 2.549 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sccc1F ZINC000814825017 1287062713 /nfs/dbraw/zinc/06/27/13/1287062713.db2.gz UUJWJLAMZYCCOY-UHFFFAOYSA-N 0 0 334.416 2.996 10 10 EFCERN COc1ccc(CCC(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000888578351 1287113909 /nfs/dbraw/zinc/11/39/09/1287113909.db2.gz NCXLRCUWGIPDBR-UHFFFAOYSA-N 0 0 339.439 2.722 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000816028637 1287960913 /nfs/dbraw/zinc/96/09/13/1287960913.db2.gz KRCUGGDBNOWJLQ-SMDDNHRTSA-N 0 0 327.380 2.581 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2n1CCOC2 ZINC000822898508 1289147457 /nfs/dbraw/zinc/14/74/57/1289147457.db2.gz PISDFRXWNNOWQD-UHFFFAOYSA-N 0 0 342.443 2.530 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C(C)(C)C)n1 ZINC000822898815 1289147537 /nfs/dbraw/zinc/14/75/37/1289147537.db2.gz TUCNVYPGQXIAAI-UHFFFAOYSA-N 0 0 344.463 2.545 10 10 EFCERN Cc1c(C(=O)NCc2cccc(O)c2O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001176566453 1288042607 /nfs/dbraw/zinc/04/26/07/1288042607.db2.gz XEMKATTZIZTLAQ-UHFFFAOYSA-N 0 0 342.395 2.819 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](OC)C3CCC3)CC2)cc1 ZINC000822919378 1289153493 /nfs/dbraw/zinc/15/34/93/1289153493.db2.gz JYFBLFZDIAPBTP-SFHVURJKSA-N 0 0 332.444 2.549 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(F)cc(Br)c1 ZINC001176748567 1288093742 /nfs/dbraw/zinc/09/37/42/1288093742.db2.gz WVIOIAGBFIQSSQ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CC(C)Oc1ncc(C(=O)NCc2cc(O)ccc2O)cc1Cl ZINC001176748509 1288093995 /nfs/dbraw/zinc/09/39/95/1288093995.db2.gz UTHKLPXBZIYTNP-UHFFFAOYSA-N 0 0 336.775 2.863 10 10 EFCERN Cc1nc(Br)sc1C(=O)NCc1cc(O)ccc1O ZINC001176754906 1288120410 /nfs/dbraw/zinc/12/04/10/1288120410.db2.gz IZZYAWXSZQWXPP-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000816502455 1288173486 /nfs/dbraw/zinc/17/34/86/1288173486.db2.gz BLCQRVODNNMRJE-AWEZNQCLSA-N 0 0 342.842 2.871 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]1n1cccn1 ZINC000816673429 1288239299 /nfs/dbraw/zinc/23/92/99/1288239299.db2.gz YTGRAYQVUGAWNJ-FVQBIDKESA-N 0 0 339.798 2.890 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)[nH]n2)c1 ZINC000816866308 1288298143 /nfs/dbraw/zinc/29/81/43/1288298143.db2.gz LSKWJTGPXXCMNE-UHFFFAOYSA-N 0 0 349.438 2.945 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1 ZINC001135726516 1288300317 /nfs/dbraw/zinc/30/03/17/1288300317.db2.gz VAALQOYMSNWMRJ-LBPRGKRZSA-N 0 0 338.367 2.830 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2ccnc(OC)c2)cc1F ZINC000816921975 1288313862 /nfs/dbraw/zinc/31/38/62/1288313862.db2.gz NHVXJGSVTJVNCY-UHFFFAOYSA-N 0 0 345.418 2.934 10 10 EFCERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000816921782 1288314193 /nfs/dbraw/zinc/31/41/93/1288314193.db2.gz GXCGHXIWLRJKGC-UHFFFAOYSA-N 0 0 348.830 2.893 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](C4CCCC4)C3)cc2N1 ZINC000817126163 1288428488 /nfs/dbraw/zinc/42/84/88/1288428488.db2.gz RHIRWLKXGAPUHE-LBPRGKRZSA-N 0 0 331.372 2.942 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817131773 1288432812 /nfs/dbraw/zinc/43/28/12/1288432812.db2.gz OZOQBVQVDIVDPD-YVARQFDVSA-N 0 0 346.383 2.665 10 10 EFCERN CCn1nccc1S(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817151811 1288442443 /nfs/dbraw/zinc/44/24/43/1288442443.db2.gz BUBDKAICTMCGDI-UHFFFAOYSA-N 0 0 333.413 2.779 10 10 EFCERN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cnc4n3CCC4)cc12 ZINC000817152206 1288444711 /nfs/dbraw/zinc/44/47/11/1288444711.db2.gz TVMYJKJOODHWIE-UHFFFAOYSA-N 0 0 345.424 2.706 10 10 EFCERN CC[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000817162441 1288446259 /nfs/dbraw/zinc/44/62/59/1288446259.db2.gz TZTXWWHWPGWKON-WMZOPIPTSA-N 0 0 329.444 2.820 10 10 EFCERN CC[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000817162435 1288446268 /nfs/dbraw/zinc/44/62/68/1288446268.db2.gz TZTXWWHWPGWKON-AEFFLSMTSA-N 0 0 329.444 2.820 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](O)CC12CCC2 ZINC000817162344 1288446885 /nfs/dbraw/zinc/44/68/85/1288446885.db2.gz SGUZVHQJLXDJPD-SFHVURJKSA-N 0 0 341.455 2.652 10 10 EFCERN C[C@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc(N(C)C)cc1 ZINC000817166300 1288447248 /nfs/dbraw/zinc/44/72/48/1288447248.db2.gz XCACEACKZLFMMK-YOEHRIQHSA-N 0 0 331.460 2.903 10 10 EFCERN CC[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000817174249 1288448815 /nfs/dbraw/zinc/44/88/15/1288448815.db2.gz CFZBRCWYKOIMLC-IAGOWNOFSA-N 0 0 331.460 2.826 10 10 EFCERN CC[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000817174248 1288449374 /nfs/dbraw/zinc/44/93/74/1288449374.db2.gz CFZBRCWYKOIMLC-DLBZAZTESA-N 0 0 331.460 2.826 10 10 EFCERN Cc1c(Cl)c(CNCc2ccc(N3CCOCC3)cc2)nn1C ZINC000817406959 1288586499 /nfs/dbraw/zinc/58/64/99/1288586499.db2.gz AARCKKXFQDSKLN-UHFFFAOYSA-N 0 0 334.851 2.508 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cnc(-c3ccccn3)nc2)cc1 ZINC001135914986 1288593228 /nfs/dbraw/zinc/59/32/28/1288593228.db2.gz VYGDQGPIRABEHL-UHFFFAOYSA-N 0 0 347.422 2.877 10 10 EFCERN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000817640523 1288678108 /nfs/dbraw/zinc/67/81/08/1288678108.db2.gz QLIOSCIXOMFPTQ-INIZCTEOSA-N 0 0 339.439 2.611 10 10 EFCERN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000817640913 1288696591 /nfs/dbraw/zinc/69/65/91/1288696591.db2.gz SQOLFPBQJSHHJK-INIZCTEOSA-N 0 0 339.439 2.611 10 10 EFCERN Cc1cc(C(N)=O)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136487838 1288776999 /nfs/dbraw/zinc/77/69/99/1288776999.db2.gz YHUYJFAFXTVMID-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN CCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822175154 1288900205 /nfs/dbraw/zinc/90/02/05/1288900205.db2.gz IGJSBHWFCBXVQK-ZDUSSCGKSA-N 0 0 344.415 2.954 10 10 EFCERN CN(Cc1cccc(=O)[nH]1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001178776738 1288925338 /nfs/dbraw/zinc/92/53/38/1288925338.db2.gz MALWVIIOTIEDHC-UHFFFAOYSA-N 0 0 330.365 2.685 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001178905290 1288976318 /nfs/dbraw/zinc/97/63/18/1288976318.db2.gz KREBHLDTVKXIMH-NSHDSACASA-N 0 0 333.771 2.619 10 10 EFCERN CCn1ncc(C(=O)NCc2c(O)cccc2O)c1-c1ccccc1 ZINC001178910213 1288978272 /nfs/dbraw/zinc/97/82/72/1288978272.db2.gz BESCMCIPWNZQAV-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cccn(C)c2=O)c1 ZINC001136675036 1289217947 /nfs/dbraw/zinc/21/79/47/1289217947.db2.gz GWVTVBUMLAXVRA-UHFFFAOYSA-N 0 0 349.390 2.858 10 10 EFCERN C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548787 1289370702 /nfs/dbraw/zinc/37/07/02/1289370702.db2.gz WPUVXYMWMSKJMK-HOTGVXAUSA-N 0 0 345.487 2.978 10 10 EFCERN CC1(C)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823547817 1289371294 /nfs/dbraw/zinc/37/12/94/1289371294.db2.gz BUIJYNRCZJVNDK-UHFFFAOYSA-N 0 0 331.460 2.732 10 10 EFCERN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548814 1289371486 /nfs/dbraw/zinc/37/14/86/1289371486.db2.gz XKWKKQBITUGGSW-KRWDZBQOSA-N 0 0 345.487 2.835 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](C)[C@@H](F)C3)C2)cc1 ZINC000823725814 1289434813 /nfs/dbraw/zinc/43/48/13/1289434813.db2.gz INSMXPDXJYOJRW-DAYGRLMNSA-N 0 0 349.450 2.911 10 10 EFCERN CN(Cc1cccs1)c1ccc(CNCc2cnn(C)n2)cc1 ZINC000824377192 1289633466 /nfs/dbraw/zinc/63/34/66/1289633466.db2.gz WXZMQIZFYMFAAG-UHFFFAOYSA-N 0 0 327.457 2.803 10 10 EFCERN COc1c([O-])c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000828013995 1289668286 /nfs/dbraw/zinc/66/82/86/1289668286.db2.gz QHMAGSDBVVZVJB-UHFFFAOYSA-N 0 0 346.387 2.617 10 10 EFCERN Cc1cc(NC(=O)NCc2cc(Cl)ccc2O)c(N(C)C)nn1 ZINC000824522516 1289681338 /nfs/dbraw/zinc/68/13/38/1289681338.db2.gz QFMNIGLUNWMPNU-UHFFFAOYSA-N 0 0 335.795 2.532 10 10 EFCERN CCc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000795593324 1290634680 /nfs/dbraw/zinc/63/46/80/1290634680.db2.gz ZIMLODVAHLVYAZ-ZDUSSCGKSA-N 0 0 343.427 2.873 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795592870 1290635016 /nfs/dbraw/zinc/63/50/16/1290635016.db2.gz QHXIHNNLKXXTHE-QGTPRVQTSA-N 0 0 332.444 2.516 10 10 EFCERN CCOc1ccc(C[NH2+][C@H](CC(=O)NC)c2ccccc2)c(O)c1 ZINC000795604777 1290646256 /nfs/dbraw/zinc/64/62/56/1290646256.db2.gz KHLORRHLPAIFLQ-QGZVFWFLSA-N 0 0 328.412 2.758 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000775011747 1290939655 /nfs/dbraw/zinc/93/96/55/1290939655.db2.gz BTLDRTSJPWFOHV-LLVKDONJSA-N 0 0 332.356 2.735 10 10 EFCERN COc1c([O-])c(C[NH2+]CCCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000775036078 1290987058 /nfs/dbraw/zinc/98/70/58/1290987058.db2.gz AZEICWFYCGUXGJ-UHFFFAOYSA-N 0 0 335.360 2.636 10 10 EFCERN COc1c([O-])c(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000775038552 1290995902 /nfs/dbraw/zinc/99/59/02/1290995902.db2.gz VNOVGNCLRRIHMW-DOMZBBRYSA-N 0 0 338.404 2.730 10 10 EFCERN COC(=O)c1cc(C)nc(N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] ZINC001187333017 1291147358 /nfs/dbraw/zinc/14/73/58/1291147358.db2.gz FMKHBVQARMVDSB-SNVBAGLBSA-N 0 0 331.328 2.964 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001166830754 1312849331 /nfs/dbraw/zinc/84/93/31/1312849331.db2.gz AHHDYEQIMWJYAT-OAHLLOKOSA-N 0 0 349.333 2.519 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)C(F)(F)F ZINC000826035957 1291623602 /nfs/dbraw/zinc/62/36/02/1291623602.db2.gz QGAYJBSNMIODRE-CQSZACIVSA-N 0 0 329.366 2.525 10 10 EFCERN COC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795973941 1291816574 /nfs/dbraw/zinc/81/65/74/1291816574.db2.gz DGNAVZGQQXPMNG-MAUKXSAKSA-N 0 0 334.460 2.762 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000880047589 1292346028 /nfs/dbraw/zinc/34/60/28/1292346028.db2.gz VDXZAQVFYGWNGC-CYBMUJFWSA-N 0 0 335.297 2.887 10 10 EFCERN CCCCCS(=O)(=O)NCc1cc(Br)ccc1O ZINC000796190383 1292384190 /nfs/dbraw/zinc/38/41/90/1292384190.db2.gz GQVBSLHIVFHFJA-UHFFFAOYSA-N 0 0 336.251 2.764 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@H]3CCCC[C@H]3O)nn2)c1O ZINC000880999732 1292714588 /nfs/dbraw/zinc/71/45/88/1292714588.db2.gz RSVOEYVRQNWOPU-CZUORRHYSA-N 0 0 349.818 2.907 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@H]3CCCC[C@@H]3O)nn2)c1O ZINC000880999729 1292715211 /nfs/dbraw/zinc/71/52/11/1292715211.db2.gz RSVOEYVRQNWOPU-CJNGLKHVSA-N 0 0 349.818 2.907 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(OC)nn2C)cc1 ZINC000881253914 1292799566 /nfs/dbraw/zinc/79/95/66/1292799566.db2.gz VOVAGYCIUSPMIK-UHFFFAOYSA-N 0 0 345.447 2.939 10 10 EFCERN CC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(F)c1 ZINC001137182095 1293364076 /nfs/dbraw/zinc/36/40/76/1293364076.db2.gz KSQFZRSDUKXJOA-AWEZNQCLSA-N 0 0 333.359 2.753 10 10 EFCERN CC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(F)c1 ZINC001137182096 1293364199 /nfs/dbraw/zinc/36/41/99/1293364199.db2.gz KSQFZRSDUKXJOA-CQSZACIVSA-N 0 0 333.359 2.753 10 10 EFCERN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000775748319 1294388511 /nfs/dbraw/zinc/38/85/11/1294388511.db2.gz UTRLRFKMZODPEA-IINYFYTJSA-N 0 0 326.799 2.675 10 10 EFCERN O=C(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccc(O)c(O)c1 ZINC000803736421 1313074953 /nfs/dbraw/zinc/07/49/53/1313074953.db2.gz KGXGOBRLLSYKOQ-VHSXEESVSA-N 0 0 332.274 2.802 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000867301591 1295417012 /nfs/dbraw/zinc/41/70/12/1295417012.db2.gz BEECMEBXSXWVJV-DYVFJYSZSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC000867301639 1295419969 /nfs/dbraw/zinc/41/99/69/1295419969.db2.gz CWPIZEKZENVYKS-UFYHVXEKSA-N 0 0 349.427 2.513 10 10 EFCERN CCC(=O)NCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001487593269 1295940259 /nfs/dbraw/zinc/94/02/59/1295940259.db2.gz QCSBOLCZCVDHTF-CQSZACIVSA-N 0 0 347.419 2.520 10 10 EFCERN Cc1nn(CC(F)F)c(C)c1C(=O)NCc1c(O)cccc1F ZINC000928708698 1297125955 /nfs/dbraw/zinc/12/59/55/1297125955.db2.gz QVXREXSXOOKDGJ-UHFFFAOYSA-N 0 0 327.306 2.540 10 10 EFCERN CC[S@@](C)(=O)=NS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000867423005 1297209322 /nfs/dbraw/zinc/20/93/22/1297209322.db2.gz YYYVCHNOXWXCSN-OAQYLSRUSA-N 0 0 344.458 2.536 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000776248307 1297272179 /nfs/dbraw/zinc/27/21/79/1297272179.db2.gz XTNCHXONVOWIRJ-RRQGHBQHSA-N 0 0 346.475 2.547 10 10 EFCERN Cc1nnccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000776486048 1299302159 /nfs/dbraw/zinc/30/21/59/1299302159.db2.gz FINBASITSNVGFU-ZDUSSCGKSA-N 0 0 341.415 2.504 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000851904950 1299458275 /nfs/dbraw/zinc/45/82/75/1299458275.db2.gz AMDRWUBLNLKYHK-MRXNPFEDSA-N 0 0 343.402 2.912 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3ccco3)C2)cc1 ZINC000851954876 1299483958 /nfs/dbraw/zinc/48/39/58/1299483958.db2.gz QFYLRQCLNDEFBD-GJZGRUSLSA-N 0 0 343.427 2.797 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccc(C)o3)C2)cc1 ZINC000851958506 1299487074 /nfs/dbraw/zinc/48/70/74/1299487074.db2.gz FOQTWIGYUGRAOT-OAHLLOKOSA-N 0 0 343.427 2.717 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1 ZINC000851986903 1299492920 /nfs/dbraw/zinc/49/29/20/1299492920.db2.gz IATHUSUQJNNWGF-DLBZAZTESA-N 0 0 331.460 2.711 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)cc1 ZINC000851988224 1299493039 /nfs/dbraw/zinc/49/30/39/1299493039.db2.gz VXJJHAUDVHJCIM-WOVMCDHWSA-N 0 0 347.459 2.626 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000851988308 1299493296 /nfs/dbraw/zinc/49/32/96/1299493296.db2.gz XEHHNXPXKIBXKK-CQSZACIVSA-N 0 0 327.432 2.581 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cnc(C)s3)C2)cc1 ZINC000852028954 1299514653 /nfs/dbraw/zinc/51/46/53/1299514653.db2.gz RXPVQGLQPYSZPF-CYBMUJFWSA-N 0 0 346.456 2.538 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(C)(C)C)C2)cc1 ZINC000852164402 1299573750 /nfs/dbraw/zinc/57/37/50/1299573750.db2.gz YTTSZXGBXROEKK-YOEHRIQHSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852235445 1299609250 /nfs/dbraw/zinc/60/92/50/1299609250.db2.gz QGGUWJPJFGLUCN-KKUMJFAQSA-N 0 0 347.459 2.529 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000852308426 1299646415 /nfs/dbraw/zinc/64/64/15/1299646415.db2.gz DZECTAILTRPHSO-JLSDUUJJSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(F)(F)F)C2)cc1 ZINC000852340370 1299667548 /nfs/dbraw/zinc/66/75/48/1299667548.db2.gz FGWVLFZDHZAHFF-GHMZBOCLSA-N 0 0 331.338 2.524 10 10 EFCERN CC[C@H](C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852364283 1299678930 /nfs/dbraw/zinc/67/89/30/1299678930.db2.gz IYROWXTWLYSXSQ-MPGHIAIKSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C3(OC)CCC3)C2)cc1 ZINC000852382645 1299683724 /nfs/dbraw/zinc/68/37/24/1299683724.db2.gz JHHKRZXPDITESV-CABCVRRESA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1 ZINC000852397749 1299689957 /nfs/dbraw/zinc/68/99/57/1299689957.db2.gz VRGCNWYUCWOVKJ-FPCVCCKLSA-N 0 0 329.444 2.762 10 10 EFCERN COC1CCN(c2ccc(CN3CC[C@H](O)C(F)(F)C3)cc2)CC1 ZINC000852414109 1299694066 /nfs/dbraw/zinc/69/40/66/1299694066.db2.gz JUQSJXXFEBZWNF-KRWDZBQOSA-N 0 0 340.414 2.504 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)cc1 ZINC000852450752 1299709793 /nfs/dbraw/zinc/70/97/93/1299709793.db2.gz UROWMXHYCVFOIZ-LRDDRELGSA-N 0 0 339.386 2.618 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3ccco3)C2)cc1 ZINC000852455020 1299710765 /nfs/dbraw/zinc/71/07/65/1299710765.db2.gz LEBWZLYVTUEXNP-CQSZACIVSA-N 0 0 329.400 2.709 10 10 EFCERN CC[C@H](COCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852467001 1299714860 /nfs/dbraw/zinc/71/48/60/1299714860.db2.gz ZHYJGMWYDGLCBG-OAHLLOKOSA-N 0 0 337.439 2.896 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852532427 1299742196 /nfs/dbraw/zinc/74/21/96/1299742196.db2.gz HTGCJJOSKLNYLB-MRXNPFEDSA-N 0 0 335.467 2.783 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000852537464 1299745300 /nfs/dbraw/zinc/74/53/00/1299745300.db2.gz DWTXKDXAWBPBHG-MGPUTAFESA-N 0 0 342.414 2.873 10 10 EFCERN C[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CC1(F)F ZINC000852582292 1299770741 /nfs/dbraw/zinc/77/07/41/1299770741.db2.gz SPNCYPJFUJLSOO-LBPRGKRZSA-N 0 0 349.175 2.999 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](CNC(=O)NCc1ccccc1O)C1CCC1 ZINC000852719572 1299832996 /nfs/dbraw/zinc/83/29/96/1299832996.db2.gz MAMLRFGKOGLBMR-HNNXBMFYSA-N 0 0 348.443 2.949 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCCc3n[nH]cc3C2)cc1 ZINC000852969247 1299952975 /nfs/dbraw/zinc/95/29/75/1299952975.db2.gz PCYYGAZMNWMEFE-UHFFFAOYSA-N 0 0 341.459 2.914 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCOc3ccc(O)cc3C2)cc1 ZINC000853244488 1300064822 /nfs/dbraw/zinc/06/48/22/1300064822.db2.gz MUUAXKMADBICLV-UHFFFAOYSA-N 0 0 341.411 2.562 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1 ZINC000853244512 1300065195 /nfs/dbraw/zinc/06/51/95/1300065195.db2.gz NATBNNVMDWFRTB-SJKOYZFVSA-N 0 0 341.402 2.707 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000853244242 1300065287 /nfs/dbraw/zinc/06/52/87/1300065287.db2.gz IMVRHKQURQRUMJ-QZTJIDSGSA-N 0 0 325.412 2.730 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@](O)(C2CC2)C1 ZINC000853412034 1300108275 /nfs/dbraw/zinc/10/82/75/1300108275.db2.gz SDPGQXFUWOCYDW-HXUWFJFHSA-N 0 0 343.471 2.733 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC(O)(C2CC2)C2CC2)cc1 ZINC000853457460 1300122737 /nfs/dbraw/zinc/12/27/37/1300122737.db2.gz URKNBMABGXRNBY-UHFFFAOYSA-N 0 0 345.487 2.883 10 10 EFCERN COC(=O)c1cc2ccccc2c(CN2CCc3nccnc3C2)c1O ZINC000853606573 1300191320 /nfs/dbraw/zinc/19/13/20/1300191320.db2.gz NXRYFCNQOXUNLT-UHFFFAOYSA-N 0 0 349.390 2.680 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000853737883 1300251292 /nfs/dbraw/zinc/25/12/92/1300251292.db2.gz MPLJUOGKWUOWRG-CGTJXYLNSA-N 0 0 342.370 2.677 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000853749401 1300256422 /nfs/dbraw/zinc/25/64/22/1300256422.db2.gz RICHXGBJUVOIPN-QGZVFWFLSA-N 0 0 341.402 2.627 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nccc(N4CCCC4)n3)C2)cc1 ZINC000853758888 1300261893 /nfs/dbraw/zinc/26/18/93/1300261893.db2.gz MDIDNVBUVMONTJ-HNNXBMFYSA-N 0 0 339.443 2.776 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ccncc3Br)C2)cc1 ZINC000853758928 1300262071 /nfs/dbraw/zinc/26/20/71/1300262071.db2.gz NHBICAXUCIGBDG-GFCCVEGCSA-N 0 0 348.244 2.965 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc([C@H](C)OC)ns3)C2)cc1 ZINC000853760365 1300262277 /nfs/dbraw/zinc/26/22/77/1300262277.db2.gz KBIDCBVZVXUIRR-RYUDHWBXSA-N 0 0 334.445 2.945 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccnc4c3c(C)nn4C)C2)cc1 ZINC000853761330 1300263875 /nfs/dbraw/zinc/26/38/75/1300263875.db2.gz SDPMHOWTCZCUBB-AWEZNQCLSA-N 0 0 337.427 2.976 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(C4CCC4)CC3)cc2N1 ZINC000853802451 1300283839 /nfs/dbraw/zinc/28/38/39/1300283839.db2.gz WQIKFWLFXPDTEK-UHFFFAOYSA-N 0 0 331.372 2.942 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000853803297 1300284128 /nfs/dbraw/zinc/28/41/28/1300284128.db2.gz CQIJOWOUEHHCLC-LRGSNQRWSA-N 0 0 348.399 2.768 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000853813117 1300288858 /nfs/dbraw/zinc/28/88/58/1300288858.db2.gz SCAJOXNGYQHSDA-MTENODCZSA-N 0 0 348.399 2.768 10 10 EFCERN CCCn1nccc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853817471 1300292069 /nfs/dbraw/zinc/29/20/69/1300292069.db2.gz GOOMRWQFBSPSTB-CQSZACIVSA-N 0 0 343.431 2.702 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C)nc3)C2)cc1 ZINC000853817630 1300292440 /nfs/dbraw/zinc/29/24/40/1300292440.db2.gz IIWKJTQRMFRVOD-OAHLLOKOSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(C)n3)C2)cc1 ZINC000853818622 1300292931 /nfs/dbraw/zinc/29/29/31/1300292931.db2.gz XLVJKNZGGDDVNK-AWEZNQCLSA-N 0 0 326.400 2.799 10 10 EFCERN Cc1cc(CC(=O)OCCC2OCCO2)c(C)n1-c1ccccc1 ZINC000853935468 1300349622 /nfs/dbraw/zinc/34/96/22/1300349622.db2.gz ZDSVQVNTBXXVFT-UHFFFAOYSA-N 0 0 329.396 2.943 10 10 EFCERN CO[C@H](C)c1nsc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955665 1300361915 /nfs/dbraw/zinc/36/19/15/1300361915.db2.gz VCJASXFTQOHAAQ-GFCCVEGCSA-N 0 0 348.472 2.819 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000854177506 1300463232 /nfs/dbraw/zinc/46/32/32/1300463232.db2.gz XZHFZNAWBMGZFN-JCGIZDLHSA-N 0 0 345.487 2.595 10 10 EFCERN CCc1nnc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000854186802 1300466289 /nfs/dbraw/zinc/46/62/89/1300466289.db2.gz XMJMSJCWUBTIDM-LLVKDONJSA-N 0 0 347.444 2.510 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cnn(C(C)C)c3)C2)cc1 ZINC000854227956 1300479488 /nfs/dbraw/zinc/47/94/88/1300479488.db2.gz XKJSERSBUJOLLH-AWEZNQCLSA-N 0 0 343.431 2.873 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)c2ccccn2)c1 ZINC000854261475 1300493727 /nfs/dbraw/zinc/49/37/27/1300493727.db2.gz CQZJUAQMMRIDKQ-CHWSQXEVSA-N 0 0 329.400 2.960 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)c2ccccn2)c1 ZINC000854261477 1300494357 /nfs/dbraw/zinc/49/43/57/1300494357.db2.gz CQZJUAQMMRIDKQ-QWHCGFSZSA-N 0 0 329.400 2.960 10 10 EFCERN CCC[C@]1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854297936 1300505457 /nfs/dbraw/zinc/50/54/57/1300505457.db2.gz TWOLJUQIDCTCIE-BEFAXECRSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3ccncc3)C2)cc1 ZINC000854302504 1300506078 /nfs/dbraw/zinc/50/60/78/1300506078.db2.gz LQKAFSJHULWWCV-MRXNPFEDSA-N 0 0 340.427 2.511 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1ccnc2c1CC(=O)N2 ZINC000854373738 1300540705 /nfs/dbraw/zinc/54/07/05/1300540705.db2.gz LCYFTXRXULRMSC-UHFFFAOYSA-N 0 0 339.395 2.724 10 10 EFCERN Cc1cc(CC(=O)N[C@@](C)(C(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000854425213 1300562407 /nfs/dbraw/zinc/56/24/07/1300562407.db2.gz ZHOZRXUITWWJSJ-HXUWFJFHSA-N 0 0 341.455 2.653 10 10 EFCERN CO[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000854442292 1300568701 /nfs/dbraw/zinc/56/87/01/1300568701.db2.gz MQNHYQFEMLZBGU-JOYOIKCWSA-N 0 0 328.206 2.586 10 10 EFCERN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000854442002 1300568771 /nfs/dbraw/zinc/56/87/71/1300568771.db2.gz CRBOZANIXDIKGU-IINYFYTJSA-N 0 0 342.233 2.976 10 10 EFCERN CO[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000854442350 1300569285 /nfs/dbraw/zinc/56/92/85/1300569285.db2.gz PAAKJDOFRBQDQQ-ZDUSSCGKSA-N 0 0 328.206 2.586 10 10 EFCERN Cc1cc(CC(=O)N[C@@H](C)c2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000854448506 1300571206 /nfs/dbraw/zinc/57/12/06/1300571206.db2.gz WDMUDIAPCAWRCH-ZDUSSCGKSA-N 0 0 337.427 2.941 10 10 EFCERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1 ZINC000776748337 1300612195 /nfs/dbraw/zinc/61/21/95/1300612195.db2.gz BQVKDIZNYBPTSE-UHFFFAOYSA-N 0 0 335.381 2.596 10 10 EFCERN Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC000854885172 1300720698 /nfs/dbraw/zinc/72/06/98/1300720698.db2.gz BEYFRRCAALYTQI-VQIMIIECSA-N 0 0 326.440 2.914 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)[C@H]2CCCO2)cc1 ZINC000855020437 1300766425 /nfs/dbraw/zinc/76/64/25/1300766425.db2.gz PKKKXYPLGVYVMB-CRAIPNDOSA-N 0 0 334.460 2.795 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)n3ccc(C)n3)C2)cc1 ZINC000855223074 1300844616 /nfs/dbraw/zinc/84/46/16/1300844616.db2.gz DWWFKVRVKMAXRQ-JKSUJKDBSA-N 0 0 342.443 2.546 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)cc1 ZINC000855223515 1300845140 /nfs/dbraw/zinc/84/51/40/1300845140.db2.gz BBKGTBWKACMYLA-HOCLYGCPSA-N 0 0 334.460 2.577 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3OC(C)(C)C)C2)cc1 ZINC000855223495 1300845433 /nfs/dbraw/zinc/84/54/33/1300845433.db2.gz AUPHPPCEAXWOSO-KBRIMQKVSA-N 0 0 332.444 2.594 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC34CCSCC4)C2)cc1 ZINC000855222789 1300845714 /nfs/dbraw/zinc/84/57/14/1300845714.db2.gz AHRHRQLXFYNCCT-WMLDXEAASA-N 0 0 346.496 2.923 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCCc3ncc(C)o3)C2)cc1 ZINC000855223475 1300845943 /nfs/dbraw/zinc/84/59/43/1300845943.db2.gz HMQDFTZDUDDCGY-HNNXBMFYSA-N 0 0 343.427 2.709 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCCc3cccnc3)C2)cc1 ZINC000855222943 1300845959 /nfs/dbraw/zinc/84/59/59/1300845959.db2.gz DNQOESDQJMKGLX-KRWDZBQOSA-N 0 0 339.439 2.808 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)C3CCCCC3)C2)cc1 ZINC000855224420 1300846486 /nfs/dbraw/zinc/84/64/86/1300846486.db2.gz FYAWHPMQKVIYTI-QFBILLFUSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)cc1 ZINC000855224530 1300847768 /nfs/dbraw/zinc/84/77/68/1300847768.db2.gz LMIPOWPGHFMTPM-CQSZACIVSA-N 0 0 342.443 2.655 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3nc(C)cs3)C2)cc1 ZINC000855226933 1300848977 /nfs/dbraw/zinc/84/89/77/1300848977.db2.gz UXFZBMLUJISWBS-CQSZACIVSA-N 0 0 345.468 2.788 10 10 EFCERN CCCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000855226982 1300849098 /nfs/dbraw/zinc/84/90/98/1300849098.db2.gz RXDVYVZRMFTZLA-CYBMUJFWSA-N 0 0 329.400 2.644 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(F)ccc(O)c3F)C2)cc1 ZINC000855226929 1300849147 /nfs/dbraw/zinc/84/91/47/1300849147.db2.gz UVOBSDJHHJKDBU-LLVKDONJSA-N 0 0 348.349 2.688 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000855226521 1300849572 /nfs/dbraw/zinc/84/95/72/1300849572.db2.gz QFXCBSNKEMOEHS-BXWFABGCSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1 ZINC000855227299 1300849744 /nfs/dbraw/zinc/84/97/44/1300849744.db2.gz XCSFERZDCAKXPY-ZYSHUDEJSA-N 0 0 337.423 2.589 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000855229295 1300850244 /nfs/dbraw/zinc/85/02/44/1300850244.db2.gz MHCSHJDSRLSEAG-HNNXBMFYSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000855229223 1300850277 /nfs/dbraw/zinc/85/02/77/1300850277.db2.gz LFVCNSAMYGGBDB-CYBMUJFWSA-N 0 0 333.819 2.696 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3c(C)noc3C)C2)cc1 ZINC000855230045 1300850410 /nfs/dbraw/zinc/85/04/10/1300850410.db2.gz SDNLRUSPXHKWLE-HNNXBMFYSA-N 0 0 343.427 2.628 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)C)no3)C2)cc1 ZINC000855229916 1300850725 /nfs/dbraw/zinc/85/07/25/1300850725.db2.gz CWGNTOIYMQBOIS-CYBMUJFWSA-N 0 0 329.400 2.815 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CN(C)c3ccccc3)C2)cc1 ZINC000855229180 1300850863 /nfs/dbraw/zinc/85/08/63/1300850863.db2.gz IJHOIQQYQFDBMP-INIZCTEOSA-N 0 0 339.439 2.527 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCC3CCOCC3)C2)cc1 ZINC000855229549 1300850874 /nfs/dbraw/zinc/85/08/74/1300850874.db2.gz ALTVNAAHQAXJRE-INIZCTEOSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2)cc1 ZINC000855229808 1300850974 /nfs/dbraw/zinc/85/09/74/1300850974.db2.gz QTDKAEDRAVMQJQ-ZDUSSCGKSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ncoc3C(C)C)C2)cc1 ZINC000855230289 1300851023 /nfs/dbraw/zinc/85/10/23/1300851023.db2.gz FSMFSJZXWVXRHJ-CYBMUJFWSA-N 0 0 329.400 2.815 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)C)no3)C2)cc1 ZINC000855229918 1300851205 /nfs/dbraw/zinc/85/12/05/1300851205.db2.gz CWGNTOIYMQBOIS-ZDUSSCGKSA-N 0 0 329.400 2.815 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CSC(F)(F)F)C2)cc1 ZINC000855230433 1300851682 /nfs/dbraw/zinc/85/16/82/1300851682.db2.gz DGGWHVFBCNLPJU-JTQLQIEISA-N 0 0 334.363 2.643 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COC3CCCCC3)C2)cc1 ZINC000855231673 1300852245 /nfs/dbraw/zinc/85/22/45/1300852245.db2.gz KQVWOCZMXRMJGF-OAHLLOKOSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000855231856 1300852861 /nfs/dbraw/zinc/85/28/61/1300852861.db2.gz MWOVRJPTDRVECT-LBPRGKRZSA-N 0 0 347.396 2.674 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccncc3Cl)C2)cc1 ZINC000855231427 1300853181 /nfs/dbraw/zinc/85/31/81/1300853181.db2.gz MIYLASYNHKYJIP-GFCCVEGCSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)cc1 ZINC000855234941 1300854929 /nfs/dbraw/zinc/85/49/29/1300854929.db2.gz RJBIYGFKFWQSOR-ZDUSSCGKSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COc3cccc(C)c3)C2)cc1 ZINC000855234864 1300854961 /nfs/dbraw/zinc/85/49/61/1300854961.db2.gz OOSZVHHDUGCOGG-MRXNPFEDSA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CSc3ccncc3)C2)cc1 ZINC000855235131 1300855361 /nfs/dbraw/zinc/85/53/61/1300855361.db2.gz YFTYWHYYFXCGPP-CQSZACIVSA-N 0 0 343.452 2.577 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000855772309 1301101215 /nfs/dbraw/zinc/10/12/15/1301101215.db2.gz LGSZDKBDAQFPLY-NNTYKDFWSA-N 0 0 339.391 2.800 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H]2CCOC2)c1 ZINC000859263921 1301414823 /nfs/dbraw/zinc/41/48/23/1301414823.db2.gz POVRGVFBVQKJNQ-SFHVURJKSA-N 0 0 326.396 2.768 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)COCC(F)F)cc2)CC1 ZINC000859283138 1301417000 /nfs/dbraw/zinc/41/70/00/1301417000.db2.gz IRNUTFANDNTXAV-UHFFFAOYSA-N 0 0 326.387 2.821 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860048924 1301683949 /nfs/dbraw/zinc/68/39/49/1301683949.db2.gz KKVAZPLDZXURPI-QGZVFWFLSA-N 0 0 338.407 2.658 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000860049635 1301684420 /nfs/dbraw/zinc/68/44/20/1301684420.db2.gz YFMJAMDDCAMHNJ-HNNXBMFYSA-N 0 0 346.427 2.964 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860048923 1301684664 /nfs/dbraw/zinc/68/46/64/1301684664.db2.gz KKVAZPLDZXURPI-KRWDZBQOSA-N 0 0 338.407 2.658 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)COCc1ccc(OC)nc1 ZINC000860049052 1301684812 /nfs/dbraw/zinc/68/48/12/1301684812.db2.gz PNVFBAQJHNPEIB-UHFFFAOYSA-N 0 0 344.411 2.751 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccn(C2CCOCC2)n1 ZINC000860048757 1301685184 /nfs/dbraw/zinc/68/51/84/1301685184.db2.gz CRXXGVCSOLBNJJ-UHFFFAOYSA-N 0 0 343.427 2.993 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H](O)C(C)C)ccc1C ZINC000860089150 1301695542 /nfs/dbraw/zinc/69/55/42/1301695542.db2.gz AFBHDJFWMVCNDW-IBGZPJMESA-N 0 0 342.439 2.962 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2ocnc2C(F)F)cc1 ZINC000862129392 1302291950 /nfs/dbraw/zinc/29/19/50/1302291950.db2.gz OOMHAPOXHSINBM-UHFFFAOYSA-N 0 0 339.342 2.829 10 10 EFCERN CN(C)c1cc(F)c(CN2Cc3ccccc3NC(=O)C2)cc1F ZINC000862407257 1302371877 /nfs/dbraw/zinc/37/18/77/1302371877.db2.gz WHISTPZVOPYAPJ-UHFFFAOYSA-N 0 0 331.366 2.985 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cccc(C)c1O ZINC000862473842 1302391608 /nfs/dbraw/zinc/39/16/08/1302391608.db2.gz BBPGZYPQEZYAHY-KRWDZBQOSA-N 0 0 329.396 2.583 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1ccc2c(c1)CCO2 ZINC000862473940 1302391701 /nfs/dbraw/zinc/39/17/01/1302391701.db2.gz DHTBYVFCMHXTQS-GOSISDBHSA-N 0 0 341.407 2.504 10 10 EFCERN COC(=O)c1ccc(F)c2c1CN(Cc1cccc(OC)c1O)CC2 ZINC000862468260 1302393265 /nfs/dbraw/zinc/39/32/65/1302393265.db2.gz DIVJAPFRBLOFSO-UHFFFAOYSA-N 0 0 345.370 2.885 10 10 EFCERN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862486273 1302398126 /nfs/dbraw/zinc/39/81/26/1302398126.db2.gz BXPWTTIIXXOLML-LBPRGKRZSA-N 0 0 340.763 2.695 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000862486061 1302398500 /nfs/dbraw/zinc/39/85/00/1302398500.db2.gz UCKGWDJTGWQDMN-KRWDZBQOSA-N 0 0 338.404 2.730 10 10 EFCERN COC(=O)c1ccc(F)c2c1CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000862691419 1302441283 /nfs/dbraw/zinc/44/12/83/1302441283.db2.gz NLFNIVKKNYMYSW-UHFFFAOYSA-N 0 0 335.356 2.578 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000862760065 1302451253 /nfs/dbraw/zinc/45/12/53/1302451253.db2.gz KQOOUYCBUFLSPK-JKSUJKDBSA-N 0 0 339.391 2.892 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000862758560 1302451299 /nfs/dbraw/zinc/45/12/99/1302451299.db2.gz CTUCCGDTOSWPJT-IAGOWNOFSA-N 0 0 344.455 2.746 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000862759893 1302451396 /nfs/dbraw/zinc/45/13/96/1302451396.db2.gz KFMSVXSLXDDMBA-UHFFFAOYSA-N 0 0 340.301 2.967 10 10 EFCERN Cc1cc(C(=O)N[C@H]2COCCC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000862930741 1302508837 /nfs/dbraw/zinc/50/88/37/1302508837.db2.gz AKSHLFASMUIQBS-INIZCTEOSA-N 0 0 346.814 2.835 10 10 EFCERN CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000863163461 1302545020 /nfs/dbraw/zinc/54/50/20/1302545020.db2.gz DUEQCKBHBIMPMG-VQIMIIECSA-N 0 0 342.439 2.762 10 10 EFCERN CCn1nnc(C)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863163516 1302545684 /nfs/dbraw/zinc/54/56/84/1302545684.db2.gz GVKJZCJCWNGGKJ-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](CCF)C2)c1O ZINC000863317734 1302585845 /nfs/dbraw/zinc/58/58/45/1302585845.db2.gz PBAQDVSQELIBFN-AWEZNQCLSA-N 0 0 347.386 2.892 10 10 EFCERN Cc1oc(C2CC2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000795492174 1302590324 /nfs/dbraw/zinc/59/03/24/1302590324.db2.gz CYHKDSVFUWSJIU-UHFFFAOYSA-N 0 0 341.411 2.627 10 10 EFCERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000863505831 1302637173 /nfs/dbraw/zinc/63/71/73/1302637173.db2.gz RNPJJRCUNUJTFO-SJCJKPOMSA-N 0 0 339.395 2.968 10 10 EFCERN Cn1cc(/C=C2/SC(=S)N(C3CC3)C2=O)c(Br)n1 ZINC000864354720 1302898591 /nfs/dbraw/zinc/89/85/91/1302898591.db2.gz ANNYTKBJUQZZHZ-XBXARRHUSA-N 0 0 344.259 2.546 10 10 EFCERN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000864508979 1302954523 /nfs/dbraw/zinc/95/45/23/1302954523.db2.gz GQTHGMLPLMGOGU-JSGCOSHPSA-N 0 0 328.206 2.888 10 10 EFCERN O=C([O-])C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000864523973 1302960305 /nfs/dbraw/zinc/96/03/05/1302960305.db2.gz PLFDJPQDNMXLKO-GOSISDBHSA-N 0 0 346.471 2.894 10 10 EFCERN O=C([O-])C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000864523974 1302960416 /nfs/dbraw/zinc/96/04/16/1302960416.db2.gz PLFDJPQDNMXLKO-SFHVURJKSA-N 0 0 346.471 2.894 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C(F)F)CCC1 ZINC000864635046 1303007919 /nfs/dbraw/zinc/00/79/19/1303007919.db2.gz QEBNNPZDVVDYMB-UHFFFAOYSA-N 0 0 338.398 2.917 10 10 EFCERN C[C@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000865018540 1303122835 /nfs/dbraw/zinc/12/28/35/1303122835.db2.gz MHVSRIQWVXKFON-HOTGVXAUSA-N 0 0 339.439 2.899 10 10 EFCERN Cc1cnc(F)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000865017774 1303122940 /nfs/dbraw/zinc/12/29/40/1303122940.db2.gz ACQQATACCRFHFD-AWEZNQCLSA-N 0 0 343.402 2.857 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccc(-c4cn[nH]c4)cn3)ccc21 ZINC000865052800 1303139560 /nfs/dbraw/zinc/13/95/60/1303139560.db2.gz FVMHHPYYSPABEC-UHFFFAOYSA-N 0 0 347.422 2.784 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000865055048 1303140997 /nfs/dbraw/zinc/14/09/97/1303140997.db2.gz XTVLXHZPRRPZKD-DLBZAZTESA-N 0 0 344.455 2.665 10 10 EFCERN CCO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC000865054387 1303141290 /nfs/dbraw/zinc/14/12/90/1303141290.db2.gz PGHJVFWIEWRLNS-IBGZPJMESA-N 0 0 346.471 2.517 10 10 EFCERN CCN1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S ZINC000038182082 1303143566 /nfs/dbraw/zinc/14/35/66/1303143566.db2.gz PDSIKNQEIIPDOR-KTKRTIGZSA-N 0 0 335.366 2.788 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCc1cc(C)on1 ZINC000865226967 1303195750 /nfs/dbraw/zinc/19/57/50/1303195750.db2.gz HPKGIMGGAOUACE-UHFFFAOYSA-N 0 0 332.473 2.946 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(F)cc1[N+](=O)[O-] ZINC000865418111 1303246968 /nfs/dbraw/zinc/24/69/68/1303246968.db2.gz ICLLLTIQNPIFLE-UHFFFAOYSA-N 0 0 346.362 2.602 10 10 EFCERN CCOC(=O)CCc1cc(NCc2cccc(OC)c2O)nc(C)n1 ZINC000865501580 1303285154 /nfs/dbraw/zinc/28/51/54/1303285154.db2.gz BRPAAVKYCHXEPU-UHFFFAOYSA-N 0 0 345.399 2.607 10 10 EFCERN CCn1cnc2c1nc(Cl)nc2NCc1cc(OC)ccc1O ZINC000865538099 1303301260 /nfs/dbraw/zinc/30/12/60/1303301260.db2.gz GOELVVVEGXROKV-UHFFFAOYSA-N 0 0 333.779 2.826 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865694678 1303368098 /nfs/dbraw/zinc/36/80/98/1303368098.db2.gz KEKFPAOEZWDUIQ-MRMHNGOSSA-N 0 0 338.245 2.976 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000866129025 1303536953 /nfs/dbraw/zinc/53/69/53/1303536953.db2.gz BWPUHTVYARGWDN-AEFFLSMTSA-N 0 0 331.460 2.757 10 10 EFCERN COc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)c(OC)c1 ZINC000866137154 1303540158 /nfs/dbraw/zinc/54/01/58/1303540158.db2.gz FSCCEMVFQMECJC-UHFFFAOYSA-N 0 0 340.427 2.698 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000866205160 1303561494 /nfs/dbraw/zinc/56/14/94/1303561494.db2.gz BGDKLRRFHANTTE-FJDWXNHUSA-N 0 0 348.424 2.970 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000866442229 1303641238 /nfs/dbraw/zinc/64/12/38/1303641238.db2.gz HNQDHBODZWXKBF-AWEZNQCLSA-N 0 0 346.443 2.950 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCOC(C)(C)C ZINC000866442150 1303641835 /nfs/dbraw/zinc/64/18/35/1303641835.db2.gz FKJFOBHKYXSGQP-UHFFFAOYSA-N 0 0 342.505 2.719 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cc(C)cnc3F)CC2)cc1F ZINC000866460454 1303649336 /nfs/dbraw/zinc/64/93/36/1303649336.db2.gz WJIHCRJSGQAFDB-UHFFFAOYSA-N 0 0 347.365 2.639 10 10 EFCERN O=S(=O)(C[C@H]1CCC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000866484763 1303658021 /nfs/dbraw/zinc/65/80/21/1303658021.db2.gz CWYIRABQCCARHY-CQSZACIVSA-N 0 0 344.427 2.752 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000866565123 1303688691 /nfs/dbraw/zinc/68/86/91/1303688691.db2.gz IFONXULYCUMYQX-SECBINFHSA-N 0 0 339.342 2.701 10 10 EFCERN CC1(C)Cc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2O1 ZINC000866756074 1303781347 /nfs/dbraw/zinc/78/13/47/1303781347.db2.gz NLSVDIBPNMGPQJ-UHFFFAOYSA-N 0 0 327.380 2.784 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cn3c(C)csc3n2)c1 ZINC000866764185 1303782984 /nfs/dbraw/zinc/78/29/84/1303782984.db2.gz LLZOSVISJSNZOC-LLVKDONJSA-N 0 0 345.424 2.838 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cn3c(C)csc3n2)c1 ZINC000866764186 1303783223 /nfs/dbraw/zinc/78/32/23/1303783223.db2.gz LLZOSVISJSNZOC-NSHDSACASA-N 0 0 345.424 2.838 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)c1 ZINC000866763455 1303783588 /nfs/dbraw/zinc/78/35/88/1303783588.db2.gz DVZGEPPKAOSAGF-ZETCQYMHSA-N 0 0 329.278 2.634 10 10 EFCERN COc1ccc(O)c(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c1 ZINC000866767071 1303784121 /nfs/dbraw/zinc/78/41/21/1303784121.db2.gz ISWCTRVUDBZUGZ-PBWFPOADSA-N 0 0 331.412 2.803 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](C)CC3)c1 ZINC000866765630 1303784201 /nfs/dbraw/zinc/78/42/01/1303784201.db2.gz XUPGEHKOWAOSEB-VXGBXAGGSA-N 0 0 329.400 2.671 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]ncc1C(F)(F)F ZINC000866771365 1303786943 /nfs/dbraw/zinc/78/69/43/1303786943.db2.gz RCTHAZKLPIJABZ-UHFFFAOYSA-N 0 0 339.317 2.943 10 10 EFCERN C[C@H](NC(=O)/C=C/COC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502926 1303836576 /nfs/dbraw/zinc/83/65/76/1303836576.db2.gz FMDGKWGIFUWTMQ-RGDDUWESSA-N 0 0 332.444 2.682 10 10 EFCERN C[C@@H](NC(=O)c1[nH]ncc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867503639 1303836960 /nfs/dbraw/zinc/83/69/60/1303836960.db2.gz OFCFXUMSKWZZIF-SECBINFHSA-N 0 0 326.322 2.986 10 10 EFCERN CCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000867690839 1303911533 /nfs/dbraw/zinc/91/15/33/1303911533.db2.gz UQSHRDZNDJOHOC-UHFFFAOYSA-N 0 0 333.409 2.804 10 10 EFCERN O=S(=O)(C[C@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000867690233 1303911683 /nfs/dbraw/zinc/91/16/83/1303911683.db2.gz DTTOVSNHMISIRH-GFCCVEGCSA-N 0 0 331.384 2.863 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2O)[C@H](C)O1 ZINC000867830535 1303975117 /nfs/dbraw/zinc/97/51/17/1303975117.db2.gz BHVYIKVJGOKXRA-YWVKMMECSA-N 0 0 328.206 2.584 10 10 EFCERN C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2O)[C@H](C)O1 ZINC000867830533 1303975872 /nfs/dbraw/zinc/97/58/72/1303975872.db2.gz BHVYIKVJGOKXRA-WCABBAIRSA-N 0 0 328.206 2.584 10 10 EFCERN CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836163 1303979168 /nfs/dbraw/zinc/97/91/68/1303979168.db2.gz IAVZBRAWKQGLRM-HOCLYGCPSA-N 0 0 349.452 2.630 10 10 EFCERN C[C@H](NS(=O)(=O)c1cccc2c1OCCCO2)c1ccccc1O ZINC000867836400 1303979225 /nfs/dbraw/zinc/97/92/25/1303979225.db2.gz RQNSAZPTGMQLDC-LBPRGKRZSA-N 0 0 349.408 2.593 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000868112892 1304133303 /nfs/dbraw/zinc/13/33/03/1304133303.db2.gz RDPUCXXCWCADPZ-WAARBJQMSA-N 0 0 343.471 2.755 10 10 EFCERN C[C@@H](NC(=O)NCc1nccn1CC(F)(F)F)c1ccccc1O ZINC000868220158 1304194049 /nfs/dbraw/zinc/19/40/49/1304194049.db2.gz VSYFOJSWYLBEOT-SNVBAGLBSA-N 0 0 342.321 2.711 10 10 EFCERN C[C@H](NC(=O)NCC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000868413171 1304284966 /nfs/dbraw/zinc/28/49/66/1304284966.db2.gz FYMIEGNLGOTWDB-UONOGXRCSA-N 0 0 342.395 2.983 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000868514414 1304333595 /nfs/dbraw/zinc/33/35/95/1304333595.db2.gz BZXOBWGJMYCHSA-BBRMVZONSA-N 0 0 327.432 2.844 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1ccnn1C ZINC000868711205 1304435594 /nfs/dbraw/zinc/43/55/94/1304435594.db2.gz QAEMPTDUCQPOHP-GJZGRUSLSA-N 0 0 343.475 2.786 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3F)C2)cc1 ZINC000868761446 1304460403 /nfs/dbraw/zinc/46/04/03/1304460403.db2.gz CNNYXAYUDCVXDQ-RRQGHBQHSA-N 0 0 335.423 2.854 10 10 EFCERN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868790274 1304476676 /nfs/dbraw/zinc/47/66/76/1304476676.db2.gz SCZLJEORTQHEHP-PNPHSEOMSA-N 0 0 334.416 2.874 10 10 EFCERN CCO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000868891050 1304521351 /nfs/dbraw/zinc/52/13/51/1304521351.db2.gz ZSTOXAXUZRTBQJ-SUMDDJOVSA-N 0 0 348.487 2.550 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCC[C@@H]1F ZINC000868921912 1304534335 /nfs/dbraw/zinc/53/43/35/1304534335.db2.gz NVMWUFSIKCSHEQ-ZWKOTPCHSA-N 0 0 349.450 2.728 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000868936396 1304541098 /nfs/dbraw/zinc/54/10/98/1304541098.db2.gz BYNOOJLSDGTJEF-UONOGXRCSA-N 0 0 342.395 2.536 10 10 EFCERN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000868938773 1304542257 /nfs/dbraw/zinc/54/22/57/1304542257.db2.gz WTYMGKOOGAGZMC-XAUUPUKJSA-N 0 0 326.396 2.762 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000869000561 1304571118 /nfs/dbraw/zinc/57/11/18/1304571118.db2.gz LSZGTJXSOYHBFI-CRAIPNDOSA-N 0 0 349.450 2.896 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC000869143094 1304630988 /nfs/dbraw/zinc/63/09/88/1304630988.db2.gz XTVVJDIRGHHCGJ-MJGOQNOKSA-N 0 0 332.444 2.549 10 10 EFCERN CCOC1CC2(C[C@@H]2C(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000869142989 1304631535 /nfs/dbraw/zinc/63/15/35/1304631535.db2.gz SEFGEQXYIRVEDT-QPIRBTGLSA-N 0 0 346.471 2.795 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccnc3Cl)C2)cc1 ZINC000869229497 1304670645 /nfs/dbraw/zinc/67/06/45/1304670645.db2.gz XGMAODFTSXBOIV-AWEZNQCLSA-N 0 0 345.830 2.681 10 10 EFCERN CCOCCCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295343 1304702851 /nfs/dbraw/zinc/70/28/51/1304702851.db2.gz SFAILGNZCHJIJM-UHFFFAOYSA-N 0 0 348.487 2.861 10 10 EFCERN Cc1ccncc1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796508384 1304739391 /nfs/dbraw/zinc/73/93/91/1304739391.db2.gz HDSOAYPYZUAVRD-UHFFFAOYSA-N 0 0 340.471 2.546 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000869706906 1304924280 /nfs/dbraw/zinc/92/42/80/1304924280.db2.gz KAMNBTYFLPGBMN-JXFKEZNVSA-N 0 0 344.455 2.835 10 10 EFCERN COc1ccc([C@H]2CN(C(=O)c3ccc(C)c(O)c3O)CCO2)cc1 ZINC000870100496 1305134904 /nfs/dbraw/zinc/13/49/04/1305134904.db2.gz HPLWOHPTBZVZHC-MRXNPFEDSA-N 0 0 343.379 2.629 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)c(OC)c1 ZINC000870167691 1305186145 /nfs/dbraw/zinc/18/61/45/1305186145.db2.gz OKPAWVFBPDCAMU-HOTGVXAUSA-N 0 0 332.444 2.645 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c(OC)c1 ZINC000870166667 1305186163 /nfs/dbraw/zinc/18/61/63/1305186163.db2.gz SGLCZDLULRYQCC-BZUAXINKSA-N 0 0 344.455 2.789 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCC1([C@H]2CCCCO2)CCC1 ZINC000871044066 1305764769 /nfs/dbraw/zinc/76/47/69/1305764769.db2.gz DLIYBQOZBIQHGK-DBWMJRBXSA-N 0 0 331.412 2.967 10 10 EFCERN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198770 1305884757 /nfs/dbraw/zinc/88/47/57/1305884757.db2.gz OKLNDEWHGMELSQ-KRWDZBQOSA-N 0 0 336.391 2.539 10 10 EFCERN CCc1[nH]c(C(=O)N2Cc3cccc(O)c3C2)c(C)c1C(=O)OC ZINC000871199612 1305885795 /nfs/dbraw/zinc/88/57/95/1305885795.db2.gz ZVQJFESPDSLCFB-UHFFFAOYSA-N 0 0 328.368 2.534 10 10 EFCERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871199317 1305886294 /nfs/dbraw/zinc/88/62/94/1305886294.db2.gz WGIZIHJWSTZULK-UHFFFAOYSA-N 0 0 345.782 2.902 10 10 EFCERN CC(C)C(=O)Nc1nc(CC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871200604 1305887213 /nfs/dbraw/zinc/88/72/13/1305887213.db2.gz HSGMADDFQZLWEO-UHFFFAOYSA-N 0 0 345.424 2.528 10 10 EFCERN CN(CCCC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC000871201192 1305887522 /nfs/dbraw/zinc/88/75/22/1305887522.db2.gz RSMPKSVZMPXSGK-UHFFFAOYSA-N 0 0 334.416 2.882 10 10 EFCERN CC(C)Cn1ncc2cc(C(=O)N3Cc4cccc(O)c4C3)cnc21 ZINC000871201667 1305888450 /nfs/dbraw/zinc/88/84/50/1305888450.db2.gz YEISSQUBLSZHNM-UHFFFAOYSA-N 0 0 336.395 2.949 10 10 EFCERN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203726 1305888948 /nfs/dbraw/zinc/88/89/48/1305888948.db2.gz FDFWHNYNABFVQT-MRXNPFEDSA-N 0 0 325.364 2.716 10 10 EFCERN CC(C)(C)OC(=O)NCC1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205093 1305890673 /nfs/dbraw/zinc/89/06/73/1305890673.db2.gz WBBKLFGSZDQDGK-UHFFFAOYSA-N 0 0 332.400 2.539 10 10 EFCERN O=C(C[C@@H](n1cccn1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205920 1305890694 /nfs/dbraw/zinc/89/06/94/1305890694.db2.gz NYDNZEACOOWXNO-CYBMUJFWSA-N 0 0 325.290 2.625 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871205313 1305890829 /nfs/dbraw/zinc/89/08/29/1305890829.db2.gz YTVIBXKIXVPNOP-HNNXBMFYSA-N 0 0 346.427 2.928 10 10 EFCERN O=C([C@@H](C[C@@H]1CCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871206191 1305890896 /nfs/dbraw/zinc/89/08/96/1305890896.db2.gz VUMYKYHSKTXDAF-WCQYABFASA-N 0 0 329.318 2.982 10 10 EFCERN CC(C)C(=O)Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000871204983 1305891372 /nfs/dbraw/zinc/89/13/72/1305891372.db2.gz NJFPAPYQUDSGNY-UHFFFAOYSA-N 0 0 325.368 2.538 10 10 EFCERN CC(C)NC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000871204970 1305891398 /nfs/dbraw/zinc/89/13/98/1305891398.db2.gz NELWQEWWCQIGCA-UHFFFAOYSA-N 0 0 345.443 2.645 10 10 EFCERN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000871208611 1305893492 /nfs/dbraw/zinc/89/34/92/1305893492.db2.gz WRCJMOZHKUGZKR-LEJCZOIISA-N 0 0 347.411 2.691 10 10 EFCERN CCOc1cccnc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000748705620 1314088944 /nfs/dbraw/zinc/08/89/44/1314088944.db2.gz KJJOQGMPAIDCQU-UHFFFAOYSA-N 0 0 325.412 2.793 10 10 EFCERN Cc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900387039 1308112957 /nfs/dbraw/zinc/11/29/57/1308112957.db2.gz OVVMHAMGAYFSIA-LLVKDONJSA-N 0 0 348.834 2.699 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccn2nccc2n1 ZINC000900404286 1308131419 /nfs/dbraw/zinc/13/14/19/1308131419.db2.gz FSSNMNVYSFNHSC-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1F ZINC000900434981 1308160360 /nfs/dbraw/zinc/16/03/60/1308160360.db2.gz ULIUFMHHPNWFSU-MOBUCQHHSA-N 0 0 342.414 2.601 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000800651535 1308203123 /nfs/dbraw/zinc/20/31/23/1308203123.db2.gz BWYAJFGSDWDFMQ-HNNXBMFYSA-N 0 0 339.439 2.705 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000800651766 1308205981 /nfs/dbraw/zinc/20/59/81/1308205981.db2.gz MJKQIHTVACLZSK-HNNXBMFYSA-N 0 0 339.439 2.705 10 10 EFCERN O=C(NCCCSc1nccs1)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000900682000 1308520559 /nfs/dbraw/zinc/52/05/59/1308520559.db2.gz DEXJBBKFWPXSJI-KDYLLFBJSA-N 0 0 348.493 2.834 10 10 EFCERN CO[C@H](C)c1nsc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000800848164 1308544598 /nfs/dbraw/zinc/54/45/98/1308544598.db2.gz UIAOKRGCFHHAHU-GFCCVEGCSA-N 0 0 334.445 2.694 10 10 EFCERN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)Cn1ccnc1 ZINC000900788507 1308680833 /nfs/dbraw/zinc/68/08/33/1308680833.db2.gz WQVRIBIYVUQUFL-JTQLQIEISA-N 0 0 331.397 2.575 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000901126615 1309540045 /nfs/dbraw/zinc/54/00/45/1309540045.db2.gz DTVJCPYGKXZWII-RCDCFZSISA-N 0 0 341.407 2.671 10 10 EFCERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000801554988 1310518356 /nfs/dbraw/zinc/51/83/56/1310518356.db2.gz CDABTPBRTQXDTA-AWEZNQCLSA-N 0 0 331.343 2.971 10 10 EFCERN CC(=O)c1cc(O)ccc1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000901651608 1310824940 /nfs/dbraw/zinc/82/49/40/1310824940.db2.gz QUQPKIDEHUGLSV-UHFFFAOYSA-N 0 0 345.420 2.752 10 10 EFCERN C[C@@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000801747110 1310847345 /nfs/dbraw/zinc/84/73/45/1310847345.db2.gz KMWRVPRWSBWVHE-CJNGLKHVSA-N 0 0 349.500 2.777 10 10 EFCERN CC1(C)CCC[C@H](CS(=O)(=O)Nc2ccc(O)c(F)c2F)O1 ZINC000901679924 1310878070 /nfs/dbraw/zinc/87/80/70/1310878070.db2.gz FFLDODNDYCKYPI-SECBINFHSA-N 0 0 335.372 2.760 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(N2CCNC2=O)cc1 ZINC001159033192 1311437735 /nfs/dbraw/zinc/43/77/35/1311437735.db2.gz DPCMLAVWVIQZKY-UHFFFAOYSA-N 0 0 345.786 2.505 10 10 EFCERN CCN1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC000802371404 1311601419 /nfs/dbraw/zinc/60/14/19/1311601419.db2.gz SSPDYMWEXAVQEU-GOSISDBHSA-N 0 0 339.439 2.753 10 10 EFCERN COc1cc(CNC(=O)c2c(F)ccc(O)c2O)c2ccccc2n1 ZINC001160879142 1311801943 /nfs/dbraw/zinc/80/19/43/1311801943.db2.gz MBJFTUGULAFTGZ-UHFFFAOYSA-N 0 0 342.326 2.724 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCO[C@@H](C(F)F)C2)c1 ZINC000802654617 1311887932 /nfs/dbraw/zinc/88/79/32/1311887932.db2.gz YIAILYSGJMTJJT-LLVKDONJSA-N 0 0 336.176 2.929 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802659909 1311895206 /nfs/dbraw/zinc/89/52/06/1311895206.db2.gz PGUHHKIOLMJBLN-MEDUHNTESA-N 0 0 343.826 2.842 10 10 EFCERN O=C(CCc1cccc(OC(F)F)c1)NCc1ccc(O)cc1O ZINC001162279194 1312079377 /nfs/dbraw/zinc/07/93/77/1312079377.db2.gz VFZVSKHQKJFOHB-UHFFFAOYSA-N 0 0 337.322 2.948 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001162278783 1312079525 /nfs/dbraw/zinc/07/95/25/1312079525.db2.gz MPWGGSCGAQYRAC-NEPJUHHUSA-N 0 0 337.297 2.935 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2cccnc2)cc1 ZINC001162284492 1312080687 /nfs/dbraw/zinc/08/06/87/1312080687.db2.gz GNDJISIZCFQGHN-IBGZPJMESA-N 0 0 335.407 2.953 10 10 EFCERN CCCn1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765710 1312087560 /nfs/dbraw/zinc/08/75/60/1312087560.db2.gz ADAOYNZEHNPDHD-CVEARBPZSA-N 0 0 343.475 2.937 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ncnc2sccc21 ZINC001162612150 1312135745 /nfs/dbraw/zinc/13/57/45/1312135745.db2.gz DDPJYIWYYLUONT-UHFFFAOYSA-N 0 0 336.376 2.875 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2oc(=O)[nH]c2c1 ZINC001162613117 1312135792 /nfs/dbraw/zinc/13/57/92/1312135792.db2.gz WRIJJYQURBSYFX-UHFFFAOYSA-N 0 0 335.319 2.717 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001162612038 1312135987 /nfs/dbraw/zinc/13/59/87/1312135987.db2.gz AISJQCAZOYMWGP-UHFFFAOYSA-N 0 0 340.335 2.558 10 10 EFCERN COCc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162612416 1312136027 /nfs/dbraw/zinc/13/60/27/1312136027.db2.gz JBYDEDGCDDBCAM-UHFFFAOYSA-N 0 0 336.391 2.946 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000902908729 1312201525 /nfs/dbraw/zinc/20/15/25/1312201525.db2.gz TXIKIBNWTDVULE-CYBMUJFWSA-N 0 0 347.406 2.942 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000803213772 1312374342 /nfs/dbraw/zinc/37/43/42/1312374342.db2.gz ITHBCTWAJAIAMH-PWSUYJOCSA-N 0 0 328.206 2.586 10 10 EFCERN CCc1nc(C(=O)NCc2cccc(Br)c2O)c(C)o1 ZINC000803213378 1312375855 /nfs/dbraw/zinc/37/58/55/1312375855.db2.gz RVYIIXUPGCZJRV-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN CC(C)c1nc([C@@H](CO)NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC001163857006 1312396627 /nfs/dbraw/zinc/39/66/27/1312396627.db2.gz NQUZMEXJCDTYEO-TXNVCOODSA-N 0 0 348.424 2.541 10 10 EFCERN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903214253 1312468997 /nfs/dbraw/zinc/46/89/97/1312468997.db2.gz TXTGYHOIJQOPJJ-MNOVXSKESA-N 0 0 330.350 2.930 10 10 EFCERN C[C@H](C(=O)NCc1cc(Cl)ccc1O)N1Cc2ccccc2C1=O ZINC001165508134 1312639583 /nfs/dbraw/zinc/63/95/83/1312639583.db2.gz LVRWFEYUKZNYJP-LLVKDONJSA-N 0 0 344.798 2.706 10 10 EFCERN O=C(Cc1cccc2nsnc21)NCc1cc(Cl)ccc1O ZINC001165507183 1312639668 /nfs/dbraw/zinc/63/96/68/1312639668.db2.gz BNEBBCQCSODZFO-UHFFFAOYSA-N 0 0 333.800 2.909 10 10 EFCERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc(Cl)ccc1O ZINC001165508690 1312640399 /nfs/dbraw/zinc/64/03/99/1312640399.db2.gz UEPBHMSQYOBGKA-UHFFFAOYSA-N 0 0 338.722 2.952 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2COc3c(C)cccc3C2)c1 ZINC001251653693 1315363282 /nfs/dbraw/zinc/36/32/82/1315363282.db2.gz FIOUJGFLRPWSHQ-INIZCTEOSA-N 0 0 326.396 2.812 10 10 EFCERN CCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001251765839 1315376772 /nfs/dbraw/zinc/37/67/72/1315376772.db2.gz HLNYRHVYOKMSRW-QILLFSRXSA-N 0 0 333.476 2.859 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1CSc2ccccc2O1 ZINC001252325907 1315436076 /nfs/dbraw/zinc/43/60/76/1315436076.db2.gz YBVAJZXQHLTHPQ-NSHDSACASA-N 0 0 348.399 2.884 10 10 EFCERN O=C(Cc1n[nH]c2ccccc12)NCc1ccc2cccnc2c1O ZINC001299721971 1316378052 /nfs/dbraw/zinc/37/80/52/1316378052.db2.gz XWFAHORPNDIIDJ-UHFFFAOYSA-N 0 0 332.363 2.676 10 10 EFCERN C[C@@](O)(C(=O)NCc1ccc2cccnc2c1O)c1ccc(F)cc1 ZINC001299727024 1316384916 /nfs/dbraw/zinc/38/49/16/1316384916.db2.gz XEIDKSJRLJGJDC-IBGZPJMESA-N 0 0 340.354 2.603 10 10 EFCERN COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001261790332 1316430836 /nfs/dbraw/zinc/43/08/36/1316430836.db2.gz IHWNFLZHELYZOY-AWEZNQCLSA-N 0 0 342.443 2.759 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001261828321 1316432576 /nfs/dbraw/zinc/43/25/76/1316432576.db2.gz GRDCMZINQHVHAT-OXJNMPFZSA-N 0 0 338.407 2.504 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn2c1OCCC2 ZINC001264286905 1316602761 /nfs/dbraw/zinc/60/27/61/1316602761.db2.gz CMHXYYQDRPRKLG-UHFFFAOYSA-N 0 0 340.427 2.538 10 10 EFCERN C/C(=C/C(=O)N1C[C@H](n2cccn2)Cc2ccccc21)c1cnccn1 ZINC001265586028 1316829443 /nfs/dbraw/zinc/82/94/43/1316829443.db2.gz YEMJXJMMTUONEC-JBXOJTMHSA-N 0 0 345.406 2.907 10 10 EFCERN O=C(CCc1cncnc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001265741485 1316869820 /nfs/dbraw/zinc/86/98/20/1316869820.db2.gz UOYLKWPDHHPVHF-UHFFFAOYSA-N 0 0 344.378 2.758 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842036 1317364679 /nfs/dbraw/zinc/36/46/79/1317364679.db2.gz KGMBBOBOXLUIHQ-ZANVPECISA-N 0 0 330.197 2.905 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cc(C)[nH]c3C)CC2)cc1 ZINC001319624632 1328932245 /nfs/dbraw/zinc/93/22/45/1328932245.db2.gz SDNPWUWELIBHPH-UHFFFAOYSA-N 0 0 327.428 2.993 10 10 EFCERN CCN(Cc1ccccc1NC(=O)c1cccc(O)c1O)C(C)=O ZINC001290782188 1321961546 /nfs/dbraw/zinc/96/15/46/1321961546.db2.gz MDXYDOLTLNDMRN-UHFFFAOYSA-N 0 0 328.368 2.719 10 10 EFCERN C[N@H+](CCC1CCCCC1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737992480 1321978738 /nfs/dbraw/zinc/97/87/38/1321978738.db2.gz FCYKSPGOHOJICJ-UHFFFAOYSA-N 0 0 332.404 2.535 10 10 EFCERN C[C@H](COc1ccc(F)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001291927503 1322023612 /nfs/dbraw/zinc/02/36/12/1322023612.db2.gz BESWLTOLEJTZGB-AHAUYKDXSA-N 0 0 331.343 2.834 10 10 EFCERN CC(C)COc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001292005835 1322028878 /nfs/dbraw/zinc/02/88/78/1322028878.db2.gz DCXOAWNUNBLFAA-UHFFFAOYSA-N 0 0 329.396 2.992 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCn1ccnn1 ZINC001307152596 1322121598 /nfs/dbraw/zinc/12/15/98/1322121598.db2.gz OSDVKAZOSOYOTR-UHFFFAOYSA-N 0 0 337.339 2.529 10 10 EFCERN Cc1cc(CC(=O)N2CCN(C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398365 1322243655 /nfs/dbraw/zinc/24/36/55/1322243655.db2.gz JPYZPODVYDZZDY-INIZCTEOSA-N 0 0 325.456 2.799 10 10 EFCERN CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001293988767 1322390631 /nfs/dbraw/zinc/39/06/31/1322390631.db2.gz PZVNZNRUPPQRJO-MRXNPFEDSA-N 0 0 335.787 2.798 10 10 EFCERN C[C@H](O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001294264798 1322441047 /nfs/dbraw/zinc/44/10/47/1322441047.db2.gz HQUWLWLCGSDFQG-NSHDSACASA-N 0 0 326.356 2.832 10 10 EFCERN O=C([C@@H](O)c1ccccn1)N(Cc1ccco1)Cc1ccccc1O ZINC001294672695 1322541737 /nfs/dbraw/zinc/54/17/37/1322541737.db2.gz TTYFIOMPOOCZFA-SFHVURJKSA-N 0 0 338.363 2.643 10 10 EFCERN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)c1ccccc1F ZINC001294808642 1322567682 /nfs/dbraw/zinc/56/76/82/1322567682.db2.gz XVEXBNAFGYPRBR-HOCLYGCPSA-N 0 0 333.359 2.787 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1=C(c2ccccc2)SCCO1 ZINC001294872906 1322586564 /nfs/dbraw/zinc/58/65/64/1322586564.db2.gz XQWKUNSROTYAFN-UHFFFAOYSA-N 0 0 343.404 2.846 10 10 EFCERN Nc1c(C(=O)NCc2ccccc2O)cc2ccccc2c1[N+](=O)[O-] ZINC001294926019 1322600450 /nfs/dbraw/zinc/60/04/50/1322600450.db2.gz WUESJURCZOIBRP-UHFFFAOYSA-N 0 0 337.335 2.966 10 10 EFCERN O=C(NCc1ccccc1CO)c1cc2cc(O)c(O)cc2s1 ZINC001294968625 1322612211 /nfs/dbraw/zinc/61/22/11/1322612211.db2.gz LHNXXCZCWWOZBG-UHFFFAOYSA-N 0 0 329.377 2.735 10 10 EFCERN Cc1cc(CC(=O)N2CCSC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001295207558 1322652948 /nfs/dbraw/zinc/65/29/48/1322652948.db2.gz SFSZRDJWXZNRPF-SFHVURJKSA-N 0 0 344.480 2.573 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001295406405 1322695695 /nfs/dbraw/zinc/69/56/95/1322695695.db2.gz TZLSVIVAYJUUNK-LFVTVUPYSA-N 0 0 333.428 2.571 10 10 EFCERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1O ZINC001295728848 1322761290 /nfs/dbraw/zinc/76/12/90/1322761290.db2.gz CYAUUTZXMAVTME-KGLIPLIRSA-N 0 0 332.404 2.718 10 10 EFCERN COc1cccc2[nH]c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc21 ZINC001296246076 1322873359 /nfs/dbraw/zinc/87/33/59/1322873359.db2.gz KFVBXPIXJZQNMF-NSHDSACASA-N 0 0 340.379 2.949 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001296247043 1322873474 /nfs/dbraw/zinc/87/34/74/1322873474.db2.gz REBPVDBXTMLBNU-SECBINFHSA-N 0 0 334.303 2.506 10 10 EFCERN COC(=O)c1cnc(NCc2c(O)cccc2O)c(C(F)(F)F)c1 ZINC001307219148 1323037842 /nfs/dbraw/zinc/03/78/42/1323037842.db2.gz VEDJVEYAPGTVTJ-UHFFFAOYSA-N 0 0 342.273 2.910 10 10 EFCERN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297209655 1323121413 /nfs/dbraw/zinc/12/14/13/1323121413.db2.gz RZKGQTWLQRLPMA-CYBMUJFWSA-N 0 0 340.387 2.602 10 10 EFCERN O=Cc1ccc(C(=O)NCc2cccc(Br)c2O)s1 ZINC001297439401 1323217088 /nfs/dbraw/zinc/21/70/88/1323217088.db2.gz HBRUPXJJLKNYJA-UHFFFAOYSA-N 0 0 340.198 2.959 10 10 EFCERN CC(C)CCC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298530603 1323561789 /nfs/dbraw/zinc/56/17/89/1323561789.db2.gz JZQLRAMMNGHDLC-GFCCVEGCSA-N 0 0 347.419 2.520 10 10 EFCERN CCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626113 1323578079 /nfs/dbraw/zinc/57/80/79/1323578079.db2.gz QCMKDRFANHZNDX-VXGBXAGGSA-N 0 0 347.419 2.520 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2nc(F)ccc2Br)c1 ZINC001301046827 1324520327 /nfs/dbraw/zinc/52/03/27/1324520327.db2.gz MSDCPQHONFIDRR-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN Cc1cccc2c1C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 ZINC001301279516 1324533918 /nfs/dbraw/zinc/53/39/18/1324533918.db2.gz UZSOTJNQUXPVQA-AWEZNQCLSA-N 0 0 338.367 2.891 10 10 EFCERN Cc1cc(CNC(=O)Cn2ccccc2=O)c(C)n1-c1ccccc1 ZINC001302261955 1324569815 /nfs/dbraw/zinc/56/98/15/1324569815.db2.gz LYLIHHFYIFIQCJ-UHFFFAOYSA-N 0 0 335.407 2.572 10 10 EFCERN C[C@H](NC(=O)c1cnc(C2CCCC2)nc1N)c1ccccc1O ZINC001302538294 1324580056 /nfs/dbraw/zinc/58/00/56/1324580056.db2.gz MKUUOVKOHMXKAC-NSHDSACASA-N 0 0 326.400 2.913 10 10 EFCERN O=C(c1cnc(OCc2ccccc2)cn1)N1Cc2cccc(O)c2C1 ZINC001302788124 1324587377 /nfs/dbraw/zinc/58/73/77/1324587377.db2.gz UOSMMIJICZSKKR-UHFFFAOYSA-N 0 0 347.374 2.917 10 10 EFCERN COc1ccccc1-c1cc(C(=O)NCc2cccc(O)c2O)no1 ZINC001303192830 1324596889 /nfs/dbraw/zinc/59/68/89/1324596889.db2.gz AZRYTQNRIWEZLX-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc(-c2ccc(F)cc2)no1 ZINC001303195639 1324596918 /nfs/dbraw/zinc/59/69/18/1324596918.db2.gz YKVFVLFSIMZOLO-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN COc1cc(C(=O)NCc2cccc(O)c2O)ccc1OC(F)F ZINC001303192786 1324597344 /nfs/dbraw/zinc/59/73/44/1324597344.db2.gz ABROPHZCMGDZFZ-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN COCc1c2ccccc2oc1C(=O)NCc1cccc(O)c1O ZINC001303192816 1324597474 /nfs/dbraw/zinc/59/74/74/1324597474.db2.gz ARSHORKSVFVMDT-UHFFFAOYSA-N 0 0 327.336 2.920 10 10 EFCERN COc1ccc(C(C)(C)C(=O)NCc2cc(O)ccc2O)cc1OC ZINC001303225492 1324599269 /nfs/dbraw/zinc/59/92/69/1324599269.db2.gz JHLDYWWPOBRZKA-UHFFFAOYSA-N 0 0 345.395 2.709 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001303878622 1324624462 /nfs/dbraw/zinc/62/44/62/1324624462.db2.gz PLSFZCPOWLCIMQ-UHFFFAOYSA-N 0 0 346.749 2.695 10 10 EFCERN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cccc(O)c1O ZINC001303994891 1324630204 /nfs/dbraw/zinc/63/02/04/1324630204.db2.gz HJQNAVSIUICZLO-GFCCVEGCSA-N 0 0 341.285 2.580 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnc(-c2ccccn2)s1 ZINC001304053512 1324634939 /nfs/dbraw/zinc/63/49/39/1324634939.db2.gz MRKKZTWGFQGZRT-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1sc(=O)n(CC(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001304089959 1324636981 /nfs/dbraw/zinc/63/69/81/1324636981.db2.gz SLWAQYHIWBQKPT-UHFFFAOYSA-N 0 0 342.420 2.702 10 10 EFCERN COC(=O)/C=C/c1ccc(N(CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000749177240 1324650423 /nfs/dbraw/zinc/65/04/23/1324650423.db2.gz QUFTWZRITJZDGW-SOFGYWHQSA-N 0 0 336.388 2.626 10 10 EFCERN COC(=O)/C=C\c1ccc(N(CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000749177242 1324650485 /nfs/dbraw/zinc/65/04/85/1324650485.db2.gz QUFTWZRITJZDGW-VURMDHGXSA-N 0 0 336.388 2.626 10 10 EFCERN Cc1nc2ccccn2c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001304793048 1324662432 /nfs/dbraw/zinc/66/24/32/1324662432.db2.gz LOEJUMSSYODHJH-UHFFFAOYSA-N 0 0 336.355 2.735 10 10 EFCERN CC(=O)c1cccc(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001305069762 1324671989 /nfs/dbraw/zinc/67/19/89/1324671989.db2.gz NUJKJVADYGENRZ-UHFFFAOYSA-N 0 0 333.771 2.943 10 10 EFCERN CCC(C)(C)C(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901175388 1324725345 /nfs/dbraw/zinc/72/53/45/1324725345.db2.gz KLHCRRKIWICYCA-OAHLLOKOSA-N 0 0 333.428 2.905 10 10 EFCERN CCC(C)(C)C(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901175387 1324725636 /nfs/dbraw/zinc/72/56/36/1324725636.db2.gz KLHCRRKIWICYCA-HNNXBMFYSA-N 0 0 333.428 2.905 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccnc1Br ZINC001306898388 1324730034 /nfs/dbraw/zinc/73/00/34/1324730034.db2.gz BGUXDSFBMJGXAP-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000901756139 1324755819 /nfs/dbraw/zinc/75/58/19/1324755819.db2.gz UWEUYUFSOCAMCI-UHFFFAOYSA-N 0 0 344.386 2.650 10 10 EFCERN COC[C@]1(C(=O)[O-])CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000901866503 1324759269 /nfs/dbraw/zinc/75/92/69/1324759269.db2.gz WETGWILTMZSMCK-UTSMFGRCSA-N 0 0 332.444 2.579 10 10 EFCERN COC(=O)c1cc(OCC(=O)N(C)C2CCCCC2)ccc1N(C)C ZINC001307388929 1324765931 /nfs/dbraw/zinc/76/59/31/1324765931.db2.gz KXMGTFBBNQUDEI-UHFFFAOYSA-N 0 0 348.443 2.709 10 10 EFCERN CC(C)Oc1ccc(N(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC001307678288 1324777368 /nfs/dbraw/zinc/77/73/68/1324777368.db2.gz ITDLGWMWFNTYCJ-HNNXBMFYSA-N 0 0 334.460 2.936 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c(C(F)(F)F)c1 ZINC000902554607 1324787898 /nfs/dbraw/zinc/78/78/98/1324787898.db2.gz KREQDABCSQSWNV-GUTXKFCHSA-N 0 0 342.361 2.924 10 10 EFCERN COc1ccc(N2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)c(OC)c1 ZINC001308014339 1324789037 /nfs/dbraw/zinc/78/90/37/1324789037.db2.gz NQHLOHIBFOLTBB-INIZCTEOSA-N 0 0 334.460 2.783 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@H]1CC=CCO1 ZINC001314753621 1325042823 /nfs/dbraw/zinc/04/28/23/1325042823.db2.gz SQLXNCSUAVMASX-MRXNPFEDSA-N 0 0 340.427 2.843 10 10 EFCERN C[C@H]1C[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001321884596 1329414683 /nfs/dbraw/zinc/41/46/83/1329414683.db2.gz NHOXLHUPBITPAF-HOCLYGCPSA-N 0 0 344.455 2.826 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccsc1 ZINC001323561892 1329551721 /nfs/dbraw/zinc/55/17/21/1329551721.db2.gz OVLBLCMMGYUSRY-UHFFFAOYSA-N 0 0 346.452 2.551 10 10 EFCERN Cc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)no1 ZINC001324716991 1329653498 /nfs/dbraw/zinc/65/34/98/1329653498.db2.gz VBXGMPYDFHDCQV-UHFFFAOYSA-N 0 0 332.423 2.506 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCO[C@@](C)(C4CC4)C3)ccc21 ZINC001327663817 1330505984 /nfs/dbraw/zinc/50/59/84/1330505984.db2.gz WOOSVOTWUPBMND-HXUWFJFHSA-N 0 0 343.471 2.780 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC2CC1(C)C2 ZINC001327992783 1330539423 /nfs/dbraw/zinc/53/94/23/1330539423.db2.gz JHBFHPSJHBJGFN-UHFFFAOYSA-N 0 0 330.428 2.532 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001328741754 1330624784 /nfs/dbraw/zinc/62/47/84/1330624784.db2.gz WREJMSSXKAOKTP-UHFFFAOYSA-N 0 0 332.835 2.938 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2COc3cc(F)ccc3C2)cc1F ZINC001329211313 1330680955 /nfs/dbraw/zinc/68/09/55/1330680955.db2.gz WGPOFGYETACAJU-AWEZNQCLSA-N 0 0 346.377 2.898 10 10 EFCERN CN(C)c1ccc(CN(C(=O)C(=O)NC2CC(C)(C)C2)C2CC2)cc1 ZINC001329227072 1330683021 /nfs/dbraw/zinc/68/30/21/1330683021.db2.gz DPFKWSLKZWKDRI-UHFFFAOYSA-N 0 0 343.471 2.548 10 10 EFCERN CC(C)CN(CC(C)(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329409625 1330704275 /nfs/dbraw/zinc/70/42/75/1330704275.db2.gz BXKVAGXVDTUFME-UHFFFAOYSA-N 0 0 332.444 2.765 10 10 EFCERN Cc1ccccc1[C@@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329523544 1330715139 /nfs/dbraw/zinc/71/51/39/1330715139.db2.gz HTNGUOVBYKTMAV-CQSZACIVSA-N 0 0 338.407 2.762 10 10 EFCERN O=C(NCC[C@H]1CCCOC1)NCc1ccc(N2CCCC2)cc1 ZINC001331504607 1330845199 /nfs/dbraw/zinc/84/51/99/1330845199.db2.gz PBOGMWTWMKKVSX-QGZVFWFLSA-N 0 0 331.460 2.903 10 10 EFCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccnn2)cc1 ZINC001332146766 1330928173 /nfs/dbraw/zinc/92/81/73/1330928173.db2.gz QIIOILPLHDUAMR-UHFFFAOYSA-N 0 0 338.333 2.747 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCCC(F)F)C2)cc1 ZINC001332331226 1330959187 /nfs/dbraw/zinc/95/91/87/1330959187.db2.gz XRZIAQFCHKXXPM-LBPRGKRZSA-N 0 0 327.375 2.618 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734262 1331204124 /nfs/dbraw/zinc/20/41/24/1331204124.db2.gz LLDKTELVYMVWSD-LBPRGKRZSA-N 0 0 329.799 2.548 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC(C)(C)C2)cc1F ZINC001334055990 1331243547 /nfs/dbraw/zinc/24/35/47/1331243547.db2.gz AVYPIOMFNQUGLQ-UHFFFAOYSA-N 0 0 349.450 2.593 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCC=CCC2)cc1 ZINC001338454555 1331708837 /nfs/dbraw/zinc/70/88/37/1331708837.db2.gz WTLNKLJNDCWEJK-UHFFFAOYSA-N 0 0 343.471 2.764 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)CCOCC(C)C)CC2)cc1 ZINC001340945301 1332221930 /nfs/dbraw/zinc/22/19/30/1332221930.db2.gz KTHRZJCBCXTJKO-UHFFFAOYSA-N 0 0 334.460 2.797 10 10 EFCERN CCCc1ncc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001344076125 1332401120 /nfs/dbraw/zinc/40/11/20/1332401120.db2.gz SWYOALVSDVMWHM-UHFFFAOYSA-N 0 0 346.450 2.808 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H]2[C@H]2CCCOC2)cc1F ZINC001346266798 1332620092 /nfs/dbraw/zinc/62/00/92/1332620092.db2.gz KYQMGEGMFGJNPA-HOCLYGCPSA-N 0 0 335.423 2.602 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1 ZINC001346330485 1332626532 /nfs/dbraw/zinc/62/65/32/1332626532.db2.gz NGVOYCZVZOHZKD-AWEZNQCLSA-N 0 0 331.460 2.636 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC001346343792 1332627650 /nfs/dbraw/zinc/62/76/50/1332627650.db2.gz BQCCUQYBQRQSEP-OAHLLOKOSA-N 0 0 331.460 2.853 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2([C@@H]3CCCCO3)CCCO2)c1 ZINC001346452964 1332642960 /nfs/dbraw/zinc/64/29/60/1332642960.db2.gz ZZDXAOIAMCTXPB-IXDGSTSKSA-N 0 0 349.427 2.696 10 10 EFCERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001346560914 1332656651 /nfs/dbraw/zinc/65/66/51/1332656651.db2.gz GIYZXRVVIJBUMX-GXFFZTMASA-N 0 0 340.807 2.577 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001346689834 1332673956 /nfs/dbraw/zinc/67/39/56/1332673956.db2.gz YNRDTOXQNJPFEW-UPJWGTAASA-N 0 0 336.338 2.590 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001347470661 1332747980 /nfs/dbraw/zinc/74/79/80/1332747980.db2.gz CSBZPFIRCUBWAJ-QUCCMNQESA-N 0 0 346.471 2.796 10 10 EFCERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cccc(O)c2O)CC=CCC1 ZINC001348046043 1332795529 /nfs/dbraw/zinc/79/55/29/1332795529.db2.gz HGIKZXMMVVLEIL-LJQANCHMSA-N 0 0 347.411 2.782 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C(C)C)C1 ZINC001348209083 1332811961 /nfs/dbraw/zinc/81/19/61/1332811961.db2.gz UFNCEGPMNAZUSN-OAHLLOKOSA-N 0 0 332.444 2.635 10 10 EFCERN COc1ccc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])cc1Cn1cccn1 ZINC001348808641 1332872967 /nfs/dbraw/zinc/87/29/67/1332872967.db2.gz ZLBLJPOOWADODF-MRXNPFEDSA-N 0 0 343.427 2.531 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001349633690 1332978474 /nfs/dbraw/zinc/97/84/74/1332978474.db2.gz WGQCGSSPLPITAI-QAPCUYQASA-N 0 0 337.467 2.918 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nccc(Cl)c3F)C2)cc1 ZINC001351058053 1333173600 /nfs/dbraw/zinc/17/36/00/1333173600.db2.gz LHPYLPRADRSVKH-NSHDSACASA-N 0 0 349.793 2.891 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(CCF)c1 ZINC001351163326 1333188512 /nfs/dbraw/zinc/18/85/12/1333188512.db2.gz OTCDNZFLJDYCCK-UHFFFAOYSA-N 0 0 330.407 2.725 10 10 EFCERN COC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1C ZINC001351266227 1333204059 /nfs/dbraw/zinc/20/40/59/1333204059.db2.gz RHXHGGORPNQTDT-UHFFFAOYSA-N 0 0 326.396 2.778 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC001351520678 1333244514 /nfs/dbraw/zinc/24/45/14/1333244514.db2.gz FCJJGTVFJRFLFI-CQSZACIVSA-N 0 0 339.395 2.626 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccnc(NC)c1 ZINC001351800809 1333288925 /nfs/dbraw/zinc/28/89/25/1333288925.db2.gz XFMYYBAWJRMHJT-UHFFFAOYSA-N 0 0 341.459 2.921 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2ccn(C(C)(C)C)n2)cc1 ZINC000847108105 1333326891 /nfs/dbraw/zinc/32/68/91/1333326891.db2.gz XKCWJSUJCMMSHK-UHFFFAOYSA-N 0 0 344.459 2.855 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000847249324 1333443245 /nfs/dbraw/zinc/44/32/45/1333443245.db2.gz FWSSFUQXGJSRKC-WCQYABFASA-N 0 0 332.322 2.691 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000847249323 1333443275 /nfs/dbraw/zinc/44/32/75/1333443275.db2.gz FWSSFUQXGJSRKC-DGCLKSJQSA-N 0 0 332.322 2.691 10 10 EFCERN CC1=C(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C(=O)OC1(C)C ZINC001352615532 1333632310 /nfs/dbraw/zinc/63/23/10/1333632310.db2.gz PJQLWNRQKZXTRR-UHFFFAOYSA-N 0 0 342.439 2.897 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)cnc1F ZINC000847399023 1333660228 /nfs/dbraw/zinc/66/02/28/1333660228.db2.gz NIGHOIUDCVEERA-UHFFFAOYSA-N 0 0 331.391 2.958 10 10 EFCERN O=C(NCc1cccc(O)c1O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001352670343 1333661595 /nfs/dbraw/zinc/66/15/95/1333661595.db2.gz OAULXSNKALHDGB-APHBMKBZSA-N 0 0 329.783 2.953 10 10 EFCERN COc1cccc(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)c1O ZINC000847449848 1333734469 /nfs/dbraw/zinc/73/44/69/1333734469.db2.gz YEUIZIPNSFEOPI-AWEZNQCLSA-N 0 0 334.416 2.692 10 10 EFCERN Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC001300347072 1334107454 /nfs/dbraw/zinc/10/74/54/1334107454.db2.gz NQUMVNLSUBNWLK-NEPJUHHUSA-N 0 0 335.400 2.646 10 10 EFCERN CO[C@@](C)(CO)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000848263125 1334536444 /nfs/dbraw/zinc/53/64/44/1334536444.db2.gz PLMSSRNNPXPEDV-LJQANCHMSA-N 0 0 330.428 2.530 10 10 EFCERN Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c(O)c1O ZINC000848347943 1334680130 /nfs/dbraw/zinc/68/01/30/1334680130.db2.gz VILIOEBLGKPBMC-GXSJLCMTSA-N 0 0 333.306 2.636 10 10 EFCERN O=C(/C=C\[C@@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355287681 1334730838 /nfs/dbraw/zinc/73/08/38/1334730838.db2.gz LFOBXOWBAXCTJD-WBTMPAOCSA-N 0 0 334.379 2.928 10 10 EFCERN Oc1cc2c(cc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F)OCO2 ZINC000848573536 1334802048 /nfs/dbraw/zinc/80/20/48/1334802048.db2.gz IERASBTZJKCJRZ-QMTHXVAHSA-N 0 0 333.306 2.711 10 10 EFCERN Oc1cc2c(cc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F)OCO2 ZINC000848573535 1334802065 /nfs/dbraw/zinc/80/20/65/1334802065.db2.gz IERASBTZJKCJRZ-IINYFYTJSA-N 0 0 333.306 2.711 10 10 EFCERN C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000848604644 1334810997 /nfs/dbraw/zinc/81/09/97/1334810997.db2.gz ZDSJBVGDNQDAKM-SNVBAGLBSA-N 0 0 325.359 2.538 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2c(OC)ccnc2OC)cc1 ZINC001355922425 1334908069 /nfs/dbraw/zinc/90/80/69/1334908069.db2.gz AOFVGQPAIOFRMY-UHFFFAOYSA-N 0 0 343.427 2.875 10 10 EFCERN CCc1cccc(CNc2cnn(CC(=O)NC3CCCC3)c2)c1O ZINC000848901018 1334972973 /nfs/dbraw/zinc/97/29/73/1334972973.db2.gz SWVUABCDTYOMDW-UHFFFAOYSA-N 0 0 342.443 2.822 10 10 EFCERN CCc1cccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1O ZINC000848919710 1334985842 /nfs/dbraw/zinc/98/58/42/1334985842.db2.gz QPQNQRYIRSXFBQ-MRXNPFEDSA-N 0 0 345.443 2.861 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000848922229 1334988073 /nfs/dbraw/zinc/98/80/73/1334988073.db2.gz NSGGKQCOCUZSLF-CABCVRRESA-N 0 0 336.388 2.746 10 10 EFCERN COc1cc(O)c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1OC ZINC000848927599 1334991611 /nfs/dbraw/zinc/99/16/11/1334991611.db2.gz IQOYNIQCCUGNMP-NHYWBVRUSA-N 0 0 349.349 2.999 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2c3c(ccc2F)OCO3)cc1F ZINC001356250934 1335001601 /nfs/dbraw/zinc/00/16/01/1335001601.db2.gz ONEZOZHBCCJUBU-UHFFFAOYSA-N 0 0 334.322 2.690 10 10 EFCERN COc1cccnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356268279 1335005822 /nfs/dbraw/zinc/00/58/22/1335005822.db2.gz WCHLXVXLMRHJGD-UHFFFAOYSA-N 0 0 325.412 2.963 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C2OCCO2)cc1 ZINC000935945686 1335464647 /nfs/dbraw/zinc/46/46/47/1335464647.db2.gz GXUJVRKQWPIWPJ-UHFFFAOYSA-N 0 0 348.395 2.853 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Cl)nc(NC)c1 ZINC000935946375 1335464725 /nfs/dbraw/zinc/46/47/25/1335464725.db2.gz FMFQRZSJHOBLRN-UHFFFAOYSA-N 0 0 340.807 2.898 10 10 EFCERN COc1cccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)c1 ZINC000849352135 1335596822 /nfs/dbraw/zinc/59/68/22/1335596822.db2.gz JCQHMQIXKNRXJU-KRWDZBQOSA-N 0 0 339.395 2.554 10 10 EFCERN COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CC(C)(C)C)C3=O)C2)cc1 ZINC000849356582 1335597671 /nfs/dbraw/zinc/59/76/71/1335597671.db2.gz FMHQUPZIEULURN-HOCLYGCPSA-N 0 0 345.443 2.631 10 10 EFCERN COc1ccc(N2CC[C@H](NS(=O)(=O)CCC(C)(C)C)C2)cc1 ZINC000849416148 1335610816 /nfs/dbraw/zinc/61/08/16/1335610816.db2.gz KYLVHPIIRAUOJO-AWEZNQCLSA-N 0 0 340.489 2.630 10 10 EFCERN CCC[C@@H](C)CS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416227 1335610889 /nfs/dbraw/zinc/61/08/89/1335610889.db2.gz MREGAOBMOZGNQI-HUUCEWRRSA-N 0 0 340.489 2.630 10 10 EFCERN Cc1nnc(N2C[C@@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001361095783 1335954936 /nfs/dbraw/zinc/95/49/36/1335954936.db2.gz OXIKUMZNWYMZFD-WMZOPIPTSA-N 0 0 325.460 2.998 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(C)cc2F)c1 ZINC001436739816 1387287504 /nfs/dbraw/zinc/28/75/04/1387287504.db2.gz JSAXWXHUBLOJDL-ALCCZGGFSA-N 0 0 327.359 2.565 10 10 EFCERN Cc1nncn1-c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001545850727 1386367713 /nfs/dbraw/zinc/36/77/13/1386367713.db2.gz PIKWELQRIPVJQR-UHFFFAOYSA-N 0 0 349.354 2.990 10 10 EFCERN COCc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001441276696 1391227369 /nfs/dbraw/zinc/22/73/69/1391227369.db2.gz ISHNETYJHQFAFQ-UHFFFAOYSA-N 0 0 326.356 2.925 10 10 EFCERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001444908079 1391514645 /nfs/dbraw/zinc/51/46/45/1391514645.db2.gz PDUXVXCJZXPCMZ-NSHDSACASA-N 0 0 330.340 2.734 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001446807280 1391609261 /nfs/dbraw/zinc/60/92/61/1391609261.db2.gz SUYYDKUNWRAJDA-XKQJLSEDSA-N 0 0 338.407 2.603 10 10 EFCERN Cc1cccc2c1OC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001450745987 1392729025 /nfs/dbraw/zinc/72/90/25/1392729025.db2.gz NUVBVSOPQGEEMC-OAHLLOKOSA-N 0 0 338.367 2.891 10 10 EFCERN C[C@@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccccc1O ZINC001454802809 1394244428 /nfs/dbraw/zinc/24/44/28/1394244428.db2.gz DNZCYXYRBPINIM-LLVKDONJSA-N 0 0 344.342 2.979 10 10 EFCERN COC(=O)C[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001455098018 1394552069 /nfs/dbraw/zinc/55/20/69/1394552069.db2.gz FGAZUURFHSHXQM-CYBMUJFWSA-N 0 0 328.412 2.704 10 10 EFCERN CCC(CC)(C(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C ZINC001455351359 1394592619 /nfs/dbraw/zinc/59/26/19/1394592619.db2.gz FPYSFEGCNXVAHH-UHFFFAOYSA-N 0 0 337.416 2.862 10 10 EFCERN CN(C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001455357099 1394593533 /nfs/dbraw/zinc/59/35/33/1394593533.db2.gz NLMBITRNWVMQLR-MRXNPFEDSA-N 0 0 334.803 2.670 10 10 EFCERN COc1cccc(C[C@H](C)CC(=O)NCc2c(O)cccc2O)c1 ZINC001456316036 1394666064 /nfs/dbraw/zinc/66/60/64/1394666064.db2.gz MPSZJPRVTFXJKC-ZDUSSCGKSA-N 0 0 329.396 2.992 10 10 EFCERN O=C(COCCOc1ccccc1)NCc1cccc(Cl)c1O ZINC001457035649 1394933880 /nfs/dbraw/zinc/93/38/80/1394933880.db2.gz CXCOQMKLHZKOSA-UHFFFAOYSA-N 0 0 335.787 2.757 10 10 EFCERN O=C(NCc1cccc(OC2CC2)c1F)c1c(F)ccc(O)c1O ZINC001457921515 1395385918 /nfs/dbraw/zinc/38/59/18/1395385918.db2.gz BQHVWCIVCQCDDX-UHFFFAOYSA-N 0 0 335.306 2.847 10 10 EFCERN O=c1[nH]c2nc(Cl)nc(NCc3c(O)ccc4c3CCCC4)c2[nH]1 ZINC001458202362 1395424539 /nfs/dbraw/zinc/42/45/39/1395424539.db2.gz AZFJNNNYOAJBEC-UHFFFAOYSA-N 0 0 345.790 2.908 10 10 EFCERN COC(=O)c1cc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)ccc1N(C)C ZINC001459244621 1395769612 /nfs/dbraw/zinc/76/96/12/1395769612.db2.gz YAYRSAULFHBFCI-OKILXGFUSA-N 0 0 348.443 2.708 10 10 EFCERN O=C(Cn1ccc(C(F)F)n1)Nc1c2nonc2ccc1Cl ZINC001459789793 1395983460 /nfs/dbraw/zinc/98/34/60/1395983460.db2.gz SXSGDJKAKMUMJI-UHFFFAOYSA-N 0 0 327.678 2.649 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)c1cc(C(F)F)ncn1 ZINC001459788313 1395983713 /nfs/dbraw/zinc/98/37/13/1395983713.db2.gz MSHPMSXJMDHQHO-UHFFFAOYSA-N 0 0 325.662 2.856 10 10 EFCERN CCOC(=O)COCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460282555 1396019393 /nfs/dbraw/zinc/01/93/93/1396019393.db2.gz FXDLQOKDPWHOLR-MRXNPFEDSA-N 0 0 335.444 2.910 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]c2=O)cc1 ZINC001463721005 1396515743 /nfs/dbraw/zinc/51/57/43/1396515743.db2.gz CDBDBZHCWKVPJN-UHFFFAOYSA-N 0 0 339.370 2.663 10 10 EFCERN COc1c(F)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(N)c1F ZINC001463753534 1396518147 /nfs/dbraw/zinc/51/81/47/1396518147.db2.gz UACWZLQPNIZKAL-UHFFFAOYSA-N 0 0 349.381 2.894 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc2ncn(C)c21 ZINC001463809001 1396522786 /nfs/dbraw/zinc/52/27/86/1396522786.db2.gz PNYBYWIRWIQKTJ-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC001464215183 1396557047 /nfs/dbraw/zinc/55/70/47/1396557047.db2.gz SWPQIFYNLIADPV-GFCCVEGCSA-N 0 0 342.395 2.556 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC001464471912 1396579471 /nfs/dbraw/zinc/57/94/71/1396579471.db2.gz YCCKAQBYGYRWLD-UZLBHIALSA-N 0 0 341.407 2.924 10 10 EFCERN CCOC(=O)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001464517382 1396582685 /nfs/dbraw/zinc/58/26/85/1396582685.db2.gz BWOBYXCEPZTTTN-QGZVFWFLSA-N 0 0 332.444 2.521 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCn2cnc3ccccc32)cc1 ZINC001464529131 1396584288 /nfs/dbraw/zinc/58/42/88/1396584288.db2.gz IEHKHAUOCFJZOX-UHFFFAOYSA-N 0 0 336.355 2.629 10 10 EFCERN COc1ccccc1C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001464595215 1396588270 /nfs/dbraw/zinc/58/82/70/1396588270.db2.gz GFXCHGBBWVAYAY-UHFFFAOYSA-N 0 0 329.396 2.743 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ccccc2)c1N ZINC001465035074 1396643728 /nfs/dbraw/zinc/64/37/28/1396643728.db2.gz ZNNPGIUZOWVLHL-UHFFFAOYSA-N 0 0 349.438 2.759 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465419205 1396679722 /nfs/dbraw/zinc/67/97/22/1396679722.db2.gz ZUFLPTBNHIDCHD-JTQLQIEISA-N 0 0 342.403 2.560 10 10 EFCERN CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]2CCCO[C@H]21 ZINC001465534394 1396688497 /nfs/dbraw/zinc/68/84/97/1396688497.db2.gz LMSQRUUBVPGMFQ-MGPQQGTHSA-N 0 0 330.388 2.782 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1 ZINC001465682659 1396701967 /nfs/dbraw/zinc/70/19/67/1396701967.db2.gz MWSIIVATCNDIGT-UHFFFAOYSA-N 0 0 348.309 2.936 10 10 EFCERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465712345 1396704993 /nfs/dbraw/zinc/70/49/93/1396704993.db2.gz HOJVXKLOOQWEBX-MCFWBGNESA-N 0 0 347.436 2.597 10 10 EFCERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Cc1ccc(O)c(O)c1 ZINC001465774179 1396710452 /nfs/dbraw/zinc/71/04/52/1396710452.db2.gz LGWXXJBMQGOMDO-UHFFFAOYSA-N 0 0 337.379 2.689 10 10 EFCERN C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465986926 1396728300 /nfs/dbraw/zinc/72/83/00/1396728300.db2.gz VLHSREGORHFMOH-LLVKDONJSA-N 0 0 326.356 2.916 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cn3cc(F)ccc3n2)c1 ZINC001465992105 1396729154 /nfs/dbraw/zinc/72/91/54/1396729154.db2.gz HTVGUHYVLXDENF-LLVKDONJSA-N 0 0 343.358 2.608 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(F)c1 ZINC001466021332 1396731990 /nfs/dbraw/zinc/73/19/90/1396731990.db2.gz KPKOVZZXOGVVAZ-UHFFFAOYSA-N 0 0 330.319 2.927 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001466311758 1396747279 /nfs/dbraw/zinc/74/72/79/1396747279.db2.gz HYEUGFXOGBSCAJ-CYBMUJFWSA-N 0 0 347.798 2.974 10 10 EFCERN CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)C(=O)OCC ZINC001467579311 1396873814 /nfs/dbraw/zinc/87/38/14/1396873814.db2.gz VHXNCQNWIJXWNB-NSHDSACASA-N 0 0 334.376 2.653 10 10 EFCERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001467769338 1396894764 /nfs/dbraw/zinc/89/47/64/1396894764.db2.gz AGAOUSPNAXUFAR-VHSXEESVSA-N 0 0 343.391 2.972 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ncc(-c2ccccn2)s1 ZINC001467916251 1396908926 /nfs/dbraw/zinc/90/89/26/1396908926.db2.gz YROIFPNBGXRRMF-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001469151349 1397005460 /nfs/dbraw/zinc/00/54/60/1397005460.db2.gz GKQBHPXSZYZCET-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ncoc1CCC(F)(F)F ZINC001469159750 1397006264 /nfs/dbraw/zinc/00/62/64/1397006264.db2.gz MTYXJRSTUIJINX-UHFFFAOYSA-N 0 0 330.262 2.511 10 10 EFCERN O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccc(O)cc1O ZINC001469158588 1397006367 /nfs/dbraw/zinc/00/63/67/1397006367.db2.gz CMAUPNRCGDDZKB-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)cc1O ZINC001469160361 1397006897 /nfs/dbraw/zinc/00/68/97/1397006897.db2.gz RDOKDTRJYSSXAP-JTQLQIEISA-N 0 0 348.380 2.803 10 10 EFCERN CN(CC(=O)NCc1ccc2cccnc2c1O)Cc1ccccc1 ZINC001469248486 1397015562 /nfs/dbraw/zinc/01/55/62/1397015562.db2.gz INHWTNLXEXRXET-UHFFFAOYSA-N 0 0 335.407 2.689 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H](O)CCc1ccccc1 ZINC001469250654 1397015767 /nfs/dbraw/zinc/01/57/67/1397015767.db2.gz SQKSNJDRJGWVGU-QGZVFWFLSA-N 0 0 336.391 2.550 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)c1 ZINC001470255383 1397081813 /nfs/dbraw/zinc/08/18/13/1397081813.db2.gz VCBDAMYJUOTORQ-UHFFFAOYSA-N 0 0 331.372 2.935 10 10 EFCERN Cc1cc(CNC(=O)c2coc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC001471016589 1397133810 /nfs/dbraw/zinc/13/38/10/1397133810.db2.gz BVZHHRBYXGKPRI-UHFFFAOYSA-N 0 0 337.379 2.716 10 10 EFCERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001471194287 1397149634 /nfs/dbraw/zinc/14/96/34/1397149634.db2.gz HRBLMHHRZLJUEX-LBPRGKRZSA-N 0 0 333.409 2.677 10 10 EFCERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(O)ccc1O ZINC001471661089 1397194578 /nfs/dbraw/zinc/19/45/78/1397194578.db2.gz HJJZDZGMVANSGO-ZDUSSCGKSA-N 0 0 344.367 2.891 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001471661723 1397194584 /nfs/dbraw/zinc/19/45/84/1397194584.db2.gz ZWSVYFQVBRQEDU-BZNIZROVSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc([C@@H]2CCCOC2)cc1 ZINC001471660853 1397194642 /nfs/dbraw/zinc/19/46/42/1397194642.db2.gz BQQMNDAAAXZFQH-OAHLLOKOSA-N 0 0 327.380 2.922 10 10 EFCERN Nc1c(C(=O)NCc2cc(O)ccc2O)ccnc1-c1ccccc1 ZINC001471661185 1397194898 /nfs/dbraw/zinc/19/48/98/1397194898.db2.gz JGLFOJRQVYOUDZ-UHFFFAOYSA-N 0 0 335.363 2.672 10 10 EFCERN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1cc(O)ccc1O ZINC001471661395 1397195130 /nfs/dbraw/zinc/19/51/30/1397195130.db2.gz QSMMYSITJWLTEI-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001471661751 1397195232 /nfs/dbraw/zinc/19/52/32/1397195232.db2.gz AKKUWUFMGDUUDT-GFCCVEGCSA-N 0 0 346.814 2.894 10 10 EFCERN CC[C@H](C)c1nc(C)c(CC(=O)NCc2cc(O)ccc2O)c(C)n1 ZINC001471661963 1397195343 /nfs/dbraw/zinc/19/53/43/1397195343.db2.gz ISAZXUHOYPRUIH-NSHDSACASA-N 0 0 343.427 2.877 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001471660855 1397195371 /nfs/dbraw/zinc/19/53/71/1397195371.db2.gz BSCAAYRLYJRWEF-UHFFFAOYSA-N 0 0 347.802 2.676 10 10 EFCERN O=C(CCc1nc(-c2cccs2)no1)NCc1c(O)cccc1F ZINC001471974564 1397229491 /nfs/dbraw/zinc/22/94/91/1397229491.db2.gz FMVRTLFXMTVIFM-UHFFFAOYSA-N 0 0 347.371 2.892 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnn(-c2ccccc2F)c1 ZINC001471974811 1397229616 /nfs/dbraw/zinc/22/96/16/1397229616.db2.gz LBOXKVRJRAPWMO-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](c2cnccn2)C1 ZINC001472053675 1397240408 /nfs/dbraw/zinc/24/04/08/1397240408.db2.gz MEBFSOFKPGBZAO-SNVBAGLBSA-N 0 0 341.392 2.732 10 10 EFCERN COc1ccc(C2(C(=O)NCc3c(O)cccc3O)CCC2)cc1 ZINC001472063044 1397242119 /nfs/dbraw/zinc/24/21/19/1397242119.db2.gz DJUWIBNZEQDNJO-UHFFFAOYSA-N 0 0 327.380 2.845 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC2CCOCC2)cc1 ZINC001472063029 1397242454 /nfs/dbraw/zinc/24/24/54/1397242454.db2.gz CKVGRVRBAWLIFF-UHFFFAOYSA-N 0 0 343.379 2.586 10 10 EFCERN COC(C)(C)c1nc(C)c(C(=O)NCc2c(O)cccc2O)s1 ZINC001472063206 1397242526 /nfs/dbraw/zinc/24/25/26/1397242526.db2.gz FISVQEPYCCQBFS-UHFFFAOYSA-N 0 0 336.413 2.674 10 10 EFCERN CCO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC001472085265 1397245270 /nfs/dbraw/zinc/24/52/70/1397245270.db2.gz OACSQIZGIAYEMG-KBXCAEBGSA-N 0 0 329.396 2.603 10 10 EFCERN O=C(NCCN1CCCc2cc(OC(F)(F)F)ccc21)C1CC1 ZINC001473236254 1397291476 /nfs/dbraw/zinc/29/14/76/1397291476.db2.gz GPWAFBMNHAZIGF-UHFFFAOYSA-N 0 0 328.334 2.864 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001478359442 1397576932 /nfs/dbraw/zinc/57/69/32/1397576932.db2.gz XBDRNBZVRKYEGK-UHFFFAOYSA-N 0 0 329.356 2.651 10 10 EFCERN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C1CC1 ZINC001498657488 1402231641 /nfs/dbraw/zinc/23/16/41/1402231641.db2.gz AMWGLZQDCSQZSU-UHFFFAOYSA-N 0 0 341.459 2.648 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)NC(=O)C(C)(C)C ZINC001508589058 1407547736 /nfs/dbraw/zinc/54/77/36/1407547736.db2.gz YZMKEKFBXSAIOD-QWRGUYRKSA-N 0 0 347.419 2.518 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCC[C@@H]1C ZINC001513796709 1413646548 /nfs/dbraw/zinc/64/65/48/1413646548.db2.gz JRGPAFZWASYMMM-IFXJQAMLSA-N 0 0 344.459 2.734 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1c(C)noc1C ZINC001513793736 1413646558 /nfs/dbraw/zinc/64/65/58/1413646558.db2.gz IIJBAHRXEWLYQV-UHFFFAOYSA-N 0 0 341.415 2.836 10 10 EFCERN CCc1nnc(N(C)CCCOC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001513812045 1413649354 /nfs/dbraw/zinc/64/93/54/1413649354.db2.gz KIHVYDSXETUXPT-UHFFFAOYSA-N 0 0 349.454 2.567 10 10 EFCERN CON(C)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001555768861 1415044021 /nfs/dbraw/zinc/04/40/21/1415044021.db2.gz RJPWLLSFTOKAMX-UHFFFAOYSA-N 0 0 331.464 2.897 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC001556158162 1415056382 /nfs/dbraw/zinc/05/63/82/1415056382.db2.gz TWSCDBBNRCDVJI-XOVSCCBYSA-N 0 0 325.364 2.671 10 10 EFCERN Cc1ccc2n[nH]cc2c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001556157886 1415056414 /nfs/dbraw/zinc/05/64/14/1415056414.db2.gz MBPXXNKYICAGBE-LLVKDONJSA-N 0 0 325.368 2.644 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001556354863 1415065327 /nfs/dbraw/zinc/06/53/27/1415065327.db2.gz XBWXQZTWYBBKJA-HZPDHXFCSA-N 0 0 342.351 2.729 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1COc1ccccc1 ZINC001556705106 1415083662 /nfs/dbraw/zinc/08/36/62/1415083662.db2.gz JEIIEEUAXKWKHQ-HNNXBMFYSA-N 0 0 327.380 2.710 10 10 EFCERN Cc1nc(Br)sc1C(=O)NCc1ccc(O)cc1O ZINC001557085593 1415104405 /nfs/dbraw/zinc/10/44/05/1415104405.db2.gz QIWMKHHOKKOFKP-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN COc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1OC ZINC001557121712 1415106455 /nfs/dbraw/zinc/10/64/55/1415106455.db2.gz MZGVINXETBSMKR-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN COc1cc(C(=O)NCc2cc(C)ccc2O)c([N+](=O)[O-])cc1F ZINC001557552122 1415131206 /nfs/dbraw/zinc/13/12/06/1415131206.db2.gz DNWSQEYWCVGDTH-UHFFFAOYSA-N 0 0 334.303 2.687 10 10 EFCERN C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1ccccc1O ZINC001557969396 1415153087 /nfs/dbraw/zinc/15/30/87/1415153087.db2.gz ULTGTDWCASHCJJ-HZMBPMFUSA-N 0 0 328.343 2.835 10 10 EFCERN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc21 ZINC001557969186 1415153279 /nfs/dbraw/zinc/15/32/79/1415153279.db2.gz RPTNJRBVBWBLBQ-NSHDSACASA-N 0 0 325.368 2.958 10 10 EFCERN COc1ccc(C[C@@H](C)C(=O)NCc2cc(O)ccc2O)cc1OC ZINC001558175177 1415163722 /nfs/dbraw/zinc/16/37/22/1415163722.db2.gz GYTFOUQZPPRGGT-GFCCVEGCSA-N 0 0 345.395 2.610 10 10 EFCERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1cc(O)ccc1O ZINC001558174352 1415163852 /nfs/dbraw/zinc/16/38/52/1415163852.db2.gz KETBTEMKAKXBGB-SECBINFHSA-N 0 0 339.750 2.974 10 10 EFCERN COC(=O)c1c(C)c(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001558210853 1415166192 /nfs/dbraw/zinc/16/61/92/1415166192.db2.gz VKDLMNBDEKNYAY-UHFFFAOYSA-N 0 0 329.352 2.682 10 10 EFCERN Cc1oc(-c2ccco2)nc1CC(=O)NCc1c(O)cccc1F ZINC001558455758 1415180680 /nfs/dbraw/zinc/18/06/80/1415180680.db2.gz XVTMIQVVZCTAHC-UHFFFAOYSA-N 0 0 330.315 2.947 10 10 EFCERN Cc1cc(CC(=O)N(C)CCc2ncon2)c(C)n1-c1ccccc1 ZINC001558521484 1415184901 /nfs/dbraw/zinc/18/49/01/1415184901.db2.gz KNKAPTTZZJUVSF-UHFFFAOYSA-N 0 0 338.411 2.721 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ncsc1Nc1cccnc1 ZINC001558535817 1415187248 /nfs/dbraw/zinc/18/72/48/1415187248.db2.gz PKTHQUNLBHDUKM-UHFFFAOYSA-N 0 0 342.380 2.623 10 10 EFCERN Cn1cc(C(=O)CCC(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001558553932 1415188580 /nfs/dbraw/zinc/18/85/80/1415188580.db2.gz GSCJIYAJLLNUEV-UHFFFAOYSA-N 0 0 337.379 2.558 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cn(Cc2cccs2)nn1 ZINC001558756912 1415199835 /nfs/dbraw/zinc/19/98/35/1415199835.db2.gz HOYBTAVWXVJNGS-UHFFFAOYSA-N 0 0 348.815 2.677 10 10 EFCERN C[C@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001559574800 1415250042 /nfs/dbraw/zinc/25/00/42/1415250042.db2.gz LHJXQWDYZMNEAJ-INIZCTEOSA-N 0 0 337.467 2.816 10 10 EFCERN COC[C@@H](CN(CC(=O)OC)Cc1cc(Cl)ccc1O)C(C)C ZINC001559607779 1415251268 /nfs/dbraw/zinc/25/12/68/1415251268.db2.gz XHGBCFVQUAXEFB-CQSZACIVSA-N 0 0 343.851 2.939 10 10 EFCERN COc1ccc(N(CC(=O)NC(=O)NC2CCCC2)CC2CC2)cc1 ZINC001559847919 1415256624 /nfs/dbraw/zinc/25/66/24/1415256624.db2.gz DZFQWMWUXDBEJZ-UHFFFAOYSA-N 0 0 345.443 2.680 10 10 EFCERN CCN(C)c1ccc(CN2CCN(c3nnc(C)s3)CC2)cc1 ZINC001560157146 1415266542 /nfs/dbraw/zinc/26/65/42/1415266542.db2.gz OTDLRJIERWCPMI-UHFFFAOYSA-N 0 0 331.489 2.625 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1-c1ccccn1 ZINC001566007902 1415481629 /nfs/dbraw/zinc/48/16/29/1415481629.db2.gz LXEMDPNGEJHWCL-UHFFFAOYSA-N 0 0 349.394 2.577 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOCc2ccccc2)cc1 ZINC001566182791 1415533589 /nfs/dbraw/zinc/53/35/89/1415533589.db2.gz BZHSNIALEXCBKH-UHFFFAOYSA-N 0 0 326.356 2.796 10 10 EFCERN O=C(Nc1ccc2n[nH]nc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001566217416 1415535972 /nfs/dbraw/zinc/53/59/72/1415535972.db2.gz YCBJZRDQKAOOJZ-UHFFFAOYSA-N 0 0 326.337 2.836 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC001566252564 1415536747 /nfs/dbraw/zinc/53/67/47/1415536747.db2.gz QUHAVXAPIKBUKF-CQSZACIVSA-N 0 0 328.328 2.656 10 10 EFCERN O=C(C[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001566257860 1415537421 /nfs/dbraw/zinc/53/74/21/1415537421.db2.gz JOWZPBXWWHVHET-MRXNPFEDSA-N 0 0 339.391 2.904 10 10 EFCERN O=C(NC[C@H](O)c1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001566337373 1415541842 /nfs/dbraw/zinc/54/18/42/1415541842.db2.gz TWBHDPUHEPIVGG-AWEZNQCLSA-N 0 0 347.367 2.915 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1coc(-c2c(F)cccc2F)n1 ZINC001566359029 1415543065 /nfs/dbraw/zinc/54/30/65/1415543065.db2.gz SMRGTDTWFXSXQV-UHFFFAOYSA-N 0 0 346.289 2.961 10 10 EFCERN Cc1ccc(F)c2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)cc21 ZINC001566370179 1415543518 /nfs/dbraw/zinc/54/35/18/1415543518.db2.gz PJMSETBABUKORR-UHFFFAOYSA-N 0 0 328.343 2.999 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2nn(C)c3ccccc23)c1 ZINC001566374266 1415544225 /nfs/dbraw/zinc/54/42/25/1415544225.db2.gz BBXHQIHRXRTLPS-NSHDSACASA-N 0 0 325.368 2.779 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC001566563030 1415646124 /nfs/dbraw/zinc/64/61/24/1415646124.db2.gz TUZUPLHYXZWIRB-ZYSHUDEJSA-N 0 0 344.455 2.549 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)Cc1ccccc1 ZINC001566618654 1415699679 /nfs/dbraw/zinc/69/96/79/1415699679.db2.gz OZKJEBHPUQPWKK-MLGOLLRUSA-N 0 0 340.383 2.571 10 10 EFCERN Cc1cc(C(=O)N[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC001567037534 1415909999 /nfs/dbraw/zinc/90/99/99/1415909999.db2.gz SMSCPEALRVRNMM-WMZOPIPTSA-N 0 0 342.439 2.530 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC001567226566 1416002684 /nfs/dbraw/zinc/00/26/84/1416002684.db2.gz IXQSUTBQYQFIBY-MJBXVCDLSA-N 0 0 328.372 2.536 10 10 EFCERN COc1ccccc1C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001568385050 1416505743 /nfs/dbraw/zinc/50/57/43/1416505743.db2.gz WLYAABPKWJAWQD-FROQITRMSA-N 0 0 327.380 2.867 10 10 EFCERN Cc1cc(CC(=O)N2CCn3nccc3C2)c(C)n1-c1ccccc1 ZINC001646022145 1416601636 /nfs/dbraw/zinc/60/16/36/1416601636.db2.gz VAAIPOXAZVDYLY-UHFFFAOYSA-N 0 0 334.423 2.876 10 10 EFCERN COC(=O)CCc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001646034565 1416603978 /nfs/dbraw/zinc/60/39/78/1416603978.db2.gz MYWCSZVXBWBTFZ-UHFFFAOYSA-N 0 0 331.343 2.567 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccnn1CCc1ccccc1 ZINC001646035223 1416604583 /nfs/dbraw/zinc/60/45/83/1416604583.db2.gz SJQWPAJGQSDIAM-UHFFFAOYSA-N 0 0 339.370 2.901 10 10 EFCERN C[C@@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001683169839 1416678603 /nfs/dbraw/zinc/67/86/03/1416678603.db2.gz VLTLTHOYDWJYOF-QAPCUYQASA-N 0 0 331.460 2.996 10 10 EFCERN Cc1cc(CNC(=O)N[C@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC001684478579 1416721855 /nfs/dbraw/zinc/72/18/55/1416721855.db2.gz BVXBDUWADNYYLQ-CQSZACIVSA-N 0 0 329.444 2.973 10 10 EFCERN O=C(NCc1ccc2oc(=O)[nH]c2c1)NCc1cc(Cl)ccc1O ZINC001685023552 1416739937 /nfs/dbraw/zinc/73/99/37/1416739937.db2.gz SSZVLZXWLNVSOX-UHFFFAOYSA-N 0 0 347.758 2.892 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1)Cc1ccc(OC)cc1O ZINC000126443356 1417211843 /nfs/dbraw/zinc/21/18/43/1417211843.db2.gz OHQJNMZZMPNQQF-UHFFFAOYSA-N 0 0 329.396 2.966 10 10 EFCERN C[C@@H]1CCO[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001712835557 1418279442 /nfs/dbraw/zinc/27/94/42/1418279442.db2.gz GRWVTLVESRHRME-CXAGYDPISA-N 0 0 342.443 2.923 10 10 EFCERN CC[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001720907163 1423293089 /nfs/dbraw/zinc/29/30/89/1423293089.db2.gz UWTVPHIEELWZRK-NWDGAFQWSA-N 0 0 347.419 2.520 10 10 EFCERN CC[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001727276295 1426298786 /nfs/dbraw/zinc/29/87/86/1426298786.db2.gz QACDPJVQYOYTTC-INIZCTEOSA-N 0 0 344.459 2.998 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H](O)C1 ZINC001727508106 1426301263 /nfs/dbraw/zinc/30/12/63/1426301263.db2.gz AISKUWVDLORSRK-GOEBONIOSA-N 0 0 344.459 2.734 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001727508105 1426301595 /nfs/dbraw/zinc/30/15/95/1426301595.db2.gz AISKUWVDLORSRK-GDBMZVCRSA-N 0 0 344.459 2.734 10 10 EFCERN CO[C@@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001729833776 1426328207 /nfs/dbraw/zinc/32/82/07/1426328207.db2.gz KPPGYYGUXKHDLI-ZDUSSCGKSA-N 0 0 330.432 2.923 10 10 EFCERN COCCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001730676760 1426333510 /nfs/dbraw/zinc/33/35/10/1426333510.db2.gz OYWXUBLTURHKED-UHFFFAOYSA-N 0 0 330.432 2.924 10 10 EFCERN Cc1nc(C)c(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804737320 713456031 /nfs/dbraw/zinc/45/60/31/713456031.db2.gz HGJHZEKPQTZXSG-UHFFFAOYSA-N 0 0 325.162 2.690 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000804707895 713439936 /nfs/dbraw/zinc/43/99/36/713439936.db2.gz IGDQNXQFDAJKDJ-VIHMKRCTSA-N 0 0 348.399 2.912 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000804716182 713449276 /nfs/dbraw/zinc/44/92/76/713449276.db2.gz FJISJJVNFLHNPA-WLPBJKJWSA-N 0 0 346.383 2.788 10 10 EFCERN C[C@@]1(C(=O)NCc2cc(Br)ccc2O)CCCOC1 ZINC000804735809 713455473 /nfs/dbraw/zinc/45/54/73/713455473.db2.gz FVWSQTWSNJJGFP-CQSZACIVSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cnn2ccccc12 ZINC000804734356 713455628 /nfs/dbraw/zinc/45/56/28/713455628.db2.gz IUDVSDFDSJOJOR-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(CCc1ccccn1)NCc1cc(Br)ccc1O ZINC000804734334 713455689 /nfs/dbraw/zinc/45/56/89/713455689.db2.gz IJJBNXXXEUIOTO-UHFFFAOYSA-N 0 0 335.201 2.799 10 10 EFCERN O=C(CCc1ccncc1)NCc1cc(Br)ccc1O ZINC000804736370 713455854 /nfs/dbraw/zinc/45/58/54/713455854.db2.gz QQCWAOZOHYSMLD-UHFFFAOYSA-N 0 0 335.201 2.799 10 10 EFCERN CCCCO[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735118 713455856 /nfs/dbraw/zinc/45/58/56/713455856.db2.gz LSWYFYRNPCELJD-JTQLQIEISA-N 0 0 330.222 2.976 10 10 EFCERN CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738434 713456105 /nfs/dbraw/zinc/45/61/05/713456105.db2.gz PXOZOBBOMPHXCC-ZDUSSCGKSA-N 0 0 341.249 2.645 10 10 EFCERN O=C(Cc1ncccc1F)NCc1cc(Br)ccc1O ZINC000804738423 713456159 /nfs/dbraw/zinc/45/61/59/713456159.db2.gz POZRCCHFZHRZNC-UHFFFAOYSA-N 0 0 339.164 2.548 10 10 EFCERN CC[C@H](C)[C@@H](OC)C(=O)NCc1cc(Br)ccc1O ZINC000804739028 713456315 /nfs/dbraw/zinc/45/63/15/713456315.db2.gz NQUUOWOAXMKETO-TVQRCGJNSA-N 0 0 330.222 2.832 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CSCCS1 ZINC000804738206 713456484 /nfs/dbraw/zinc/45/64/84/713456484.db2.gz HFSRKSWNRLGGGM-LLVKDONJSA-N 0 0 348.287 2.620 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CSCCS1 ZINC000804738207 713456500 /nfs/dbraw/zinc/45/65/00/713456500.db2.gz HFSRKSWNRLGGGM-NSHDSACASA-N 0 0 348.287 2.620 10 10 EFCERN C[C@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804739752 713456702 /nfs/dbraw/zinc/45/67/02/713456702.db2.gz RBYIPJLXXKAGSQ-VHSXEESVSA-N 0 0 328.206 2.586 10 10 EFCERN CCOCC1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804740225 713456834 /nfs/dbraw/zinc/45/68/34/713456834.db2.gz CEVUUGAYSGCVAJ-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc2n[nH]cc2c1 ZINC000804739495 713456998 /nfs/dbraw/zinc/45/69/98/713456998.db2.gz ZQDXPWYYDBDPON-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN COCC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804740914 713457007 /nfs/dbraw/zinc/45/70/07/713457007.db2.gz PDUJEDOWUCORKR-UHFFFAOYSA-N 0 0 328.206 2.588 10 10 EFCERN CC[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804740748 713457110 /nfs/dbraw/zinc/45/71/10/713457110.db2.gz MULCKNNFDSVLLE-GWCFXTLKSA-N 0 0 342.233 2.976 10 10 EFCERN COCCc1nsc(NCc2cc(Br)ccc2O)n1 ZINC000804828106 713488237 /nfs/dbraw/zinc/48/82/37/713488237.db2.gz IBVAWSDFFWRLQE-UHFFFAOYSA-N 0 0 344.234 2.807 10 10 EFCERN COCc1nsc(NCc2cc(Br)ccc2O)n1 ZINC000804827239 713488381 /nfs/dbraw/zinc/48/83/81/713488381.db2.gz NVVVLKHTGHRVEE-UHFFFAOYSA-N 0 0 330.207 2.765 10 10 EFCERN CCc1nnc2ccc(NCc3cc(Br)ccc3O)nn21 ZINC000804827125 713488559 /nfs/dbraw/zinc/48/85/59/713488559.db2.gz LLSIIGHBISLAHO-UHFFFAOYSA-N 0 0 348.204 2.767 10 10 EFCERN CCOc1ccc(O)c(CN2CCS(=O)(=O)c3ccccc3C2)c1 ZINC000187685106 714081932 /nfs/dbraw/zinc/08/19/32/714081932.db2.gz AJYOIPAQRCLWBZ-UHFFFAOYSA-N 0 0 347.436 2.580 10 10 EFCERN COC(=O)CC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000846026934 714152270 /nfs/dbraw/zinc/15/22/70/714152270.db2.gz IWMDIZYOMJFNGY-UHFFFAOYSA-N 0 0 328.206 2.648 10 10 EFCERN COc1cccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1O ZINC000096482392 714447013 /nfs/dbraw/zinc/44/70/13/714447013.db2.gz JDTPDRUOPGXCLA-DNKAYRMDSA-N 0 0 344.396 2.676 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1cncc(O)c1 ZINC000255316189 714637303 /nfs/dbraw/zinc/63/73/03/714637303.db2.gz RSUMALIDGWIYLO-YFHOEESVSA-N 0 0 325.412 2.915 10 10 EFCERN CCC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CCO1 ZINC000089471193 715042436 /nfs/dbraw/zinc/04/24/36/715042436.db2.gz DPJOJNMEGGSYMD-CQSZACIVSA-N 0 0 327.384 2.892 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000178711980 715908164 /nfs/dbraw/zinc/90/81/64/715908164.db2.gz CTENQFLEYKXUEA-FQEVSTJZSA-N 0 0 337.467 2.864 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924493458 716376916 /nfs/dbraw/zinc/37/69/16/716376916.db2.gz AFCYOYXOQUCTPP-AAEUAGOBSA-N 0 0 332.322 2.644 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000781908669 716422790 /nfs/dbraw/zinc/42/27/90/716422790.db2.gz KUBKPSBZADFKSS-QQKBFRNYSA-N 0 0 346.290 2.804 10 10 EFCERN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724952897 716487126 /nfs/dbraw/zinc/48/71/26/716487126.db2.gz KWBRUBFLESTFNK-QDYJBQRPSA-N 0 0 332.625 2.811 10 10 EFCERN COc1ccc(N(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cn1 ZINC000065740670 717334292 /nfs/dbraw/zinc/33/42/92/717334292.db2.gz RZWFUACRKNMPMZ-UHFFFAOYSA-N 0 0 336.351 2.931 10 10 EFCERN CC(C)O[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCOC1 ZINC000722340067 717822250 /nfs/dbraw/zinc/82/22/50/717822250.db2.gz LNNABDGIPKBZJR-HNNXBMFYSA-N 0 0 344.249 2.828 10 10 EFCERN Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(O)c1O ZINC000177663679 718152673 /nfs/dbraw/zinc/15/26/73/718152673.db2.gz XWNKZZWUFIUYME-UHFFFAOYSA-N 0 0 337.379 2.864 10 10 EFCERN c1cc(N2CCOCC2)ccc1CNCc1nnc(C2CC2)s1 ZINC000892668718 718414659 /nfs/dbraw/zinc/41/46/59/718414659.db2.gz QXEHOCPPCKPDPX-UHFFFAOYSA-N 0 0 330.457 2.542 10 10 EFCERN Cc1cc(O)c(CN[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949424 718500495 /nfs/dbraw/zinc/50/04/95/718500495.db2.gz XHVKZKSGOPFOKI-AWEZNQCLSA-N 0 0 337.828 2.972 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC(C)(C)CO3)C2)cc1 ZINC000892685391 718668057 /nfs/dbraw/zinc/66/80/57/718668057.db2.gz KUMAMGAUDGBAPI-YOEHRIQHSA-N 0 0 332.444 2.595 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN(C)C1=O ZINC000294582818 719335333 /nfs/dbraw/zinc/33/53/33/719335333.db2.gz YDAJVVAVXDXMAS-SFHVURJKSA-N 0 0 343.471 2.504 10 10 EFCERN C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925853379 719835041 /nfs/dbraw/zinc/83/50/41/719835041.db2.gz INZLQXKIAMCRIH-RNCFNFMXSA-N 0 0 333.310 2.636 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)c1 ZINC000925858579 719857628 /nfs/dbraw/zinc/85/76/28/719857628.db2.gz XLIVEGCRVJNBKZ-ZUZCIYMTSA-N 0 0 346.349 2.514 10 10 EFCERN CCc1cc(NC(=O)C(=O)NCc2cc(OC)ccc2O)ccc1C ZINC000180594027 719952437 /nfs/dbraw/zinc/95/24/37/719952437.db2.gz ICKJZKFJYVQAFN-UHFFFAOYSA-N 0 0 342.395 2.527 10 10 EFCERN CC(C)[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCC(=O)N1 ZINC000840977133 720007405 /nfs/dbraw/zinc/00/74/05/720007405.db2.gz SDRAJAPXIROIAG-GFCCVEGCSA-N 0 0 341.249 2.644 10 10 EFCERN COC(=O)CN(Cc1[nH]nc(C)c1C)Cc1cc(Cl)ccc1O ZINC000894014668 720227025 /nfs/dbraw/zinc/22/70/25/720227025.db2.gz PACWUKPTWFZIJV-UHFFFAOYSA-N 0 0 337.807 2.561 10 10 EFCERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(C)C ZINC000178722080 720647460 /nfs/dbraw/zinc/64/74/60/720647460.db2.gz LJDTVILZFJFRKX-GOSISDBHSA-N 0 0 341.455 2.903 10 10 EFCERN C[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000123202522 720823278 /nfs/dbraw/zinc/82/32/78/720823278.db2.gz LVLDJLAUPGPDNL-HOTGVXAUSA-N 0 0 346.471 2.763 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCSC2(CCC2)C1 ZINC000925260315 724720179 /nfs/dbraw/zinc/72/01/79/724720179.db2.gz XUXWUVAAYMJGKW-CQSZACIVSA-N 0 0 346.452 2.975 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1snnc1C(C)(C)C ZINC000194470426 721027241 /nfs/dbraw/zinc/02/72/41/721027241.db2.gz LTGYVGZKIFSAST-VIFPVBQESA-N 0 0 335.429 2.608 10 10 EFCERN C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000195432690 721125485 /nfs/dbraw/zinc/12/54/85/721125485.db2.gz KUYXPHKVKFZJGV-PBHICJAKSA-N 0 0 334.485 2.529 10 10 EFCERN Cc1cc(CCN2C(=O)[C@@H](C)NC2=S)c(C)n1-c1ccccc1 ZINC000015570542 721171668 /nfs/dbraw/zinc/17/16/68/721171668.db2.gz VNYXNRBIKOPLDF-CYBMUJFWSA-N 0 0 327.453 2.742 10 10 EFCERN COC(=O)c1c(CNCc2nccs2)c2cc(F)ccc2n1C ZINC000894199981 721193493 /nfs/dbraw/zinc/19/34/93/721193493.db2.gz ODOFWUQOZNCDOZ-UHFFFAOYSA-N 0 0 333.388 2.850 10 10 EFCERN COC(=O)c1c(CNCc2cc(C)on2)c2cc(F)ccc2n1C ZINC000894204043 721198224 /nfs/dbraw/zinc/19/82/24/721198224.db2.gz HNAIIULBAHQWMG-UHFFFAOYSA-N 0 0 331.347 2.690 10 10 EFCERN COCCN(CC(C)C)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000026115919 721388347 /nfs/dbraw/zinc/38/83/47/721388347.db2.gz YDGAOMZAFBXYCL-UHFFFAOYSA-N 0 0 329.400 2.995 10 10 EFCERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894285448 721920056 /nfs/dbraw/zinc/92/00/56/721920056.db2.gz WSSLWSWKORCZKO-LZWOXQAQSA-N 0 0 347.459 2.845 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1c2c(nn1C)CCSC2 ZINC000894469995 722748498 /nfs/dbraw/zinc/74/84/98/722748498.db2.gz LCXRVCAJIWXFCI-UHFFFAOYSA-N 0 0 344.484 2.674 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@H]1CCCC1(F)F ZINC000925078407 722821638 /nfs/dbraw/zinc/82/16/38/722821638.db2.gz LSXMWYRPJOEFHE-CYBMUJFWSA-N 0 0 338.354 2.982 10 10 EFCERN COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000894781068 722846657 /nfs/dbraw/zinc/84/66/57/722846657.db2.gz NIJOFYOMJUXLFX-SCZZXKLOSA-N 0 0 340.153 2.843 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)NCCCSc2nccs2)[nH]n1 ZINC000154484700 728776365 /nfs/dbraw/zinc/77/63/65/728776365.db2.gz ONFIZGJCFFTCPU-JTQLQIEISA-N 0 0 339.490 2.587 10 10 EFCERN C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916008 723027922 /nfs/dbraw/zinc/02/79/22/723027922.db2.gz HPUFUZLCCJELND-SNVBAGLBSA-N 0 0 338.320 2.986 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(n2ccnc2)CC1 ZINC000896010472 723093119 /nfs/dbraw/zinc/09/31/19/723093119.db2.gz QPNJTQPUFCNTKD-UHFFFAOYSA-N 0 0 343.408 2.986 10 10 EFCERN O=C(NCc1ccccc1O)[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC000896015285 723096688 /nfs/dbraw/zinc/09/66/88/723096688.db2.gz KXUVRRBEZIGTGP-QGZVFWFLSA-N 0 0 337.375 2.885 10 10 EFCERN Cc1n[nH]cc1CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896042614 723110241 /nfs/dbraw/zinc/11/02/41/723110241.db2.gz FEJZWSSJQMIXKF-UHFFFAOYSA-N 0 0 331.397 2.707 10 10 EFCERN O=C(NC[C@@H](O)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896133170 723152241 /nfs/dbraw/zinc/15/22/41/723152241.db2.gz NMDINHBHYYSFDT-CQSZACIVSA-N 0 0 335.425 2.984 10 10 EFCERN CCn1cc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000896354732 723266996 /nfs/dbraw/zinc/26/69/96/723266996.db2.gz OEBZPDPAWINLEA-UHFFFAOYSA-N 0 0 331.397 2.801 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](C(F)(F)F)C1 ZINC000896513553 723324318 /nfs/dbraw/zinc/32/43/18/723324318.db2.gz VMOSPRRMMLZYGD-LBPRGKRZSA-N 0 0 347.314 2.716 10 10 EFCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]2CCO[C@H]21 ZINC000896604060 723403136 /nfs/dbraw/zinc/40/31/36/723403136.db2.gz SRAGZQDGBBMQPB-DFKRKDTASA-N 0 0 333.409 2.856 10 10 EFCERN Cc1nn(C)c(C)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896745021 723459892 /nfs/dbraw/zinc/45/98/92/723459892.db2.gz SWEDGXOQBZQKRM-UHFFFAOYSA-N 0 0 331.397 2.593 10 10 EFCERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC1CCCC1 ZINC000896827709 723509504 /nfs/dbraw/zinc/50/95/04/723509504.db2.gz JHJVACHKKWXOSZ-VIFPVBQESA-N 0 0 349.408 2.917 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000154638471 728833265 /nfs/dbraw/zinc/83/32/65/728833265.db2.gz NEAASLICZVNSHZ-BMFZPTHFSA-N 0 0 339.395 2.938 10 10 EFCERN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC[C@H]1O ZINC000896934289 723896268 /nfs/dbraw/zinc/89/62/68/723896268.db2.gz MZHKVLGUBBWHHW-WBVHZDCISA-N 0 0 335.425 2.984 10 10 EFCERN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)[n-]1 ZINC000895238302 723914236 /nfs/dbraw/zinc/91/42/36/723914236.db2.gz XNQIBZJFPWSBJF-CYBMUJFWSA-N 0 0 345.447 2.678 10 10 EFCERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897195839 724076329 /nfs/dbraw/zinc/07/63/29/724076329.db2.gz SXJZEAIZBHUPKM-JQAFLVLXSA-N 0 0 345.420 3.000 10 10 EFCERN Cn1ccnc1[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897218394 724087566 /nfs/dbraw/zinc/08/75/66/724087566.db2.gz NEKGJLVFBLKLFP-JTQLQIEISA-N 0 0 343.408 2.676 10 10 EFCERN COc1cccc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cnn21 ZINC000895485313 724161932 /nfs/dbraw/zinc/16/19/32/724161932.db2.gz PSFPUWHDXKKTJX-UHFFFAOYSA-N 0 0 338.411 2.681 10 10 EFCERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)[C@@H]1SC ZINC000895512144 724175177 /nfs/dbraw/zinc/17/51/77/724175177.db2.gz FRMMFBIWJYGQAZ-BZPMIXESSA-N 0 0 344.864 2.754 10 10 EFCERN COc1c(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000895582930 724206069 /nfs/dbraw/zinc/20/60/69/724206069.db2.gz UPFUABGKIVKDHO-LLVKDONJSA-N 0 0 335.385 2.755 10 10 EFCERN C[C@@H]1CO[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1 ZINC000895601992 724215575 /nfs/dbraw/zinc/21/55/75/724215575.db2.gz UOGRZJPMMQQNQW-IPELMVKDSA-N 0 0 346.471 2.685 10 10 EFCERN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000895634272 724228347 /nfs/dbraw/zinc/22/83/47/724228347.db2.gz KUTGWUZVQQAJLK-GOSISDBHSA-N 0 0 335.350 2.603 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677482 724248810 /nfs/dbraw/zinc/24/88/10/724248810.db2.gz MEXFWIDKUAUQFY-MRVPVSSYSA-N 0 0 337.647 2.833 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(C2CC2)CC1 ZINC000895780554 724318515 /nfs/dbraw/zinc/31/85/15/724318515.db2.gz MZHCGFDAWABJHM-UHFFFAOYSA-N 0 0 328.456 2.702 10 10 EFCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])O2 ZINC000895818132 724330655 /nfs/dbraw/zinc/33/06/55/724330655.db2.gz BRMMTLOSIKJUBM-JJTUWOBKSA-N 0 0 327.371 2.733 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836303 724343349 /nfs/dbraw/zinc/34/33/49/724343349.db2.gz KZWDXGUQGDUPJN-LBPRGKRZSA-N 0 0 327.705 2.931 10 10 EFCERN CCN(CC)c1ccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)OC)cc1 ZINC000895861672 724344838 /nfs/dbraw/zinc/34/48/38/724344838.db2.gz GMNSEINGUPUKSC-ROUUACIJSA-N 0 0 334.460 2.733 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895848196 724348627 /nfs/dbraw/zinc/34/86/27/724348627.db2.gz XYERTBSYCBQLJY-YGRLFVJLSA-N 0 0 326.780 2.955 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895848193 724348669 /nfs/dbraw/zinc/34/86/69/724348669.db2.gz XYERTBSYCBQLJY-HZMBPMFUSA-N 0 0 326.780 2.955 10 10 EFCERN Cn1nc2c(c1NC(=O)c1cc3cc(O)c(O)cc3s1)CCC2 ZINC000895857456 724355220 /nfs/dbraw/zinc/35/52/20/724355220.db2.gz AXYPGYVTPXHQLX-UHFFFAOYSA-N 0 0 329.381 2.787 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000918745157 728919854 /nfs/dbraw/zinc/91/98/54/728919854.db2.gz DVWKMGJFCMZBDS-CYBMUJFWSA-N 0 0 336.432 2.794 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000918736080 728918389 /nfs/dbraw/zinc/91/83/89/728918389.db2.gz PWIVJCXCLPHGPG-KGXGESDWSA-N 0 0 334.372 2.786 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000918736082 728918397 /nfs/dbraw/zinc/91/83/97/728918397.db2.gz PWIVJCXCLPHGPG-RCQQVGEISA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)OC[C@@H]3COCCO3)c2C)cc1 ZINC000729102325 725434381 /nfs/dbraw/zinc/43/43/81/725434381.db2.gz JGALVRXLWGKRCJ-KRWDZBQOSA-N 0 0 345.395 2.675 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000913764043 725853694 /nfs/dbraw/zinc/85/36/94/725853694.db2.gz ZGUSSYNBAIKXML-OUCADQQQSA-N 0 0 334.416 2.730 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1COc2ccccc2C1 ZINC000913938547 725961666 /nfs/dbraw/zinc/96/16/66/725961666.db2.gz BOHSVUPRLUCZOG-LBPRGKRZSA-N 0 0 330.359 2.582 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000914163483 726093272 /nfs/dbraw/zinc/09/32/72/726093272.db2.gz YWMWUJIHIAKFRR-CQSZACIVSA-N 0 0 343.402 2.857 10 10 EFCERN O=C(NCCC1CC=CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000914242571 726194286 /nfs/dbraw/zinc/19/42/86/726194286.db2.gz NMJJURDTSCVIJG-UHFFFAOYSA-N 0 0 347.434 2.818 10 10 EFCERN COC[C@@H](C)n1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897458471 726216847 /nfs/dbraw/zinc/21/68/47/726216847.db2.gz BSVYVMBHCIEWRM-SECBINFHSA-N 0 0 347.396 2.969 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@]12C[C@H]1CCC2 ZINC000914334746 726240799 /nfs/dbraw/zinc/24/07/99/726240799.db2.gz DGYQYMSAHPXLTA-APWZRJJASA-N 0 0 329.444 2.513 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000914335100 726241163 /nfs/dbraw/zinc/24/11/63/726241163.db2.gz KIOHSDTXZNAGLE-ZBFHGGJFSA-N 0 0 349.500 2.607 10 10 EFCERN COc1ccc(OCCCNC(=O)NCc2c(O)cccc2F)cc1 ZINC000914359776 726262912 /nfs/dbraw/zinc/26/29/12/726262912.db2.gz WEWQFPPJAAGPLZ-UHFFFAOYSA-N 0 0 348.374 2.808 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000914391965 726277538 /nfs/dbraw/zinc/27/75/38/726277538.db2.gz PLFRHVLJUZEIEM-ZDUSSCGKSA-N 0 0 348.472 2.714 10 10 EFCERN Cc1cc(CCNC(=O)NCC(C)(C)O)c(C)n1-c1ccccc1 ZINC000731116687 726806818 /nfs/dbraw/zinc/80/68/18/726806818.db2.gz NILUMGIBBJYKLD-UHFFFAOYSA-N 0 0 329.444 2.707 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCCO1 ZINC000907103750 726861621 /nfs/dbraw/zinc/86/16/21/726861621.db2.gz HEPCYDUGNUFGRE-YXJHDRRASA-N 0 0 333.428 2.715 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000907103752 726861639 /nfs/dbraw/zinc/86/16/39/726861639.db2.gz HEPCYDUGNUFGRE-ZVZYQTTQSA-N 0 0 333.428 2.715 10 10 EFCERN COc1ccc(CNS(=O)(=O)c2c(C)csc2C)c(O)c1 ZINC000915165660 726888100 /nfs/dbraw/zinc/88/81/00/726888100.db2.gz YEMHKPJMCSBZDE-UHFFFAOYSA-N 0 0 327.427 2.558 10 10 EFCERN C/C=C\C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OCC ZINC000907399361 726928514 /nfs/dbraw/zinc/92/85/14/726928514.db2.gz GKMAZMDKFWIVPZ-USEMIUTHSA-N 0 0 349.408 2.940 10 10 EFCERN O=C(COC(=O)C1=CC(=O)CS1)N[C@H]1CCCc2ccccc21 ZINC000731912242 726954132 /nfs/dbraw/zinc/95/41/32/726954132.db2.gz RPHITPVYZXZJQA-AWEZNQCLSA-N 0 0 331.393 2.804 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2([C@H]3CCCCO3)CC2)cc1F ZINC000915366300 726963915 /nfs/dbraw/zinc/96/39/15/726963915.db2.gz OAUSDBYHRJUUCC-MRXNPFEDSA-N 0 0 335.423 2.793 10 10 EFCERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCS1 ZINC000915367010 726964434 /nfs/dbraw/zinc/96/44/34/726964434.db2.gz UPKCLGVUDSDMBO-WCQYABFASA-N 0 0 325.453 2.975 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCc3cccc(Cl)c32)c1 ZINC000731973837 726967895 /nfs/dbraw/zinc/96/78/95/726967895.db2.gz LAOINYABKZTRDA-AATRIKPKSA-N 0 0 341.798 2.697 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)[C@@H]1CCCO1 ZINC000907758692 727009649 /nfs/dbraw/zinc/00/96/49/727009649.db2.gz SGPIRXKHHGEBFG-CABZTGNLSA-N 0 0 328.206 2.586 10 10 EFCERN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COC1CC1 ZINC000907763598 727010734 /nfs/dbraw/zinc/01/07/34/727010734.db2.gz MQQIIUCRHRVRLP-UHFFFAOYSA-N 0 0 348.443 2.554 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000910559625 727452839 /nfs/dbraw/zinc/45/28/39/727452839.db2.gz XSSUPAOZBXFQGJ-KYNGSXCRSA-N 0 0 330.472 2.923 10 10 EFCERN COc1ccccc1NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000175028482 727459904 /nfs/dbraw/zinc/45/99/04/727459904.db2.gz DWGHSWUHMRHCCW-UHFFFAOYSA-N 0 0 341.411 2.599 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc([C@@H]2CCCOC2)c1 ZINC000910949314 727472633 /nfs/dbraw/zinc/47/26/33/727472633.db2.gz INPPISFSZYIUKS-MRXNPFEDSA-N 0 0 327.380 2.922 10 10 EFCERN Cc1ccc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cc1C ZINC000910957897 727473010 /nfs/dbraw/zinc/47/30/10/727473010.db2.gz PVGJDMQLMWXIFN-UHFFFAOYSA-N 0 0 327.380 2.994 10 10 EFCERN CCn1nc(C2CC2)cc1C(=O)NCc1ccc2cccnc2c1O ZINC000911262754 727520936 /nfs/dbraw/zinc/52/09/36/727520936.db2.gz VEVKLXWEFGWESC-UHFFFAOYSA-N 0 0 336.395 2.964 10 10 EFCERN Cc1ccc(/C=C\C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cn1 ZINC000911692463 727584101 /nfs/dbraw/zinc/58/41/01/727584101.db2.gz PHTIBKLUMHCJSP-LZNQSLFOSA-N 0 0 326.371 2.740 10 10 EFCERN CC(C)(C)c1cnc(Sc2nccc(S(C)(=O)=O)n2)s1 ZINC000911977563 727626551 /nfs/dbraw/zinc/62/65/51/727626551.db2.gz FNDAZQWZJTWQDF-UHFFFAOYSA-N 0 0 329.472 2.785 10 10 EFCERN CC(C)(CO)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000911975854 727631169 /nfs/dbraw/zinc/63/11/69/727631169.db2.gz SFYKWKOXSQLZJJ-HNNXBMFYSA-N 0 0 335.425 2.839 10 10 EFCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2n(n1)CCCC2 ZINC000912034543 727638783 /nfs/dbraw/zinc/63/87/83/727638783.db2.gz SMOHSCPKBKIBQG-WMADIVHISA-N 0 0 327.384 2.521 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2c2nccs2)c1 ZINC000153885646 727664980 /nfs/dbraw/zinc/66/49/80/727664980.db2.gz SGNCWQCXFFFYCM-BXUZGUMPSA-N 0 0 347.440 2.704 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@@H](C)C(C)(C)OC)CC2)cc1 ZINC000916225047 727668712 /nfs/dbraw/zinc/66/87/12/727668712.db2.gz CCYYIZXZUPCCKS-AWEZNQCLSA-N 0 0 349.475 2.777 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4[nH]ccc4n3)C2)cc1 ZINC000912292262 727688915 /nfs/dbraw/zinc/68/89/15/727688915.db2.gz KLGAJIBNPPJBOQ-CYBMUJFWSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)c3nccs3)C2)cc1 ZINC000912292035 727688971 /nfs/dbraw/zinc/68/89/71/727688971.db2.gz HHACXHCODDIZEQ-ZDUSSCGKSA-N 0 0 345.468 2.824 10 10 EFCERN O=C(NCc1ccc2c(c1)OCCCO2)NCc1c(O)cccc1F ZINC000916474384 727689745 /nfs/dbraw/zinc/68/97/45/727689745.db2.gz OSFGDHNGKLGRJU-UHFFFAOYSA-N 0 0 346.358 2.692 10 10 EFCERN O=C1c2ccccc2C(=O)N1CCN1CCc2cc(F)c(F)cc21 ZINC000917114542 727771880 /nfs/dbraw/zinc/77/18/80/727771880.db2.gz DQBBRKGLADPIQK-UHFFFAOYSA-N 0 0 328.318 2.624 10 10 EFCERN Cc1cc(CNC(=O)CC2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000913167362 727791387 /nfs/dbraw/zinc/79/13/87/727791387.db2.gz RNSOYYDHZBEHES-UHFFFAOYSA-N 0 0 342.439 2.642 10 10 EFCERN Cc1cc(O)c(CN2CCS(=O)(=O)C(C)(C)C2)cc1C(C)C ZINC000151434102 727863401 /nfs/dbraw/zinc/86/34/01/727863401.db2.gz PMSHNYNINLGADP-UHFFFAOYSA-N 0 0 325.474 2.833 10 10 EFCERN Cc1cc(C)n([C@@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000156351825 727910697 /nfs/dbraw/zinc/91/06/97/727910697.db2.gz JCSUHNBOYUCDDV-AWEZNQCLSA-N 0 0 327.428 2.962 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(C)n2)cc1 ZINC000057074435 728067207 /nfs/dbraw/zinc/06/72/07/728067207.db2.gz GFUIKPFFPXEIJX-UHFFFAOYSA-N 0 0 327.432 2.631 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000929405863 728343837 /nfs/dbraw/zinc/34/38/37/728343837.db2.gz RXWVVTNPHFOKDO-ZIAGYGMSSA-N 0 0 330.350 2.869 10 10 EFCERN CCn1c(C)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S ZINC000171023253 728508673 /nfs/dbraw/zinc/50/86/73/728508673.db2.gz CEPSQFXHRZHRMU-UHFFFAOYSA-N 0 0 347.488 2.531 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2ccc(-c3ncon3)cc2)c1 ZINC000172060846 728563946 /nfs/dbraw/zinc/56/39/46/728563946.db2.gz ZBHXGBBTXPZPKZ-UHFFFAOYSA-N 0 0 340.339 2.773 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172447722 728590787 /nfs/dbraw/zinc/59/07/87/728590787.db2.gz FPEOAEPLQWPPME-KGLIPLIRSA-N 0 0 345.468 2.930 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)c3cccnc3)CC2)cc1 ZINC000062634830 728592580 /nfs/dbraw/zinc/59/25/80/728592580.db2.gz MICIPGUXPZPASJ-MRXNPFEDSA-N 0 0 339.439 2.933 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1ncccn1)C1CC1 ZINC000919082047 728969270 /nfs/dbraw/zinc/96/92/70/728969270.db2.gz SFJKDHCBVHOZLO-QGZVFWFLSA-N 0 0 339.443 2.802 10 10 EFCERN CCc1onc(C)c1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000919081975 728969283 /nfs/dbraw/zinc/96/92/83/728969283.db2.gz PTCNSHDEHHGBMM-UHFFFAOYSA-N 0 0 330.432 2.919 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1ncccn1)C1CC1 ZINC000919082046 728969423 /nfs/dbraw/zinc/96/94/23/728969423.db2.gz SFJKDHCBVHOZLO-KRWDZBQOSA-N 0 0 339.443 2.802 10 10 EFCERN CCOCCOCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000919926526 729111914 /nfs/dbraw/zinc/11/19/14/729111914.db2.gz QVWBJYXYCSUELV-UHFFFAOYSA-N 0 0 344.455 2.806 10 10 EFCERN CCCC(=O)NCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000920820504 729230589 /nfs/dbraw/zinc/23/05/89/729230589.db2.gz JXZOZYCKPLLBDQ-UHFFFAOYSA-N 0 0 341.455 2.669 10 10 EFCERN COCc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000920881706 729239704 /nfs/dbraw/zinc/23/97/04/729239704.db2.gz POVSXSUWLJEJHT-CQSZACIVSA-N 0 0 344.411 2.754 10 10 EFCERN O=C(NCCCSc1nccs1)NCc1c(O)cccc1F ZINC000921447978 729459907 /nfs/dbraw/zinc/45/99/07/729459907.db2.gz ZQPWLCANVGUUPZ-UHFFFAOYSA-N 0 0 341.433 2.969 10 10 EFCERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921451200 729460540 /nfs/dbraw/zinc/46/05/40/729460540.db2.gz LLTWPXIJTRTARD-MRVPVSSYSA-N 0 0 329.315 2.539 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)NCc1c(O)cccc1F ZINC000921452676 729460846 /nfs/dbraw/zinc/46/08/46/729460846.db2.gz WGAUAASTBSSUJL-UHFFFAOYSA-N 0 0 339.388 2.635 10 10 EFCERN C[C@H](NC(=O)N1CCCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000068549190 729719016 /nfs/dbraw/zinc/71/90/16/729719016.db2.gz JHNSEGFSGCGKJK-HNNXBMFYSA-N 0 0 349.500 2.733 10 10 EFCERN COc1ccc(N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000068678547 729741007 /nfs/dbraw/zinc/74/10/07/729741007.db2.gz ARVLLZHTPUZGAA-UHFFFAOYSA-N 0 0 343.402 2.595 10 10 EFCERN CCc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1C ZINC000180481731 729749081 /nfs/dbraw/zinc/74/90/81/729749081.db2.gz DMLAUWRSDVOHKP-UHFFFAOYSA-N 0 0 339.439 2.878 10 10 EFCERN CCCn1cc(CN2CCN(c3ccc(OC)c(F)c3)CC2)cn1 ZINC000180550542 729760193 /nfs/dbraw/zinc/76/01/93/729760193.db2.gz FQBXOXSEGCJVTQ-UHFFFAOYSA-N 0 0 332.423 2.763 10 10 EFCERN COC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000180656950 729763177 /nfs/dbraw/zinc/76/31/77/729763177.db2.gz PQKWKRWHEDIZRM-JKSUJKDBSA-N 0 0 348.468 2.829 10 10 EFCERN CC(C)c1nc2c(n1C)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000181074565 729778884 /nfs/dbraw/zinc/77/88/84/729778884.db2.gz UTHGZMMDTANGJE-FNORWQNLSA-N 0 0 341.411 2.553 10 10 EFCERN CCc1nn(C)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570018076 1085865667 /nfs/dbraw/zinc/86/56/67/1085865667.db2.gz VPCDXKROTPJTCI-UHFFFAOYSA-N 0 0 346.394 2.945 10 10 EFCERN O=C(CCc1cn[nH]c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570018026 1085866018 /nfs/dbraw/zinc/86/60/18/1085866018.db2.gz TZYSDVPSIKKWIK-UHFFFAOYSA-N 0 0 332.367 2.691 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1[nH]cnc1C(F)(F)F ZINC001570533510 1086323565 /nfs/dbraw/zinc/32/35/65/1086323565.db2.gz FNOKKDYNUQUTFU-UHFFFAOYSA-N 0 0 336.273 2.612 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccnc(-c2ncc[nH]2)c1 ZINC001570533875 1086323687 /nfs/dbraw/zinc/32/36/87/1086323687.db2.gz UNZJWZHHRAEMCV-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H](O)c1ccc(Cl)cc1 ZINC001570533667 1086325099 /nfs/dbraw/zinc/32/50/99/1086325099.db2.gz LWOLJKMDCUJSHJ-QGZVFWFLSA-N 0 0 342.782 2.944 10 10 EFCERN CC1(C)CC2(CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)CO1 ZINC001646436724 1087770430 /nfs/dbraw/zinc/77/04/30/1087770430.db2.gz LIWVAZHKLAIURD-UHFFFAOYSA-N 0 0 330.388 2.927 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC001646864190 1088423171 /nfs/dbraw/zinc/42/31/71/1088423171.db2.gz MQZFJHMKJSFIDE-UHFFFAOYSA-N 0 0 329.356 2.987 10 10 EFCERN COc1ccc(C(=O)NCc2c(O)cccc2O)c(OCC2CC2)c1 ZINC001647268973 1089186543 /nfs/dbraw/zinc/18/65/43/1089186543.db2.gz FGEHMOGGXZXZGN-UHFFFAOYSA-N 0 0 343.379 2.825 10 10 EFCERN C[C@@H](CC(=O)NCc1c(O)cccc1O)C(=O)c1cccc(F)c1 ZINC001647268781 1089186827 /nfs/dbraw/zinc/18/68/27/1089186827.db2.gz CDUOSGQXANXSFE-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN CCOc1ccc(N(CC(=O)Nc2ccncc2)CC2CC2)cc1 ZINC001620499348 1090419209 /nfs/dbraw/zinc/41/92/09/1090419209.db2.gz MXHSQACTVMMSJP-UHFFFAOYSA-N 0 0 325.412 2.757 10 10 EFCERN O=C(/C=C/c1cncc(F)c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001583360421 1091978170 /nfs/dbraw/zinc/97/81/70/1091978170.db2.gz FVEYZQPJJUYPFT-DAFODLJHSA-N 0 0 331.278 2.871 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC001583484136 1092013434 /nfs/dbraw/zinc/01/34/34/1092013434.db2.gz DQBJNXJIISRVTQ-MRXNPFEDSA-N 0 0 343.379 2.837 10 10 EFCERN C[C@@H]1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)CCCN4C)c2C1 ZINC001583628077 1092052051 /nfs/dbraw/zinc/05/20/51/1092052051.db2.gz RKGZYXJKYDZKOV-CYBMUJFWSA-N 0 0 338.455 2.847 10 10 EFCERN COc1cccc(C2=CCN(C(=O)c3c(F)ccc(O)c3O)C2)c1 ZINC001648676880 1092251319 /nfs/dbraw/zinc/25/13/19/1092251319.db2.gz SHZOJUREVDWNDG-UHFFFAOYSA-N 0 0 329.327 2.785 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC001648723257 1092260411 /nfs/dbraw/zinc/26/04/11/1092260411.db2.gz YRHPGTGUQBBPAX-UHFFFAOYSA-N 0 0 335.323 2.943 10 10 EFCERN CCn1nc(C)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001584747015 1092270107 /nfs/dbraw/zinc/27/01/07/1092270107.db2.gz BNWACIGIHNOSEF-UHFFFAOYSA-N 0 0 328.376 2.612 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)c1 ZINC001584983127 1092346206 /nfs/dbraw/zinc/34/62/06/1092346206.db2.gz FDTGXZNCHSORHU-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)c1 ZINC001584989104 1092346415 /nfs/dbraw/zinc/34/64/15/1092346415.db2.gz QDHFREWQWJVTJW-AWEZNQCLSA-N 0 0 328.343 2.582 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2nscc2Br)c1 ZINC001584983665 1092346618 /nfs/dbraw/zinc/34/66/18/1092346618.db2.gz PCECVBXRFCGYDA-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1cccc(O)c1O ZINC001585056895 1092359555 /nfs/dbraw/zinc/35/95/55/1092359555.db2.gz FBRKPDKWVATUHP-NSHDSACASA-N 0 0 342.178 2.868 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001585108372 1092371292 /nfs/dbraw/zinc/37/12/92/1092371292.db2.gz DJWZKSILXWGGFL-OAHLLOKOSA-N 0 0 349.390 2.630 10 10 EFCERN COC(=O)c1cccc2c1CCN2C(=O)/C=C\c1cnc(C)s1 ZINC001585233980 1092414007 /nfs/dbraw/zinc/41/40/07/1092414007.db2.gz CDEHBDXQGCGASG-SREVYHEPSA-N 0 0 328.393 2.841 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cn(C2CCC2)nn1 ZINC000843606366 1092641711 /nfs/dbraw/zinc/64/17/11/1092641711.db2.gz AEQUNUJDXJACCL-CQSZACIVSA-N 0 0 341.459 2.739 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588506460 1092655704 /nfs/dbraw/zinc/65/57/04/1092655704.db2.gz YYPSQHYERGVRFZ-USEMIUTHSA-N 0 0 332.787 2.907 10 10 EFCERN C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccccc1O ZINC001587451408 1092813074 /nfs/dbraw/zinc/81/30/74/1092813074.db2.gz UCGJNECFRLNEQF-LBPRGKRZSA-N 0 0 338.367 2.647 10 10 EFCERN C[C@@H](NC(=O)Cn1cc(C=O)c(-c2ccccc2)n1)c1ccccc1O ZINC001587446929 1092813394 /nfs/dbraw/zinc/81/33/94/1092813394.db2.gz CNNSKBNEXDFLEB-CQSZACIVSA-N 0 0 349.390 2.946 10 10 EFCERN Cc1nc(-c2ccc(C)c(NC(=O)Cc3ccc(O)c(O)c3)c2)n[nH]1 ZINC001587548325 1092820878 /nfs/dbraw/zinc/82/08/78/1092820878.db2.gz FVWXMLCURMVMPD-UHFFFAOYSA-N 0 0 338.367 2.681 10 10 EFCERN Cc1oc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1CO ZINC001587551954 1092821407 /nfs/dbraw/zinc/82/14/07/1092821407.db2.gz JGGYNRVFMMHICE-UHFFFAOYSA-N 0 0 328.412 2.953 10 10 EFCERN CCOC(=O)[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587551866 1092821599 /nfs/dbraw/zinc/82/15/99/1092821599.db2.gz GQOBFSHLEFGGPN-KRWDZBQOSA-N 0 0 332.444 2.835 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC001588155139 1092899059 /nfs/dbraw/zinc/89/90/59/1092899059.db2.gz BDUOYQWHCKLZPY-UHFFFAOYSA-N 0 0 326.327 2.854 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001651225656 1093542232 /nfs/dbraw/zinc/54/22/32/1093542232.db2.gz SHTYKVQGUSNVPV-UHFFFAOYSA-N 0 0 340.694 2.729 10 10 EFCERN O=C(COc1ccc(C(F)(F)F)cc1)NCc1cc(O)ccc1O ZINC001593872784 1094412844 /nfs/dbraw/zinc/41/28/44/1094412844.db2.gz DXSHXBJBRRVGJC-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593873744 1094413884 /nfs/dbraw/zinc/41/38/84/1094413884.db2.gz ZGOGXNSQDZGUCG-BZNIZROVSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1oc(Br)cc1C(=O)NCc1cc(O)ccc1O ZINC001593882416 1094414296 /nfs/dbraw/zinc/41/42/96/1094414296.db2.gz WNFGVHAIKSLWHJ-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN COc1ccc(C(=O)NCc2cc(O)ccc2O)c(OC(F)F)c1 ZINC001593881060 1094414363 /nfs/dbraw/zinc/41/43/63/1094414363.db2.gz DNPUHEBRBSEBIX-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCn2ccnc2)c1 ZINC001595685397 1094485570 /nfs/dbraw/zinc/48/55/70/1094485570.db2.gz YIUWQUNOXUUYGC-UHFFFAOYSA-N 0 0 336.395 2.533 10 10 EFCERN COC(=O)[C@@H](F)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001595803658 1094495579 /nfs/dbraw/zinc/49/55/79/1094495579.db2.gz CSHUPZBZEOJTRY-KRWDZBQOSA-N 0 0 346.402 2.952 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccccc2O)C1(C)C ZINC001595800366 1094495864 /nfs/dbraw/zinc/49/58/64/1094495864.db2.gz VYANBBCRKMKQIU-HIFRSBDPSA-N 0 0 348.443 2.948 10 10 EFCERN Cc1cc(CCNC(=O)c2cn(C)ccc2=O)c(C)n1-c1ccccc1 ZINC001595949644 1094505725 /nfs/dbraw/zinc/50/57/25/1094505725.db2.gz BFJFUQIZNZAPMS-UHFFFAOYSA-N 0 0 349.434 2.765 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(Br)cnc1F ZINC001596917129 1094552805 /nfs/dbraw/zinc/55/28/05/1094552805.db2.gz VQSIOSMNDGLBBW-UHFFFAOYSA-N 0 0 343.127 2.758 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001596916121 1094553382 /nfs/dbraw/zinc/55/33/82/1094553382.db2.gz AAGUHUIWDNEVEN-AWEZNQCLSA-N 0 0 343.276 2.900 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C)[C@@H](C)O1 ZINC000782952489 1094557184 /nfs/dbraw/zinc/55/71/84/1094557184.db2.gz CCUAIWZZLFAFHB-RBSFLKMASA-N 0 0 331.460 2.776 10 10 EFCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](c2ccccc2)O1 ZINC001597306307 1094578609 /nfs/dbraw/zinc/57/86/09/1094578609.db2.gz WIWVLWZYFIXVQR-UGSOOPFHSA-N 0 0 327.380 2.629 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cccc(=O)[nH]1 ZINC001597312754 1094580001 /nfs/dbraw/zinc/58/00/01/1094580001.db2.gz PBAZQTVRYWCPTP-UHFFFAOYSA-N 0 0 349.390 2.937 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc2c(c1)CCCCC2=O ZINC001597573793 1094602317 /nfs/dbraw/zinc/60/23/17/1094602317.db2.gz GOUUHRXGRXWYEE-UHFFFAOYSA-N 0 0 325.364 2.937 10 10 EFCERN Cc1cc(C(=O)N[C@]2(C)CCNC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001597682609 1094613831 /nfs/dbraw/zinc/61/38/31/1094613831.db2.gz VYROKYWVQXQXNF-HXUWFJFHSA-N 0 0 339.439 2.719 10 10 EFCERN C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597736528 1094618658 /nfs/dbraw/zinc/61/86/58/1094618658.db2.gz FNTCMIYHDXYBSP-LBPRGKRZSA-N 0 0 328.412 2.712 10 10 EFCERN COC(=O)[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001597749249 1094619636 /nfs/dbraw/zinc/61/96/36/1094619636.db2.gz YMDHVDRHKJNCBE-KRWDZBQOSA-N 0 0 326.396 2.790 10 10 EFCERN NC(=O)Nc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001597736332 1094619719 /nfs/dbraw/zinc/61/97/19/1094619719.db2.gz DCMZTKYYDDQXLO-UHFFFAOYSA-N 0 0 335.363 2.966 10 10 EFCERN CC(C)CC(=O)NCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001597736679 1094619823 /nfs/dbraw/zinc/61/98/23/1094619823.db2.gz IKYHRGVEEUVPGA-UHFFFAOYSA-N 0 0 328.412 2.714 10 10 EFCERN Cc1ncccc1/C=C\C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001598375881 1094675157 /nfs/dbraw/zinc/67/51/57/1094675157.db2.gz CXEHBONBPSDKPU-PLNGDYQASA-N 0 0 329.306 2.667 10 10 EFCERN Cc1ncccc1/C=C/C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001598375883 1094675775 /nfs/dbraw/zinc/67/57/75/1094675775.db2.gz CXEHBONBPSDKPU-SNAWJCMRSA-N 0 0 329.306 2.667 10 10 EFCERN CSc1cc2c(cc1NC(=O)c1cccc(O)c1O)OCCO2 ZINC001598435870 1094677963 /nfs/dbraw/zinc/67/79/63/1094677963.db2.gz ZDMWOVMFLYCJQN-UHFFFAOYSA-N 0 0 333.365 2.843 10 10 EFCERN CN(CCCOc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001603023969 1096420971 /nfs/dbraw/zinc/42/09/71/1096420971.db2.gz TXDNMAGNVAOUQK-UHFFFAOYSA-N 0 0 333.359 2.707 10 10 EFCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccccc2O)cc1C ZINC001268515630 1097113391 /nfs/dbraw/zinc/11/33/91/1097113391.db2.gz XKZIVJKUVNWKCN-AATRIKPKSA-N 0 0 340.423 2.785 10 10 EFCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2ccco2)cc1C ZINC001268609555 1097456779 /nfs/dbraw/zinc/45/67/79/1097456779.db2.gz UJOATMDZSMSWTB-ARJAWSKDSA-N 0 0 328.412 2.601 10 10 EFCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2ccco2)cc1C ZINC001268609557 1097457207 /nfs/dbraw/zinc/45/72/07/1097457207.db2.gz UJOATMDZSMSWTB-ONEGZZNKSA-N 0 0 328.412 2.601 10 10 EFCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(-c2cccnc2)n1 ZINC001606860736 1097463631 /nfs/dbraw/zinc/46/36/31/1097463631.db2.gz RCKHSTOYZYFXRH-UHFFFAOYSA-N 0 0 342.786 2.771 10 10 EFCERN CCOC(=O)CN(C(=O)/C=C\c1cccnc1C)c1ccc(F)cn1 ZINC001126395193 1097507159 /nfs/dbraw/zinc/50/71/59/1097507159.db2.gz GEEWSHPTJNFFHA-TWGQIWQCSA-N 0 0 343.358 2.534 10 10 EFCERN O=C(NCc1ccc(OC(F)F)c(F)c1)c1c(F)ccc(O)c1O ZINC001611369464 1099004873 /nfs/dbraw/zinc/00/48/73/1099004873.db2.gz SRJRGPFVQPECDO-UHFFFAOYSA-N 0 0 345.248 2.907 10 10 EFCERN O=C(NCCc1cccc(C(F)(F)F)n1)c1c(F)ccc(O)c1O ZINC001611369170 1099005485 /nfs/dbraw/zinc/00/54/85/1099005485.db2.gz FIDNOTXTSRMHCY-UHFFFAOYSA-N 0 0 344.264 2.623 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001611430484 1099010137 /nfs/dbraw/zinc/01/01/37/1099010137.db2.gz DHCCUHRVLKFKFG-ABAIWWIYSA-N 0 0 349.814 2.575 10 10 EFCERN C[C@@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(O)c1O ZINC001611667293 1099029649 /nfs/dbraw/zinc/02/96/49/1099029649.db2.gz WTUZKDQTNYDFHG-NSHDSACASA-N 0 0 325.380 2.952 10 10 EFCERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001611764442 1099031499 /nfs/dbraw/zinc/03/14/99/1099031499.db2.gz GYLCAAKXYUNPKB-UHFFFAOYSA-N 0 0 340.427 2.808 10 10 EFCERN CN(Cc1ccccc1O)c1ncnc2c1nnn2Cc1ccccc1 ZINC001612152107 1099046740 /nfs/dbraw/zinc/04/67/40/1099046740.db2.gz RZEVUPDVXDMKCJ-UHFFFAOYSA-N 0 0 346.394 2.612 10 10 EFCERN CNC(=O)c1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC001613056764 1099089264 /nfs/dbraw/zinc/08/92/64/1099089264.db2.gz LDRLKTGDNQNNFS-UHFFFAOYSA-N 0 0 335.747 2.926 10 10 EFCERN C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001616172547 1099168804 /nfs/dbraw/zinc/16/88/04/1099168804.db2.gz BDPIKSBOBUQTKY-SNVBAGLBSA-N 0 0 334.376 2.699 10 10 EFCERN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1C(=O)NC(C)C ZINC001616960447 1099203983 /nfs/dbraw/zinc/20/39/83/1099203983.db2.gz BBKQZSIDQUARLL-UHFFFAOYSA-N 0 0 328.368 2.797 10 10 EFCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cnc(C)s1)CC2 ZINC001617232855 1099227574 /nfs/dbraw/zinc/22/75/74/1099227574.db2.gz UOQVIHKSEBATSE-AATRIKPKSA-N 0 0 328.393 2.841 10 10 EFCERN COC(=O)c1cccc2c1CCN2C(=O)/C=C/c1cncc(F)c1 ZINC001617630278 1099250672 /nfs/dbraw/zinc/25/06/72/1099250672.db2.gz JDYQDBNEOAKZCW-AATRIKPKSA-N 0 0 326.327 2.610 10 10 EFCERN O=C(Nc1ccnn1[C@@H]1CCCOC1)c1ccc(C2=S=CC=C2)o1 ZINC001618477401 1099300664 /nfs/dbraw/zinc/30/06/64/1099300664.db2.gz ILSYQTBDKILPHV-GFCCVEGCSA-N 0 0 343.408 2.706 10 10 EFCERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(Cl)c1 ZINC001618578737 1099305433 /nfs/dbraw/zinc/30/54/33/1099305433.db2.gz RUCKMTNQYHUINY-LLVKDONJSA-N 0 0 335.787 2.877 10 10 EFCERN CC(=O)c1cc(F)cc(CN2NC(=O)C[C@H]2c2ccccc2)c1O ZINC001620692372 1099371235 /nfs/dbraw/zinc/37/12/35/1099371235.db2.gz WJVVSVGUKHIVTF-INIZCTEOSA-N 0 0 328.343 2.712 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2C1 ZINC000843758405 1099413658 /nfs/dbraw/zinc/41/36/58/1099413658.db2.gz NTJCZNBHEVSZKL-CQSZACIVSA-N 0 0 326.444 2.804 10 10 EFCERN CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001622225305 1099490534 /nfs/dbraw/zinc/49/05/34/1099490534.db2.gz PFGVFUSEZRQBKZ-MRXNPFEDSA-N 0 0 335.787 2.798 10 10 EFCERN O=C(c1ccnc(CO)c1)N(Cc1ccco1)Cc1ccccc1O ZINC001622311430 1099501372 /nfs/dbraw/zinc/50/13/72/1099501372.db2.gz ODPSTFAKKDOXME-UHFFFAOYSA-N 0 0 338.363 2.715 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC001623124338 1099561611 /nfs/dbraw/zinc/56/16/11/1099561611.db2.gz KBFYMBLXANHSAN-KFWWJZLASA-N 0 0 342.399 2.927 10 10 EFCERN Nc1ccc(Cl)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000036743219 1099566465 /nfs/dbraw/zinc/56/64/65/1099566465.db2.gz NLUPCIXJEUMDCA-UHFFFAOYSA-N 0 0 340.817 2.728 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC001623213302 1099567173 /nfs/dbraw/zinc/56/71/73/1099567173.db2.gz NDWJZSMHXWNKCA-WBVHZDCISA-N 0 0 341.407 2.924 10 10 EFCERN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001623549431 1099600942 /nfs/dbraw/zinc/60/09/42/1099600942.db2.gz ARQFYSWOGKQRNG-UHFFFAOYSA-N 0 0 326.444 2.855 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OCC2CC2)nc1 ZINC001623573907 1099603655 /nfs/dbraw/zinc/60/36/55/1099603655.db2.gz IMXFMRMPGSIVKL-UHFFFAOYSA-N 0 0 347.411 2.992 10 10 EFCERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001623924554 1099641056 /nfs/dbraw/zinc/64/10/56/1099641056.db2.gz JGIHYBDBTIRRQF-ADLMAVQZSA-N 0 0 333.359 2.672 10 10 EFCERN Cc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000038109198 1099667620 /nfs/dbraw/zinc/66/76/20/1099667620.db2.gz YTCBYDWUXOPRHL-UHFFFAOYSA-N 0 0 332.834 2.631 10 10 EFCERN COC(=O)CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624482173 1099696256 /nfs/dbraw/zinc/69/62/56/1099696256.db2.gz YGDAYFLELONOIV-UHFFFAOYSA-N 0 0 334.376 2.702 10 10 EFCERN COc1cccnc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624626268 1099713669 /nfs/dbraw/zinc/71/36/69/1099713669.db2.gz NSQJWFKLBSYIDN-UHFFFAOYSA-N 0 0 339.439 2.892 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2C1 ZINC000843767041 1099737538 /nfs/dbraw/zinc/73/75/38/1099737538.db2.gz XHVLZVPZHQRAJK-HNNXBMFYSA-N 0 0 338.455 2.996 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC001624897320 1099744136 /nfs/dbraw/zinc/74/41/36/1099744136.db2.gz GUQHMRFDEPCVRX-MRXNPFEDSA-N 0 0 343.379 2.837 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001625024764 1099761625 /nfs/dbraw/zinc/76/16/25/1099761625.db2.gz KAMXOXBVPYMDAI-MRXNPFEDSA-N 0 0 325.364 2.573 10 10 EFCERN Cc1cc(CC(=O)N2NC(=O)C[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001625064606 1099765548 /nfs/dbraw/zinc/76/55/48/1099765548.db2.gz STCYWEKIOQGXMN-GFCCVEGCSA-N 0 0 345.830 2.942 10 10 EFCERN CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1CC ZINC001625377253 1099801658 /nfs/dbraw/zinc/80/16/58/1099801658.db2.gz PFLUJIYUPUDLFR-UHFFFAOYSA-N 0 0 326.444 2.996 10 10 EFCERN Cn1cnnc1-c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001625446535 1099811582 /nfs/dbraw/zinc/81/15/82/1099811582.db2.gz JRLMNMQUJGLHCJ-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC001625638435 1099836915 /nfs/dbraw/zinc/83/69/15/1099836915.db2.gz NOYXMQWKJPGRRU-HXUWFJFHSA-N 0 0 339.391 2.688 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Oc2cccnc2)nc1 ZINC001626480151 1099880348 /nfs/dbraw/zinc/88/03/48/1099880348.db2.gz QZPPQBOWSPVYFP-UHFFFAOYSA-N 0 0 337.335 2.861 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001626723063 1099910672 /nfs/dbraw/zinc/91/06/72/1099910672.db2.gz RQNDGUOWSIWOFM-VWRGOOCTSA-N 0 0 346.471 2.816 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1coc(-c2cccs2)n1 ZINC001626793778 1099919610 /nfs/dbraw/zinc/91/96/10/1099919610.db2.gz HSCGFVSHRGGKTN-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1ccc2[nH]ccc2n1 ZINC001626822189 1099923112 /nfs/dbraw/zinc/92/31/12/1099923112.db2.gz LRVCAZKOQWQWGY-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN CN(C)c1cc(C(=O)NCc2ccc(O)cc2O)c2ccccc2n1 ZINC001626837797 1099923493 /nfs/dbraw/zinc/92/34/93/1099923493.db2.gz FNSUTLKDQWLEEG-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN COc1cccc(C(=O)NCc2ccc(O)cc2O)c1OC(F)F ZINC001626838173 1099924124 /nfs/dbraw/zinc/92/41/24/1099924124.db2.gz PJFOLMRDVUEMMG-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cnc2cnccc2c1 ZINC001627072870 1099953630 /nfs/dbraw/zinc/95/36/30/1099953630.db2.gz GPMQRMFYWJNGTM-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN CN(C)Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001627073849 1099953684 /nfs/dbraw/zinc/95/36/84/1099953684.db2.gz XMPQJACWZHGNEN-UHFFFAOYSA-N 0 0 325.368 2.525 10 10 EFCERN Cc1ccc(F)cc1C(=O)C(=O)NCc1ccc2cccnc2c1O ZINC001627072569 1099954622 /nfs/dbraw/zinc/95/46/22/1099954622.db2.gz BIXFYWVJYJFGIW-UHFFFAOYSA-N 0 0 338.338 2.887 10 10 EFCERN Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001627359015 1099984871 /nfs/dbraw/zinc/98/48/71/1099984871.db2.gz JAEFECSEJLYAKX-UHFFFAOYSA-N 0 0 340.387 2.900 10 10 EFCERN Cc1nc(C)c(CCNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001627587287 1100012424 /nfs/dbraw/zinc/01/24/24/1100012424.db2.gz AEZGVPILAIKPSX-UHFFFAOYSA-N 0 0 331.401 2.895 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cccn(C)c2=O)cc1 ZINC000729512450 1100040693 /nfs/dbraw/zinc/04/06/93/1100040693.db2.gz KNWZWPVOGNBUBV-UHFFFAOYSA-N 0 0 327.428 2.504 10 10 EFCERN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(C(N)=O)c1 ZINC001628029377 1100052652 /nfs/dbraw/zinc/05/26/52/1100052652.db2.gz ZPYGXYYPGZOONT-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC001628139268 1100066821 /nfs/dbraw/zinc/06/68/21/1100066821.db2.gz RTINJRXTVPQPOF-RBSFLKMASA-N 0 0 330.388 2.615 10 10 EFCERN CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001628234474 1100080394 /nfs/dbraw/zinc/08/03/94/1100080394.db2.gz PRTAQJMQPGCEEA-HNNXBMFYSA-N 0 0 348.830 2.713 10 10 EFCERN COC(=O)[C@@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001628258214 1100083618 /nfs/dbraw/zinc/08/36/18/1100083618.db2.gz ZIVTWKJBLXVXHO-AWEZNQCLSA-N 0 0 342.439 2.904 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@](C)(O)c1ccccc1 ZINC001628346224 1100091161 /nfs/dbraw/zinc/09/11/61/1100091161.db2.gz VKGHTLWCFNNSKC-KZULUSFZSA-N 0 0 340.383 2.875 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccn3nccc3n2)cc1F ZINC001628769698 1100132477 /nfs/dbraw/zinc/13/24/77/1100132477.db2.gz GRLJXGUUXHNEEF-UHFFFAOYSA-N 0 0 341.390 2.645 10 10 EFCERN C[C@@H](CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)CO)c1ccccc1 ZINC001628885839 1100145652 /nfs/dbraw/zinc/14/56/52/1100145652.db2.gz OAZOSKFNSFHDFD-GJZGRUSLSA-N 0 0 343.423 2.653 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)c1ccc(Cl)cc1 ZINC001628886360 1100146208 /nfs/dbraw/zinc/14/62/08/1100146208.db2.gz VURPZVBBDAOOAP-CQSZACIVSA-N 0 0 335.787 2.534 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2c(F)cccc2-n2cccn2)c1 ZINC001629740941 1100242413 /nfs/dbraw/zinc/24/24/13/1100242413.db2.gz UHUHQECBAQLQAL-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccnc1 ZINC001630047197 1100270971 /nfs/dbraw/zinc/27/09/71/1100270971.db2.gz PSZROSNEDQICFB-UHFFFAOYSA-N 0 0 325.372 2.952 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1csc(-c2ccco2)n1 ZINC001631063726 1100365456 /nfs/dbraw/zinc/36/54/56/1100365456.db2.gz XZBWPVRXHHWVOY-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001631322922 1100388468 /nfs/dbraw/zinc/38/84/68/1100388468.db2.gz SMYGYLMVJANUHJ-DLBZAZTESA-N 0 0 344.455 2.665 10 10 EFCERN Cc1cc(CCNC(=O)[C@H](O)C2CCC2)c(C)n1-c1ccccc1 ZINC001631356240 1100390426 /nfs/dbraw/zinc/39/04/26/1100390426.db2.gz GCYVUBUGXOXWPZ-LJQANCHMSA-N 0 0 326.440 2.914 10 10 EFCERN CCn1c2ccc(F)cc2nc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001631397215 1100395426 /nfs/dbraw/zinc/39/54/26/1100395426.db2.gz OKHRNFQOTDCNNS-UHFFFAOYSA-N 0 0 329.331 2.788 10 10 EFCERN Cn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(-c2ccccn2)n1 ZINC001631413660 1100397267 /nfs/dbraw/zinc/39/72/67/1100397267.db2.gz JBURNBKNLIAKFV-UHFFFAOYSA-N 0 0 349.354 2.897 10 10 EFCERN O=C(NCCc1ccc(CO)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001631526686 1100407730 /nfs/dbraw/zinc/40/77/30/1100407730.db2.gz GOIFFOKPLTVRHQ-UHFFFAOYSA-N 0 0 343.404 2.777 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2NC(C)=O)c1 ZINC001631542974 1100408255 /nfs/dbraw/zinc/40/82/55/1100408255.db2.gz OIVPZDWMFPXWNQ-JTQLQIEISA-N 0 0 346.358 2.989 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(F)c2N)c1 ZINC001631541862 1100408289 /nfs/dbraw/zinc/40/82/89/1100408289.db2.gz BNCSDJIHXUGHCO-SECBINFHSA-N 0 0 334.347 2.622 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3cc[nH]c(=O)c3s2)c1 ZINC001631541897 1100408815 /nfs/dbraw/zinc/40/88/15/1100408815.db2.gz BVZRETGPDPOSAZ-VIFPVBQESA-N 0 0 344.392 2.795 10 10 EFCERN COC(=O)c1ccc(/C=C\C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC001631541835 1100408832 /nfs/dbraw/zinc/40/88/32/1100408832.db2.gz BAAAGBLMJMKTQW-DHHDDZJSSA-N 0 0 345.351 2.671 10 10 EFCERN COc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2N)c1O ZINC001631543609 1100409795 /nfs/dbraw/zinc/40/97/95/1100409795.db2.gz XIAPPLLOASROCG-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@]2(O)CCCC(C)(C)C2)cc1 ZINC001632048383 1100450205 /nfs/dbraw/zinc/45/02/05/1100450205.db2.gz BRMBLYUVOONWHW-FQEVSTJZSA-N 0 0 348.487 2.921 10 10 EFCERN O=C(CCNC(=O)c1cccs1)NCc1cc(Cl)ccc1O ZINC001632222979 1100460580 /nfs/dbraw/zinc/46/05/80/1100460580.db2.gz ASHHHLSOWALSJD-UHFFFAOYSA-N 0 0 338.816 2.543 10 10 EFCERN CC(C)n1ncc2c1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001632393466 1100470631 /nfs/dbraw/zinc/47/06/31/1100470631.db2.gz RWPHGLFDDDNKGH-AWEZNQCLSA-N 0 0 329.400 2.612 10 10 EFCERN Nc1ccc(Br)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001632708538 1100495153 /nfs/dbraw/zinc/49/51/53/1100495153.db2.gz APJIOBSWNARMLR-UHFFFAOYSA-N 0 0 333.185 2.893 10 10 EFCERN Cn1nc(C(=O)NCc2cccc(O)c2O)cc1-c1ccc(F)cc1 ZINC001633515970 1100546961 /nfs/dbraw/zinc/54/69/61/1100546961.db2.gz YUDQGDCOFFLNTA-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN CC1(C)Cc2cccc(OCC(=O)NCc3cc(O)ccc3O)c2O1 ZINC001633594981 1100553135 /nfs/dbraw/zinc/55/31/35/1100553135.db2.gz CREGGYKGAJSCRN-UHFFFAOYSA-N 0 0 343.379 2.507 10 10 EFCERN COc1ccc(SCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001633595466 1100553139 /nfs/dbraw/zinc/55/31/39/1100553139.db2.gz XKWCUANKNVKHFC-UHFFFAOYSA-N 0 0 333.409 2.905 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3ccc(O)cc3c2O)c(O)c1 ZINC001633927007 1100574787 /nfs/dbraw/zinc/57/47/87/1100574787.db2.gz OBBABAXNJRQRMS-UHFFFAOYSA-N 0 0 339.347 2.895 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001634137662 1100587777 /nfs/dbraw/zinc/58/77/77/1100587777.db2.gz IQTXGOZHXRXJEW-HOCLYGCPSA-N 0 0 340.423 2.750 10 10 EFCERN Cc1ccc(-c2ccnn2C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001634166774 1100588423 /nfs/dbraw/zinc/58/84/23/1100588423.db2.gz ZQMHMTLBGMFPME-UHFFFAOYSA-N 0 0 337.379 2.988 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(C)C ZINC001634220392 1100591151 /nfs/dbraw/zinc/59/11/51/1100591151.db2.gz NDVKKGJMECKWKD-SFHVURJKSA-N 0 0 341.455 2.903 10 10 EFCERN Cc1cc(CC(=O)NC2CN(C(C)C)C2)c(C)n1-c1ccccc1 ZINC001634380963 1100604386 /nfs/dbraw/zinc/60/43/86/1100604386.db2.gz ULHAHPREENRNQU-UHFFFAOYSA-N 0 0 325.456 2.845 10 10 EFCERN Cc1oc(C=O)cc1C(=O)NCc1cccc(Br)c1O ZINC001634724748 1100626290 /nfs/dbraw/zinc/62/62/90/1100626290.db2.gz IJZCFJMVWWCXBP-UHFFFAOYSA-N 0 0 338.157 2.799 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(OC)cc1 ZINC001634938708 1100636583 /nfs/dbraw/zinc/63/65/83/1100636583.db2.gz HIWRPFRYZWCNLJ-UHFFFAOYSA-N 0 0 336.384 2.582 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2O)c(C)c1 ZINC001635042209 1100641058 /nfs/dbraw/zinc/64/10/58/1100641058.db2.gz JRTZDXFPIGHONN-UHFFFAOYSA-N 0 0 344.367 2.818 10 10 EFCERN Cc1cc(CC(=O)O[C@H]2CNOC2)c(C)n1-c1ccc(Cl)cc1 ZINC001635058643 1100641858 /nfs/dbraw/zinc/64/18/58/1100641858.db2.gz ZISMSWQNYVCKFH-INIZCTEOSA-N 0 0 334.803 2.737 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](CO)[C@H]2C)c1 ZINC001635236293 1100649847 /nfs/dbraw/zinc/64/98/47/1100649847.db2.gz PKPNYHJJUAAMJQ-RHSMWYFYSA-N 0 0 340.423 2.750 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](CO)[C@@H]2C)c1 ZINC001635236295 1100649956 /nfs/dbraw/zinc/64/99/56/1100649956.db2.gz PKPNYHJJUAAMJQ-WMLDXEAASA-N 0 0 340.423 2.750 10 10 EFCERN Cn1cc(-c2ccc(C(=O)NCc3c(O)cccc3F)cc2)cn1 ZINC001635366919 1100657633 /nfs/dbraw/zinc/65/76/33/1100657633.db2.gz REFWJPIHFQUSRL-UHFFFAOYSA-N 0 0 325.343 2.862 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccncc1C(F)(F)F ZINC001635387798 1100659059 /nfs/dbraw/zinc/65/90/59/1100659059.db2.gz QGYDYZYKUBKLEX-DUXPYHPUSA-N 0 0 338.285 2.841 10 10 EFCERN CN=[S@@](C)(=O)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001635477662 1100664042 /nfs/dbraw/zinc/66/40/42/1100664042.db2.gz VPSSQIWUXODKTF-FFYIOULGSA-N 0 0 346.408 2.836 10 10 EFCERN Cc1ccc(-c2nn(C)cc2C(=O)N(C)Cc2ccccc2O)o1 ZINC001635658128 1100672703 /nfs/dbraw/zinc/67/27/03/1100672703.db2.gz IHGPSOLJWINTFE-UHFFFAOYSA-N 0 0 325.368 2.966 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccccn3)CC2)cc1 ZINC001635784252 1100679335 /nfs/dbraw/zinc/67/93/35/1100679335.db2.gz JNHZQTQMNZEYCL-HNNXBMFYSA-N 0 0 325.412 2.543 10 10 EFCERN Cc1ncc(Br)c(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC001635793633 1100679902 /nfs/dbraw/zinc/67/99/02/1100679902.db2.gz ANTBIQXXGIUSEA-MRVPVSSYSA-N 0 0 336.189 2.744 10 10 EFCERN COc1ccc(CC(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001635793750 1100679916 /nfs/dbraw/zinc/67/99/16/1100679916.db2.gz GUSXSAVCSJWPCK-LLVKDONJSA-N 0 0 330.340 2.729 10 10 EFCERN C[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1ccccc1O ZINC001635794046 1100680114 /nfs/dbraw/zinc/68/01/14/1100680114.db2.gz UHXUOLFSBMIIBG-CYBMUJFWSA-N 0 0 339.395 2.514 10 10 EFCERN C[C@H](NC(=O)Cn1cc(C=O)c(-c2ccccc2)n1)c1ccccc1O ZINC001635803371 1100680921 /nfs/dbraw/zinc/68/09/21/1100680921.db2.gz CNNSKBNEXDFLEB-AWEZNQCLSA-N 0 0 349.390 2.946 10 10 EFCERN CC(C)NC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001635843508 1100683659 /nfs/dbraw/zinc/68/36/59/1100683659.db2.gz VLDOZBHJDAJIJT-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OCC(F)(F)F)o1 ZINC001635847393 1100683706 /nfs/dbraw/zinc/68/37/06/1100683706.db2.gz NISXZIOILOBAAU-UHFFFAOYSA-N 0 0 331.246 2.562 10 10 EFCERN O=C(Cc1ccc(Br)cc1)NCc1c(O)cccc1O ZINC001635843555 1100683908 /nfs/dbraw/zinc/68/39/08/1100683908.db2.gz WYQUCQAONKKUIB-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN Nc1cc(C(F)(F)F)ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001635958926 1100689515 /nfs/dbraw/zinc/68/95/15/1100689515.db2.gz DDGGPCISQAGENB-UHFFFAOYSA-N 0 0 326.274 2.629 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2ccncn2)ccc1C ZINC001635977087 1100691203 /nfs/dbraw/zinc/69/12/03/1100691203.db2.gz NHBARZMZGOWUKB-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(F)c(F)c2)c1 ZINC001636061166 1100697147 /nfs/dbraw/zinc/69/71/47/1100697147.db2.gz HUBMDDLUCVYAOX-JTQLQIEISA-N 0 0 337.322 2.935 10 10 EFCERN O=C(NCc1ccccc1O)c1nc(Br)c2ccccn21 ZINC001636058356 1100697245 /nfs/dbraw/zinc/69/72/45/1100697245.db2.gz YCXCEWRHFICNNN-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3nsnc32)c1 ZINC001636061270 1100697286 /nfs/dbraw/zinc/69/72/86/1100697286.db2.gz LLSKOKUQGGLCJN-VIFPVBQESA-N 0 0 329.381 2.897 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001636061517 1100697396 /nfs/dbraw/zinc/69/73/96/1100697396.db2.gz PTPDYCRHNGXRLO-JTQLQIEISA-N 0 0 348.330 2.868 10 10 EFCERN CC[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001636057108 1100697522 /nfs/dbraw/zinc/69/75/22/1100697522.db2.gz FARSPCAURXVFTD-MSOLQXFVSA-N 0 0 331.460 2.996 10 10 EFCERN CNc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC001636951067 1100746331 /nfs/dbraw/zinc/74/63/31/1100746331.db2.gz OWFYBLPSXXOZDW-MRXNPFEDSA-N 0 0 341.411 2.650 10 10 EFCERN O=C(COc1ccc(Cl)c(F)c1)NCc1cc(O)ccc1O ZINC001637125655 1100758789 /nfs/dbraw/zinc/75/87/89/1100758789.db2.gz AOJYXJWBYREGDJ-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccccc1Cn1ccnn1 ZINC001637226948 1100766545 /nfs/dbraw/zinc/76/65/45/1100766545.db2.gz GJUWNXDQXRTRIE-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001637247647 1100767366 /nfs/dbraw/zinc/76/73/66/1100767366.db2.gz RJBINBZIIHNYAH-VIKVFOODSA-N 0 0 337.803 2.593 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(=O)cc[nH]1 ZINC001637453698 1100784089 /nfs/dbraw/zinc/78/40/89/1100784089.db2.gz DNQGLDDEIMNIRR-UHFFFAOYSA-N 0 0 327.409 2.774 10 10 EFCERN Cc1cc(CNC(=O)NCC2(CO)CC2)c(C)n1-c1cccc(C)c1 ZINC001637577645 1100791661 /nfs/dbraw/zinc/79/16/61/1100791661.db2.gz GCPNFPLIHUJIHW-UHFFFAOYSA-N 0 0 341.455 2.974 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)co1 ZINC001638348527 1100849940 /nfs/dbraw/zinc/84/99/40/1100849940.db2.gz TWCUVMZXFOARJO-QMMMGPOBSA-N 0 0 340.173 2.814 10 10 EFCERN CCOc1cc(CNC(=O)c2c(F)ccc(O)c2O)ccc1OC ZINC001638339415 1100850038 /nfs/dbraw/zinc/85/00/38/1100850038.db2.gz YMSGNNCAZZXQBY-UHFFFAOYSA-N 0 0 335.331 2.574 10 10 EFCERN O=C(C[C@H]1CSc2ccccc2O1)NCc1ccc(O)cc1O ZINC001638356554 1100851066 /nfs/dbraw/zinc/85/10/66/1100851066.db2.gz KRNPHJLCMKYUJT-ZDUSSCGKSA-N 0 0 331.393 2.657 10 10 EFCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(O)cc1O ZINC001638352226 1100851519 /nfs/dbraw/zinc/85/15/19/1100851519.db2.gz MUNNXYKBMWAKGO-GFCCVEGCSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(NCCc1ccc(F)c(F)c1F)c1c(F)ccc(O)c1O ZINC001638515603 1100865272 /nfs/dbraw/zinc/86/52/72/1100865272.db2.gz UXUOEVONPLOVJL-UHFFFAOYSA-N 0 0 329.249 2.627 10 10 EFCERN Cc1ccc2nc(C(=O)NCc3ccc4cccnc4c3O)cn2c1 ZINC001638573343 1100871047 /nfs/dbraw/zinc/87/10/47/1100871047.db2.gz SMYBCOHSOJWOIF-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN COc1ccc(CC(C)(C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001638818421 1100887671 /nfs/dbraw/zinc/88/76/71/1100887671.db2.gz XRROQCXZWMIPKR-UHFFFAOYSA-N 0 0 329.396 2.786 10 10 EFCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1c(O)cccc1F ZINC001638864342 1100892970 /nfs/dbraw/zinc/89/29/70/1100892970.db2.gz WVPUXYZELCSOGB-GFCCVEGCSA-N 0 0 339.370 2.970 10 10 EFCERN COc1ccc(/C=C\C(=O)NCc2c(O)cccc2F)cc1OC ZINC001638866629 1100893074 /nfs/dbraw/zinc/89/30/74/1100893074.db2.gz HHBSEUYAASATFU-CLFYSBASSA-N 0 0 331.343 2.878 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001638866923 1100893398 /nfs/dbraw/zinc/89/33/98/1100893398.db2.gz UFAYEBNJMVEKFC-UHFFFAOYSA-N 0 0 341.342 2.852 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H](O)c1ccccc1C(F)(F)F ZINC001638866882 1100893898 /nfs/dbraw/zinc/89/38/98/1100893898.db2.gz QYHYAZNZWDSDRY-CQSZACIVSA-N 0 0 343.276 2.900 10 10 EFCERN COC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001639027616 1100905883 /nfs/dbraw/zinc/90/58/83/1100905883.db2.gz SZRNIOLRNUSYSU-GOSISDBHSA-N 0 0 342.439 2.890 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)c1ccn(C)n1 ZINC001639113556 1100914638 /nfs/dbraw/zinc/91/46/38/1100914638.db2.gz YNQVXWNLJKJRLC-UHFFFAOYSA-N 0 0 336.395 2.917 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC001639124324 1100915087 /nfs/dbraw/zinc/91/50/87/1100915087.db2.gz ZJBZUKFCTSCGGZ-LBPRGKRZSA-N 0 0 328.332 2.676 10 10 EFCERN CCOC(=O)c1nccc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001639226735 1100927528 /nfs/dbraw/zinc/92/75/28/1100927528.db2.gz DBPJGPQEIGNKNJ-UHFFFAOYSA-N 0 0 340.427 2.890 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001639292517 1100934902 /nfs/dbraw/zinc/93/49/02/1100934902.db2.gz GJCDDMYOTORLEH-ZJUUUORDSA-N 0 0 337.297 2.935 10 10 EFCERN O=C(/C=C/COC1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001639387744 1100942974 /nfs/dbraw/zinc/94/29/74/1100942974.db2.gz QBEVYRKHFHGYEE-ZZXKWVIFSA-N 0 0 341.407 2.913 10 10 EFCERN O=C(CNC(=O)CC1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001639384440 1100943378 /nfs/dbraw/zinc/94/33/78/1100943378.db2.gz KLGNISHIRRUMMK-UHFFFAOYSA-N 0 0 340.423 2.858 10 10 EFCERN C[Si](C)(C)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 ZINC001639444570 1100949306 /nfs/dbraw/zinc/94/93/06/1100949306.db2.gz PWFFDSPQKCOHBG-UHFFFAOYSA-N 0 0 329.472 2.502 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001639444623 1100949458 /nfs/dbraw/zinc/94/94/58/1100949458.db2.gz SGDOOLNFGXXAHY-AWEZNQCLSA-N 0 0 342.178 2.754 10 10 EFCERN CC(C)(C(=O)NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1F ZINC001639444656 1100949493 /nfs/dbraw/zinc/94/94/93/1100949493.db2.gz UQMNYKOOOMVODH-UHFFFAOYSA-N 0 0 348.330 2.739 10 10 EFCERN COCc1c2ccccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001639441427 1100949604 /nfs/dbraw/zinc/94/96/04/1100949604.db2.gz UINFLEWVQRQRRU-UHFFFAOYSA-N 0 0 327.336 2.920 10 10 EFCERN C[C@@](O)(CC(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001639621877 1100967223 /nfs/dbraw/zinc/96/72/23/1100967223.db2.gz XXSDBLWWFOXGTG-HXUWFJFHSA-N 0 0 336.391 2.854 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2oc(=O)[nH]c21 ZINC001639624890 1100967523 /nfs/dbraw/zinc/96/75/23/1100967523.db2.gz OCQCZXJBXNULIM-UHFFFAOYSA-N 0 0 335.319 2.717 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCCC1=O ZINC001639904021 1100995083 /nfs/dbraw/zinc/99/50/83/1100995083.db2.gz LXXXIBPFSFCTJS-UHFFFAOYSA-N 0 0 339.439 2.755 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(OC)nc1 ZINC001640259759 1101030722 /nfs/dbraw/zinc/03/07/22/1101030722.db2.gz CILUVIQAXATVSO-UHFFFAOYSA-N 0 0 335.400 2.531 10 10 EFCERN O=C(OC[C@H]1CCCCN1C(=O)C1=CC(=O)CS1)N1CCCC1 ZINC001640327135 1101034596 /nfs/dbraw/zinc/03/45/96/1101034596.db2.gz ZPSBAUOPTGXYKJ-GFCCVEGCSA-N 0 0 338.429 2.681 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCOC1(C)C ZINC000840381503 1101049535 /nfs/dbraw/zinc/04/95/35/1101049535.db2.gz FYSBTHOJWWMFSB-WMLDXEAASA-N 0 0 333.476 2.859 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCOC1(C)C ZINC000840381501 1101049839 /nfs/dbraw/zinc/04/98/39/1101049839.db2.gz FYSBTHOJWWMFSB-PBHICJAKSA-N 0 0 333.476 2.859 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCn2ccnc21 ZINC000840382538 1101051488 /nfs/dbraw/zinc/05/14/88/1101051488.db2.gz RNHZCWPOYTZLFC-PBHICJAKSA-N 0 0 341.459 2.633 10 10 EFCERN C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001640604208 1101063142 /nfs/dbraw/zinc/06/31/42/1101063142.db2.gz MZGIUARWZVFFCE-ZDUSSCGKSA-N 0 0 326.396 2.507 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CS1 ZINC000840414828 1101067165 /nfs/dbraw/zinc/06/71/65/1101067165.db2.gz UFUFVKZKYIZOKF-KCJUWKMLSA-N 0 0 345.262 2.848 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(O)c2ncccc12 ZINC001640682426 1101071695 /nfs/dbraw/zinc/07/16/95/1101071695.db2.gz VUBSSAFROSNJHX-YWEYNIOJSA-N 0 0 336.347 2.681 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001640796412 1101079555 /nfs/dbraw/zinc/07/95/55/1101079555.db2.gz CXIVZMXNWIJCFD-QGZVFWFLSA-N 0 0 346.333 2.788 10 10 EFCERN Cc1nc(C(=O)NCc2cc(C)ccc2O)nn1-c1ccc(F)cc1 ZINC001640796535 1101079576 /nfs/dbraw/zinc/07/95/76/1101079576.db2.gz IWXHVZBMKJOXBW-UHFFFAOYSA-N 0 0 340.358 2.659 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC001640919929 1101087859 /nfs/dbraw/zinc/08/78/59/1101087859.db2.gz FRVORSGDQHQEBW-UHFFFAOYSA-N 0 0 330.771 2.860 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)C2CC(O)C2)CCCC1 ZINC001641453615 1101137641 /nfs/dbraw/zinc/13/76/41/1101137641.db2.gz VKQSVEHOZYBUGG-UHFFFAOYSA-N 0 0 342.439 2.510 10 10 EFCERN O=C(NCCOc1ccc(Cl)c(F)c1)c1c(F)ccc(O)c1O ZINC001641563626 1101146116 /nfs/dbraw/zinc/14/61/16/1101146116.db2.gz JMCBJGFSFXHTAA-UHFFFAOYSA-N 0 0 343.713 2.838 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC001641728613 1101160307 /nfs/dbraw/zinc/16/03/07/1101160307.db2.gz DFLSHXKJVUGCFV-UHFFFAOYSA-N 0 0 330.340 2.694 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC001641728642 1101160329 /nfs/dbraw/zinc/16/03/29/1101160329.db2.gz DVQGFVWCSVDFFE-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC001641733202 1101161100 /nfs/dbraw/zinc/16/11/00/1101161100.db2.gz LXUIVLCGFDAPKZ-UHFFFAOYSA-N 0 0 339.370 2.884 10 10 EFCERN Cc1ncc(I)c(NCc2ccccc2O)n1 ZINC001642165262 1101194118 /nfs/dbraw/zinc/19/41/18/1101194118.db2.gz BUCRCONPOVXIAV-UHFFFAOYSA-N 0 0 341.152 2.707 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1O ZINC001642885191 1101252440 /nfs/dbraw/zinc/25/24/40/1101252440.db2.gz BUICHDMXSJLPOT-AWEZNQCLSA-N 0 0 326.352 2.610 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001643101173 1101269613 /nfs/dbraw/zinc/26/96/13/1101269613.db2.gz XTLLRXCDZZGRMC-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1Cc2cccc(O)c2C1 ZINC001643169593 1101276988 /nfs/dbraw/zinc/27/69/88/1101276988.db2.gz SLIWBNJCRVKXBC-UHFFFAOYSA-N 0 0 340.770 2.782 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(F)c1 ZINC001643242019 1101283450 /nfs/dbraw/zinc/28/34/50/1101283450.db2.gz CEQQNTROZUMYII-UHFFFAOYSA-N 0 0 331.343 2.737 10 10 EFCERN CSc1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001643284372 1101287560 /nfs/dbraw/zinc/28/75/60/1101287560.db2.gz BRWMTFFUMJCGIW-UHFFFAOYSA-N 0 0 325.393 2.987 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2Cc3c[nH]nc3C[C@@H](C)C2)cc1OC ZINC001651418750 1101326917 /nfs/dbraw/zinc/32/69/17/1101326917.db2.gz UDNMPOWLMQWVNB-SNVBAGLBSA-N 0 0 332.360 2.534 10 10 EFCERN COC(=O)Cc1ccc(NCc2cc(C)ccc2O)c([N+](=O)[O-])c1 ZINC001652059735 1101428224 /nfs/dbraw/zinc/42/82/24/1101428224.db2.gz MIAUAOTZBVKEDE-UHFFFAOYSA-N 0 0 330.340 2.936 10 10 EFCERN CC(C)n1c(=O)[nH]c2ccc(C(=O)NCc3c(O)cccc3O)cc21 ZINC001652625731 1101521507 /nfs/dbraw/zinc/52/15/07/1101521507.db2.gz KDZPUWGESVZBAO-UHFFFAOYSA-N 0 0 341.367 2.664 10 10 EFCERN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3c(O)cccc3O)cc2C1 ZINC001652628629 1101523695 /nfs/dbraw/zinc/52/36/95/1101523695.db2.gz HUJMYOUMQSYTDB-LLVKDONJSA-N 0 0 342.395 2.643 10 10 EFCERN COc1ccccc1[C@H](O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652708414 1101532990 /nfs/dbraw/zinc/53/29/90/1101532990.db2.gz CZVZCNCJXOYIJQ-IBGZPJMESA-N 0 0 337.375 2.904 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCCOc1cccc(F)c1 ZINC001653392570 1101617384 /nfs/dbraw/zinc/61/73/84/1101617384.db2.gz IAMLUKQCRVYQDC-VURMDHGXSA-N 0 0 331.343 2.835 10 10 EFCERN Cc1noc([C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)C)n1 ZINC001654027238 1101672321 /nfs/dbraw/zinc/67/23/21/1101672321.db2.gz NAWYTOGWGVYUDJ-LBPRGKRZSA-N 0 0 330.348 2.668 10 10 EFCERN COc1ccc(N(C)CCN(C)CC(=O)OCc2ccccc2)cc1 ZINC001654113761 1101684474 /nfs/dbraw/zinc/68/44/74/1101684474.db2.gz ADQYMCGGFBFCBZ-UHFFFAOYSA-N 0 0 342.439 2.807 10 10 EFCERN O=C(NCc1ccccc1Br)c1c(F)ccc(O)c1O ZINC001654200316 1101691832 /nfs/dbraw/zinc/69/18/32/1101691832.db2.gz AOOPZRVIFJHGCJ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CO[C@H](C)c1noc(CN(C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092273 1101739432 /nfs/dbraw/zinc/73/94/32/1101739432.db2.gz CNVOQTDCPCOOFH-LLVKDONJSA-N 0 0 328.372 2.663 10 10 EFCERN Cc1nc2ccccc2n1CCC(=O)NCc1c(O)cccc1F ZINC001654829039 1101760461 /nfs/dbraw/zinc/76/04/61/1101760461.db2.gz QAEASBGHUPOLNS-UHFFFAOYSA-N 0 0 327.359 2.896 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCn1cncn1 ZINC001655000528 1101774514 /nfs/dbraw/zinc/77/45/14/1101774514.db2.gz IQTJZKTYZYXURM-UHFFFAOYSA-N 0 0 337.339 2.529 10 10 EFCERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827981869 1101822693 /nfs/dbraw/zinc/82/26/93/1101822693.db2.gz FQMAMXYWVHTQKZ-SCLBCKFNSA-N 0 0 338.407 2.543 10 10 EFCERN Cn1nncc1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001655534670 1101841704 /nfs/dbraw/zinc/84/17/04/1101841704.db2.gz RHGHVCVZKZPMHW-UHFFFAOYSA-N 0 0 337.339 2.566 10 10 EFCERN NC(=O)c1cnc(NCc2ccc3cccnc3c2O)c(Cl)c1 ZINC001655585849 1101853684 /nfs/dbraw/zinc/85/36/84/1101853684.db2.gz SKYZJXXHMNONLE-UHFFFAOYSA-N 0 0 328.759 2.700 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000588407814 1101983207 /nfs/dbraw/zinc/98/32/07/1101983207.db2.gz YVIJNIOFUQEEDT-OUMXJLHTSA-N 0 0 331.393 2.773 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC001125491841 1101985260 /nfs/dbraw/zinc/98/52/60/1101985260.db2.gz HDZQVYRFMYWLPE-QBFSEMIESA-N 0 0 330.409 2.551 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC001125491840 1101985530 /nfs/dbraw/zinc/98/55/30/1101985530.db2.gz HDZQVYRFMYWLPE-ACCUITESSA-N 0 0 330.409 2.551 10 10 EFCERN COc1cc(Br)ccc1C=C1SC(=S)NC1=O ZINC000588419666 1102191641 /nfs/dbraw/zinc/19/16/41/1102191641.db2.gz GNFMYGSUIMKFFD-RUDMXATFSA-N 0 0 330.228 2.947 10 10 EFCERN COC(=O)c1cc(OCC(=O)N[C@H]2CCCC[C@H]2C)ccc1N(C)C ZINC001656825979 1102213527 /nfs/dbraw/zinc/21/35/27/1102213527.db2.gz KEBVFLTUTJWRAF-CJNGLKHVSA-N 0 0 348.443 2.613 10 10 EFCERN COC(=O)c1cc(OCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1N(C)C ZINC001656825978 1102213903 /nfs/dbraw/zinc/21/39/03/1102213903.db2.gz KEBVFLTUTJWRAF-BBRMVZONSA-N 0 0 348.443 2.613 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC001167290982 1102321221 /nfs/dbraw/zinc/32/12/21/1102321221.db2.gz OQKQLIQSWKFYJS-UHFFFAOYSA-N 0 0 337.379 2.598 10 10 EFCERN C[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1O ZINC001648892215 1102556735 /nfs/dbraw/zinc/55/67/35/1102556735.db2.gz QUYCBBIYIOMAOY-LBPRGKRZSA-N 0 0 338.363 2.537 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCN(CC(C)(F)F)CC2)c1O ZINC001660337598 1102695657 /nfs/dbraw/zinc/69/56/57/1102695657.db2.gz BKSWSHOOPWWTRV-UHFFFAOYSA-N 0 0 330.350 2.507 10 10 EFCERN COC(=O)[C@H](C)C1=S=C(c2ccc(N=S(C)(C)=O)cc2)C=C1 ZINC000906209251 1104008955 /nfs/dbraw/zinc/00/89/55/1104008955.db2.gz RUKBTMPGYHIDPY-LLVKDONJSA-N 0 0 337.466 2.851 10 10 EFCERN CCCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000897394939 1104040114 /nfs/dbraw/zinc/04/01/14/1104040114.db2.gz BFXLMSBWMCFZEN-JTQLQIEISA-N 0 0 337.397 2.774 10 10 EFCERN Nc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)cnn1C1CC1 ZINC000906432527 1104188743 /nfs/dbraw/zinc/18/87/43/1104188743.db2.gz FJNOUALFBRBVTG-UHFFFAOYSA-N 0 0 339.443 2.721 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C2CC2)c1N ZINC000906428804 1104208803 /nfs/dbraw/zinc/20/88/03/1104208803.db2.gz VYAWASFWQAGQCN-UHFFFAOYSA-N 0 0 327.432 2.529 10 10 EFCERN Cc1nc2ccc(Cl)cn2c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001168404432 1104321092 /nfs/dbraw/zinc/32/10/92/1104321092.db2.gz LRDQXRFFAUAXDQ-UHFFFAOYSA-N 0 0 331.759 2.889 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCCCc3ccccn3)ccc21 ZINC000179191134 1104987701 /nfs/dbraw/zinc/98/77/01/1104987701.db2.gz GJNSMDAKDRAHQC-UHFFFAOYSA-N 0 0 338.455 2.896 10 10 EFCERN Cc1noc(-c2ccc(CNC(=O)NCc3ccccc3O)cc2)n1 ZINC001671443752 1105637557 /nfs/dbraw/zinc/63/75/57/1105637557.db2.gz DRDFJXBGEWUJSY-UHFFFAOYSA-N 0 0 338.367 2.750 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000841862313 1105702873 /nfs/dbraw/zinc/70/28/73/1105702873.db2.gz JUUKDGOLRSWTAP-MRXNPFEDSA-N 0 0 349.500 2.555 10 10 EFCERN CC1(C)CO[C@H](CC(=O)NCc2cccc(Br)c2O)C1 ZINC000897576459 1105766929 /nfs/dbraw/zinc/76/69/29/1105766929.db2.gz IVUPABSDYPQCAG-LLVKDONJSA-N 0 0 342.233 2.976 10 10 EFCERN Cc1noc([C@@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897754639 1106072910 /nfs/dbraw/zinc/07/29/10/1106072910.db2.gz WJXLLXNHYUBZNC-JTQLQIEISA-N 0 0 345.380 2.981 10 10 EFCERN Cc1ccc(-c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)nn1 ZINC001142533819 1106239735 /nfs/dbraw/zinc/23/97/35/1106239735.db2.gz RWCNKUWKJFZCEQ-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN c1cc(NCc2ccc(N3CCOCC3)cc2)n([C@@H]2CCCOC2)n1 ZINC000898098365 1106244026 /nfs/dbraw/zinc/24/40/26/1106244026.db2.gz YVZKIUZMTROROM-GOSISDBHSA-N 0 0 342.443 2.683 10 10 EFCERN c1cc(NCc2ccc(N3CCOCC3)cc2)n([C@H]2CCCOC2)n1 ZINC000898098367 1106244737 /nfs/dbraw/zinc/24/47/37/1106244737.db2.gz YVZKIUZMTROROM-SFHVURJKSA-N 0 0 342.443 2.683 10 10 EFCERN COc1ccc(N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000929153313 1106296102 /nfs/dbraw/zinc/29/61/02/1106296102.db2.gz YBXPXNWWNLGGJK-JKSUJKDBSA-N 0 0 344.377 2.927 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](C)C3)CC2)c(OC)c1 ZINC001676077893 1106481440 /nfs/dbraw/zinc/48/14/40/1106481440.db2.gz HTKMYXSLZRMVHT-LSDHHAIUSA-N 0 0 347.459 2.724 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001676923454 1106626646 /nfs/dbraw/zinc/62/66/46/1106626646.db2.gz MGUWJXQSUMNQEA-NEPJUHHUSA-N 0 0 340.420 2.549 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001676923457 1106626675 /nfs/dbraw/zinc/62/66/75/1106626675.db2.gz MGUWJXQSUMNQEA-VXGBXAGGSA-N 0 0 340.420 2.549 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001676923456 1106626853 /nfs/dbraw/zinc/62/68/53/1106626853.db2.gz MGUWJXQSUMNQEA-RYUDHWBXSA-N 0 0 340.420 2.549 10 10 EFCERN O=C1N=C(N2CCCCC2)S/C1=C/c1cc2ccccc2[nH]c1=O ZINC000084594840 1107457999 /nfs/dbraw/zinc/45/79/99/1107457999.db2.gz WAYJYWCPKXZYOH-RVDMUPIBSA-N 0 0 339.420 2.984 10 10 EFCERN COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N(C)C)CC3)c2c1 ZINC000042912770 1107949793 /nfs/dbraw/zinc/94/97/93/1107949793.db2.gz RWAUSAXSWZFUFV-UHFFFAOYSA-N 0 0 342.439 2.854 10 10 EFCERN COc1ccc(CNC(=O)NCc2cc(F)cnc2Cl)c(O)c1 ZINC001681417554 1108254462 /nfs/dbraw/zinc/25/44/62/1108254462.db2.gz XOPAEXWUTXFSNC-UHFFFAOYSA-N 0 0 339.754 2.588 10 10 EFCERN CCO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)CN(C)C ZINC000926958597 1108268661 /nfs/dbraw/zinc/26/86/61/1108268661.db2.gz GYVMDHIENLCPAQ-WCQYABFASA-N 0 0 345.281 2.772 10 10 EFCERN CCO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)CN(C)C ZINC000926958596 1108268692 /nfs/dbraw/zinc/26/86/92/1108268692.db2.gz GYVMDHIENLCPAQ-DGCLKSJQSA-N 0 0 345.281 2.772 10 10 EFCERN CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001681527199 1108319026 /nfs/dbraw/zinc/31/90/26/1108319026.db2.gz QLGSQDBLDXWJOO-RYUDHWBXSA-N 0 0 347.419 2.662 10 10 EFCERN CC(C)OCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001681646450 1108375872 /nfs/dbraw/zinc/37/58/72/1108375872.db2.gz HSRXXZGJCBZCRE-NWDGAFQWSA-N 0 0 348.403 2.822 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC001682627233 1108624637 /nfs/dbraw/zinc/62/46/37/1108624637.db2.gz AKUJMBVHIMFCGG-RDJZCZTQSA-N 0 0 327.384 2.507 10 10 EFCERN CC(C)OCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)no1 ZINC001682832584 1108650030 /nfs/dbraw/zinc/65/00/30/1108650030.db2.gz HSRXXZGJCBZCRE-VXGBXAGGSA-N 0 0 348.403 2.822 10 10 EFCERN C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000927131726 1108947723 /nfs/dbraw/zinc/94/77/23/1108947723.db2.gz QMTAMWYKFCSEFG-ZANVPECISA-N 0 0 329.322 2.529 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cncc(F)c3Cl)C2)cc1 ZINC000898580372 1109020388 /nfs/dbraw/zinc/02/03/88/1109020388.db2.gz JCDKDCRZCBMUFC-NSHDSACASA-N 0 0 349.793 2.891 10 10 EFCERN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1O ZINC000899156030 1109227435 /nfs/dbraw/zinc/22/74/35/1109227435.db2.gz LIVCNKUJFUMPPP-JQAFLVLXSA-N 0 0 347.436 2.934 10 10 EFCERN O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899183153 1109234025 /nfs/dbraw/zinc/23/40/25/1109234025.db2.gz AJZKULUWBVTBLI-NWDGAFQWSA-N 0 0 333.409 2.857 10 10 EFCERN CCOC1CC2(C[C@@H]2NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899201931 1109244937 /nfs/dbraw/zinc/24/49/37/1109244937.db2.gz STCIBIWOHXONPC-ZENMZRJKSA-N 0 0 333.409 3.000 10 10 EFCERN Cc1csc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 ZINC000899543967 1109380547 /nfs/dbraw/zinc/38/05/47/1109380547.db2.gz GAUKELYQABQXQY-LBPRGKRZSA-N 0 0 332.425 2.958 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OCC1CC1 ZINC000920387342 1112339604 /nfs/dbraw/zinc/33/96/04/1112339604.db2.gz LJZXGEJNSDJNQP-WJDWOHSUSA-N 0 0 344.436 2.778 10 10 EFCERN CC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000185043434 1119689651 /nfs/dbraw/zinc/68/96/51/1119689651.db2.gz SSAUIQPWCPGDSQ-INIZCTEOSA-N 0 0 346.500 2.908 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171448672 529781201 /nfs/dbraw/zinc/78/12/01/529781201.db2.gz WRVLKAFGDAFJQC-KRWDZBQOSA-N 0 0 327.432 2.533 10 10 EFCERN COc1ccc(N2CCC(N(C)C(=O)c3cccnc3)CC2)cc1 ZINC000069379720 215394484 /nfs/dbraw/zinc/39/44/84/215394484.db2.gz MZJNLDOOFJCROQ-UHFFFAOYSA-N 0 0 325.412 2.831 10 10 EFCERN COc1ccc(C(=O)[C@@H](C)Oc2ccc(N)cc2)c(OC)c1OC ZINC000040353958 213292187 /nfs/dbraw/zinc/29/21/87/213292187.db2.gz XRTRFHABOXENPN-LLVKDONJSA-N 0 0 331.368 2.945 10 10 EFCERN COc1ccc(C(=O)[C@H](C)Oc2ccc(N)cc2)c(OC)c1OC ZINC000040353956 213292261 /nfs/dbraw/zinc/29/22/61/213292261.db2.gz XRTRFHABOXENPN-NSHDSACASA-N 0 0 331.368 2.945 10 10 EFCERN CCN(C)c1ccc(CNC(=O)c2ccc(NC(N)=O)cc2)cc1F ZINC000069651990 215513112 /nfs/dbraw/zinc/51/31/12/215513112.db2.gz NJIPPUYMXVTNDF-UHFFFAOYSA-N 0 0 344.390 2.702 10 10 EFCERN C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191203844 299273240 /nfs/dbraw/zinc/27/32/40/299273240.db2.gz OXJKQVVDMHFHPT-NSHDSACASA-N 0 0 334.370 2.780 10 10 EFCERN Cc1noc(C)c1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071888794 215926604 /nfs/dbraw/zinc/92/66/04/215926604.db2.gz LBGLZPWFLQIDRL-VMPITWQZSA-N 0 0 327.384 2.780 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000172631670 239174010 /nfs/dbraw/zinc/17/40/10/239174010.db2.gz FNVKEFQBDFQOLU-WOJBJXKFSA-N 0 0 349.434 2.520 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1cccc(F)c1 ZINC000177439878 239373854 /nfs/dbraw/zinc/37/38/54/239373854.db2.gz XVAWWJWJMVMYPL-OAHLLOKOSA-N 0 0 337.416 2.502 10 10 EFCERN COC(=O)C1=CN(c2cccc(C)c2)c2ccccc2S1(=O)=O ZINC000064979125 283745258 /nfs/dbraw/zinc/74/52/58/283745258.db2.gz FPADJKBNLJLVBJ-UHFFFAOYSA-N 0 0 329.377 2.935 10 10 EFCERN CCOc1cccc(CN2CCO[C@H](c3cnn(CC)c3)C2)c1O ZINC000191712565 240001885 /nfs/dbraw/zinc/00/18/85/240001885.db2.gz RWIXHFVUYNIVRD-KRWDZBQOSA-N 0 0 331.416 2.581 10 10 EFCERN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cocn1 ZINC000192288254 240038052 /nfs/dbraw/zinc/03/80/52/240038052.db2.gz LNKCGOXKDVFUQJ-UHFFFAOYSA-N 0 0 341.333 2.820 10 10 EFCERN Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000195308751 240216971 /nfs/dbraw/zinc/21/69/71/240216971.db2.gz KJSGDWZDFGOCJT-UHFFFAOYSA-N 0 0 341.386 2.899 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000246609058 240270291 /nfs/dbraw/zinc/27/02/91/240270291.db2.gz BMSSAKSBASRFTQ-RCCFBDPRSA-N 0 0 331.460 2.852 10 10 EFCERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863250 240274479 /nfs/dbraw/zinc/27/44/79/240274479.db2.gz QUCICMNQVOKIJG-DJIMGWMZSA-N 0 0 337.391 2.502 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000248399193 240290134 /nfs/dbraw/zinc/29/01/34/240290134.db2.gz OKWXPALIXNAYCU-SEDUGSJDSA-N 0 0 327.380 2.710 10 10 EFCERN C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000248499561 240291427 /nfs/dbraw/zinc/29/14/27/240291427.db2.gz MUUUWRVNRUJFJM-BMGDILEWSA-N 0 0 344.430 2.817 10 10 EFCERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000263920932 240391657 /nfs/dbraw/zinc/39/16/57/240391657.db2.gz CQAZAGTUXDXCJQ-BRXULGCHSA-N 0 0 335.423 2.647 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ccccc2O)C1 ZINC000267518226 240525314 /nfs/dbraw/zinc/52/53/14/240525314.db2.gz LGKQETZKQBZCSL-SFHVURJKSA-N 0 0 334.416 2.656 10 10 EFCERN Cc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000269699458 240575832 /nfs/dbraw/zinc/57/58/32/240575832.db2.gz INQHWLFRELAMIP-UHFFFAOYSA-N 0 0 331.441 2.527 10 10 EFCERN C[C@H]1COCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277860175 240792983 /nfs/dbraw/zinc/79/29/83/240792983.db2.gz ZGQMKRGSNVOJAK-KBXCAEBGSA-N 0 0 331.460 2.852 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000275921809 240761937 /nfs/dbraw/zinc/76/19/37/240761937.db2.gz QBZVASWIHJTHAW-XXPUEXPNSA-N 0 0 334.372 2.521 10 10 EFCERN CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(OC)c2O)no1 ZINC000290939273 241024545 /nfs/dbraw/zinc/02/45/45/241024545.db2.gz PSHHWBWKZXTIBN-SECBINFHSA-N 0 0 341.795 2.825 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000294106223 241034915 /nfs/dbraw/zinc/03/49/15/241034915.db2.gz FMWTXNAREFJGRS-UHFFFAOYSA-N 0 0 338.814 2.835 10 10 EFCERN C[C@H]1CN(c2ccc(CNC(=O)N(C)CCF)cc2F)C[C@H](C)O1 ZINC000297281145 241117159 /nfs/dbraw/zinc/11/71/59/241117159.db2.gz GNSWOALICDBTKH-STQMWFEESA-N 0 0 341.402 2.550 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000294481195 241046560 /nfs/dbraw/zinc/04/65/60/241046560.db2.gz ANZHGMZQZKWDCI-UHFFFAOYSA-N 0 0 327.812 2.819 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000301893339 241190252 /nfs/dbraw/zinc/19/02/52/241190252.db2.gz MSALFRWORXCNFQ-LOWQCSRCSA-N 0 0 334.372 2.521 10 10 EFCERN CN(CCc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301671476 241190822 /nfs/dbraw/zinc/19/08/22/241190822.db2.gz FOYGKYRPOHFSNV-UHFFFAOYSA-N 0 0 345.330 2.744 10 10 EFCERN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000297537990 241124391 /nfs/dbraw/zinc/12/43/91/241124391.db2.gz ZTQOQYBZMBBVTG-BYNSBNAKSA-N 0 0 349.450 2.989 10 10 EFCERN O=c1c(N2CC=C(c3c[nH]c4ncccc34)CC2)nccn1C(F)F ZINC000360880330 242212868 /nfs/dbraw/zinc/21/28/68/242212868.db2.gz UOZGTDVZKCCFQN-UHFFFAOYSA-N 0 0 343.337 2.808 10 10 EFCERN COc1cc(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1OC ZINC000365681711 242330429 /nfs/dbraw/zinc/33/04/29/242330429.db2.gz UEJBLXBXOYGRLB-UHFFFAOYSA-N 0 0 349.814 2.766 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000372968059 242460834 /nfs/dbraw/zinc/46/08/34/242460834.db2.gz QPQWZXLGMGZYND-HWKANZROSA-N 0 0 332.356 2.540 10 10 EFCERN O=C(CSc1ccccc1)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000021024501 212200568 /nfs/dbraw/zinc/20/05/68/212200568.db2.gz IEHLLAOWDQUSNB-UHFFFAOYSA-N 0 0 325.393 2.645 10 10 EFCERN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCOCC2)cc1 ZINC000020603750 212152885 /nfs/dbraw/zinc/15/28/85/212152885.db2.gz HVPFJAFBEQSLSA-GOSISDBHSA-N 0 0 347.503 2.678 10 10 EFCERN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)cc1 ZINC000020530734 212143491 /nfs/dbraw/zinc/14/34/91/212143491.db2.gz DEHWTEQLHORXQK-QGZVFWFLSA-N 0 0 335.407 2.904 10 10 EFCERN CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020374272 212123675 /nfs/dbraw/zinc/12/36/75/212123675.db2.gz KEMZDCZSUKNWJJ-UHFFFAOYSA-N 0 0 341.230 2.856 10 10 EFCERN Cn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)nc2ccccn21 ZINC000015910908 211867583 /nfs/dbraw/zinc/86/75/83/211867583.db2.gz QORRRKNDAKGMBY-UHFFFAOYSA-N 0 0 330.347 2.800 10 10 EFCERN COc1ccc(N(CCOc2ccccc2F)CCC(N)=O)cc1 ZINC000012634834 211427635 /nfs/dbraw/zinc/42/76/35/211427635.db2.gz LIYLEUARKWCEQP-UHFFFAOYSA-N 0 0 332.375 2.595 10 10 EFCERN CN(C)c1ccc(CNC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000010165733 211151816 /nfs/dbraw/zinc/15/18/16/211151816.db2.gz CCDGGQZPMKDVAL-UHFFFAOYSA-N 0 0 326.396 2.730 10 10 EFCERN CCCc1n[nH]c(C(=O)NCc2ccc(N(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000095398397 218330883 /nfs/dbraw/zinc/33/08/83/218330883.db2.gz XIWANPNKLHJNTH-UHFFFAOYSA-N 0 0 345.403 2.575 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@@H]2CCO)c(C)n1-c1cccc(C)c1 ZINC000095451148 218395735 /nfs/dbraw/zinc/39/57/35/218395735.db2.gz FQHDFNKIKRFAQH-SFHVURJKSA-N 0 0 342.439 2.626 10 10 EFCERN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(O)c(OC)c1 ZINC000005825883 210543777 /nfs/dbraw/zinc/54/37/77/210543777.db2.gz DHCBDOHXKHPWGC-RIYZIHGNSA-N 0 0 345.395 2.729 10 10 EFCERN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC ZINC000005014031 210362546 /nfs/dbraw/zinc/36/25/46/210362546.db2.gz AIUSWKQKWGEGBG-FVKVSMBQSA-N 0 0 327.340 2.544 10 10 EFCERN C/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004947378 210336032 /nfs/dbraw/zinc/33/60/32/210336032.db2.gz FGXCPRPZJUPOEG-GORDUTHDSA-N 0 0 349.342 2.520 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N(C)CC3(CO)CC3)c2C)cc1 ZINC000189144983 533210206 /nfs/dbraw/zinc/21/02/06/533210206.db2.gz NTJVVZRYDCAXJI-UHFFFAOYSA-N 0 0 342.439 2.947 10 10 EFCERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265359 533432933 /nfs/dbraw/zinc/43/29/33/533432933.db2.gz QUCICMNQVOKIJG-PVAVHDDUSA-N 0 0 337.391 2.502 10 10 EFCERN C[C@@H](O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000172549134 533581171 /nfs/dbraw/zinc/58/11/71/533581171.db2.gz BVOBKESIFVPFBN-OAHLLOKOSA-N 0 0 331.460 2.589 10 10 EFCERN O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC1CCSCC1 ZINC000096298385 135642684 /nfs/dbraw/zinc/64/26/84/135642684.db2.gz RZFVTGLCBINHHK-UTCJRWHESA-N 0 0 332.469 2.548 10 10 EFCERN Cc1noc(C)c1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096298384 135642851 /nfs/dbraw/zinc/64/28/51/135642851.db2.gz LBGLZPWFLQIDRL-YVMONPNESA-N 0 0 327.384 2.780 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2nsnc21 ZINC000012340974 135694371 /nfs/dbraw/zinc/69/43/71/135694371.db2.gz OJZINAAYXZQVRF-UHFFFAOYSA-N 0 0 340.408 2.780 10 10 EFCERN CC[C@]1(CO)CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189377669 276680285 /nfs/dbraw/zinc/68/02/85/276680285.db2.gz CLNQTLYQJXAHNB-IWHGQQBYSA-N 0 0 348.399 2.770 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595044 277629620 /nfs/dbraw/zinc/62/96/20/277629620.db2.gz QEERVDDFQFGCBF-MLGOLLRUSA-N 0 0 341.367 2.757 10 10 EFCERN Cc1ccc(N2C(=O)/C(=C\N3CCOCC3)SC2=S)c(C)c1 ZINC000020356990 301622208 /nfs/dbraw/zinc/62/22/08/301622208.db2.gz HBYGFWSKXGNGKU-GXDHUFHOSA-N 0 0 334.466 2.842 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@H]1CO ZINC000081479180 473205639 /nfs/dbraw/zinc/20/56/39/473205639.db2.gz IBOAKRNFQJAVCD-WMZOPIPTSA-N 0 0 331.460 2.637 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000095940826 473226014 /nfs/dbraw/zinc/22/60/14/473226014.db2.gz SVCYASXJMBMBJR-MLCYQJTMSA-N 0 0 334.279 2.662 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)cc1 ZINC000113012014 473347215 /nfs/dbraw/zinc/34/72/15/473347215.db2.gz HZBQURJLMQAING-GOSISDBHSA-N 0 0 338.407 2.520 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1C ZINC000190658672 473351932 /nfs/dbraw/zinc/35/19/32/473351932.db2.gz AIZUMJYUHMWKOQ-KBXCAEBGSA-N 0 0 331.460 2.635 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000190765633 473387358 /nfs/dbraw/zinc/38/73/58/473387358.db2.gz XDVMRLPPUZDDIN-UHFFFAOYSA-N 0 0 336.798 2.733 10 10 EFCERN Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Cl)cc3)=N2)cc1 ZINC000006817925 471572011 /nfs/dbraw/zinc/57/20/11/471572011.db2.gz PACFHHAKFYJTCP-HNNXBMFYSA-N 0 0 341.798 2.995 10 10 EFCERN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(O)c1O ZINC000007886256 471645225 /nfs/dbraw/zinc/64/52/25/471645225.db2.gz NZGVATUQIZNKNF-QGZVFWFLSA-N 0 0 326.352 2.835 10 10 EFCERN CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000022322021 472012654 /nfs/dbraw/zinc/01/26/54/472012654.db2.gz RXQAFIIMNDWHLF-UHFFFAOYSA-N 0 0 339.413 2.695 10 10 EFCERN COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cc2c1OCCO2 ZINC000054499093 472092372 /nfs/dbraw/zinc/09/23/72/472092372.db2.gz YWZOPADREJRNIQ-JYRVWZFOSA-N 0 0 349.433 2.830 10 10 EFCERN Cc1nc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000056199322 472291886 /nfs/dbraw/zinc/29/18/86/472291886.db2.gz TVLNRZKNHVMVJZ-QPJJXVBHSA-N 0 0 343.452 2.618 10 10 EFCERN Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1-c1ccccc1C ZINC000069487706 472354019 /nfs/dbraw/zinc/35/40/19/472354019.db2.gz DZXQJGPFRROOHJ-UHFFFAOYSA-N 0 0 349.438 2.958 10 10 EFCERN Cc1cc(CNC(=O)c2ccc(Cn3cncn3)cc2)ccc1N(C)C ZINC000069696746 472399601 /nfs/dbraw/zinc/39/96/01/472399601.db2.gz LLURXQKHISYRMA-UHFFFAOYSA-N 0 0 349.438 2.631 10 10 EFCERN CC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000069709611 472406975 /nfs/dbraw/zinc/40/69/75/472406975.db2.gz AVDKQXXCKRHHLO-HNNXBMFYSA-N 0 0 330.359 2.529 10 10 EFCERN COc1ccc(O)c(CNC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000117983023 472483567 /nfs/dbraw/zinc/48/35/67/472483567.db2.gz ICPLDKVGQNEPJK-CYBMUJFWSA-N 0 0 327.380 2.973 10 10 EFCERN COc1cccc(CNC(=O)C[C@@H]2CCOc3ccccc32)c1O ZINC000117972558 472483788 /nfs/dbraw/zinc/48/37/88/472483788.db2.gz ROGVQLDIMXTTSK-ZDUSSCGKSA-N 0 0 327.380 2.973 10 10 EFCERN COc1ccc(O)c(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000117983021 472484297 /nfs/dbraw/zinc/48/42/97/472484297.db2.gz ICPLDKVGQNEPJK-ZDUSSCGKSA-N 0 0 327.380 2.973 10 10 EFCERN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc[nH]3)C(=N)N12 ZINC000032945424 472484632 /nfs/dbraw/zinc/48/46/32/472484632.db2.gz XKFHZPVHQBCPLC-JZSRCMMISA-N 0 0 333.442 2.981 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCc3noc(C)n3)c2C)cc1 ZINC000118645765 472502932 /nfs/dbraw/zinc/50/29/32/472502932.db2.gz WFEJPHIZWATDNJ-UHFFFAOYSA-N 0 0 340.383 2.724 10 10 EFCERN CCCN(CCC)c1ccc(CN(C)CCS(C)(=O)=O)cc1 ZINC000155190716 472517764 /nfs/dbraw/zinc/51/77/64/472517764.db2.gz UDFZYIARZVTJMT-UHFFFAOYSA-N 0 0 326.506 2.789 10 10 EFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CCSCC1 ZINC000071888800 472600657 /nfs/dbraw/zinc/60/06/57/472600657.db2.gz RZFVTGLCBINHHK-ZZXKWVIFSA-N 0 0 332.469 2.548 10 10 EFCERN Cc1occc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071889008 472601981 /nfs/dbraw/zinc/60/19/81/472601981.db2.gz GGRXBBKHXJUMNO-QPJJXVBHSA-N 0 0 326.396 2.754 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000071909852 472614581 /nfs/dbraw/zinc/61/45/81/472614581.db2.gz CJTPZBBMOCBMGT-PRLJZHDASA-N 0 0 346.383 2.929 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(C)n1-c1cccc(C)c1 ZINC000130998372 472642071 /nfs/dbraw/zinc/64/20/71/472642071.db2.gz LRIAXDNNEKZCTD-INIZCTEOSA-N 0 0 339.439 2.753 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1O ZINC000072524808 472671313 /nfs/dbraw/zinc/67/13/13/472671313.db2.gz PDSJYRKAVYSLPP-GJZGRUSLSA-N 0 0 344.415 2.580 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1O ZINC000072524810 472672159 /nfs/dbraw/zinc/67/21/59/472672159.db2.gz PDSJYRKAVYSLPP-HUUCEWRRSA-N 0 0 344.415 2.580 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)[nH]n1 ZINC000120611971 472717910 /nfs/dbraw/zinc/71/79/10/472717910.db2.gz IRYGMBOSAGIBDS-AWEZNQCLSA-N 0 0 339.443 2.525 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000105298145 472742060 /nfs/dbraw/zinc/74/20/60/472742060.db2.gz CJTPZBBMOCBMGT-MJWHDNRXSA-N 0 0 346.383 2.929 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ccnn3C)CC2)cc1 ZINC000120908263 472767210 /nfs/dbraw/zinc/76/72/10/472767210.db2.gz AKFUCILMYLQSKY-UHFFFAOYSA-N 0 0 341.459 2.575 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)COC ZINC000120988337 472779574 /nfs/dbraw/zinc/77/95/74/472779574.db2.gz CMJIAXJTFTUOJZ-SNVBAGLBSA-N 0 0 330.222 2.786 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4cc(F)ccc4C3)cc2N1 ZINC000091671767 472791666 /nfs/dbraw/zinc/79/16/66/472791666.db2.gz MWNHYFJQVMHNNE-UHFFFAOYSA-N 0 0 343.314 2.628 10 10 EFCERN Oc1ccc(Br)cc1CN1CCN(CC(F)F)CC1 ZINC000092586398 472940313 /nfs/dbraw/zinc/94/03/13/472940313.db2.gz BSWPVDBSQHCWRW-UHFFFAOYSA-N 0 0 335.192 2.537 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000108395029 473023887 /nfs/dbraw/zinc/02/38/87/473023887.db2.gz SVCYASXJMBMBJR-YPMLDQLKSA-N 0 0 334.279 2.662 10 10 EFCERN CNC(=S)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000066011898 473036119 /nfs/dbraw/zinc/03/61/19/473036119.db2.gz XGKUIHWOTFXHOH-SNVBAGLBSA-N 0 0 333.379 2.505 10 10 EFCERN COc1cccc([C@H]2CN(Cc3cccc(OC)c3O)CCO2)c1 ZINC000093080115 473039587 /nfs/dbraw/zinc/03/95/87/473039587.db2.gz ZWUIOPJSBXTOFE-GOSISDBHSA-N 0 0 329.396 2.983 10 10 EFCERN CCOc1ccc(O)c(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000122640030 473040034 /nfs/dbraw/zinc/04/00/34/473040034.db2.gz SQLYJRPKEFSGQL-SFHVURJKSA-N 0 0 345.443 2.505 10 10 EFCERN Oc1cc2c(cc1CNc1ccccc1N1CCC(O)CC1)OCO2 ZINC000123089485 473095313 /nfs/dbraw/zinc/09/53/13/473095313.db2.gz FUKXKHSBOOORSA-UHFFFAOYSA-N 0 0 342.395 2.694 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCc2n[nH]cc21 ZINC000136943248 473187048 /nfs/dbraw/zinc/18/70/48/473187048.db2.gz LTMDLHYZDWGFLZ-CQSZACIVSA-N 0 0 325.412 2.730 10 10 EFCERN COc1ccc(O)c(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)c1 ZINC000185625721 473471245 /nfs/dbraw/zinc/47/12/45/473471245.db2.gz GIBJFASDKGSXEQ-SFHVURJKSA-N 0 0 344.386 2.521 10 10 EFCERN Nc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000179043180 473616973 /nfs/dbraw/zinc/61/69/73/473616973.db2.gz SAODTKTXADKHPG-UHFFFAOYSA-N 0 0 341.436 2.676 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179466394 473689732 /nfs/dbraw/zinc/68/97/32/473689732.db2.gz BREGTARULVIIMM-HKUYNNGSSA-N 0 0 339.439 2.979 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCC4(COC4)C3)ccc21 ZINC000620293160 480055489 /nfs/dbraw/zinc/05/54/89/480055489.db2.gz JWJTVVJHKPAIEM-UHFFFAOYSA-N 0 0 342.439 2.767 10 10 EFCERN Cc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000179602501 473697845 /nfs/dbraw/zinc/69/78/45/473697845.db2.gz BUIKTOQANBIFEB-MRXNPFEDSA-N 0 0 330.815 2.766 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1COc2ccccc2C1 ZINC000173198420 473769025 /nfs/dbraw/zinc/76/90/25/473769025.db2.gz AHEALKKGEUYANQ-OAHLLOKOSA-N 0 0 338.407 2.729 10 10 EFCERN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287892016 473791228 /nfs/dbraw/zinc/79/12/28/473791228.db2.gz ZAKKVTQBBRVYBZ-RISCZKNCSA-N 0 0 325.840 2.890 10 10 EFCERN Cc1nnc([C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)[nH]1 ZINC000180105679 473800162 /nfs/dbraw/zinc/80/01/62/473800162.db2.gz YDAFBWDZQJJXJF-GOSISDBHSA-N 0 0 341.459 2.677 10 10 EFCERN CC(C)(C)n1cc(CN2CCN(Cc3cc(F)ccc3O)CC2)cn1 ZINC000180107652 473800768 /nfs/dbraw/zinc/80/07/68/473800768.db2.gz NDVWZLROASDUKQ-UHFFFAOYSA-N 0 0 346.450 2.801 10 10 EFCERN O=C(c1cccs1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000180151992 473811180 /nfs/dbraw/zinc/81/11/80/473811180.db2.gz XRCZKTIKVOOZFL-UHFFFAOYSA-N 0 0 334.416 2.941 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246488785 473877353 /nfs/dbraw/zinc/87/73/53/473877353.db2.gz PEEQKGBBFFHMMT-DGCLKSJQSA-N 0 0 344.820 2.660 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCCO1 ZINC000281907675 473881218 /nfs/dbraw/zinc/88/12/18/473881218.db2.gz QANJNZMVKCCDTI-IZPAUZPXSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000274775995 473954034 /nfs/dbraw/zinc/95/40/34/473954034.db2.gz JEBWKDNEVYOACF-ZDUSSCGKSA-N 0 0 331.391 2.614 10 10 EFCERN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/C(C)(C)C)cc2)CC1 ZINC000188122237 473992110 /nfs/dbraw/zinc/99/21/10/473992110.db2.gz GPGAHUFKIKLGRO-MDZDMXLPSA-N 0 0 343.471 2.574 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000274911223 474011024 /nfs/dbraw/zinc/01/10/24/474011024.db2.gz IYXYWOZQJAHUIV-QGHHPUGFSA-N 0 0 347.798 2.802 10 10 EFCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=COCCC2)cc1 ZINC000264540327 474029614 /nfs/dbraw/zinc/02/96/14/474029614.db2.gz NORXDGZQECJJAV-LJQANCHMSA-N 0 0 344.455 2.955 10 10 EFCERN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cn[nH]c1 ZINC000270351035 474085335 /nfs/dbraw/zinc/08/53/35/474085335.db2.gz PNJWLMMVCWQICT-XJKSGUPXSA-N 0 0 344.415 2.567 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282493135 474085540 /nfs/dbraw/zinc/08/55/40/474085540.db2.gz RHAYIXXJWTUVIJ-IAQYHMDHSA-N 0 0 329.400 2.641 10 10 EFCERN COc1cc(O)c(CN2CCC=C(Br)C2)cc1OC ZINC000282492925 474085805 /nfs/dbraw/zinc/08/58/05/474085805.db2.gz UYLNMEGQDJKFHL-UHFFFAOYSA-N 0 0 328.206 2.894 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2oc(CO)cc2C)cc1F ZINC000283031544 474278001 /nfs/dbraw/zinc/27/80/01/474278001.db2.gz KPCTUSVFSRGNEE-UHFFFAOYSA-N 0 0 334.391 2.996 10 10 EFCERN C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000175674417 474280254 /nfs/dbraw/zinc/28/02/54/474280254.db2.gz XOOPQCXKIRGFHG-HUUCEWRRSA-N 0 0 349.450 2.992 10 10 EFCERN CN(CCCO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000283137338 474315929 /nfs/dbraw/zinc/31/59/29/474315929.db2.gz ZYDNGOCXXLCRKL-UHFFFAOYSA-N 0 0 333.476 2.979 10 10 EFCERN Cc1nn(C)c(C)c1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265858579 474364317 /nfs/dbraw/zinc/36/43/17/474364317.db2.gz CHUIYSIYBKXFSS-UHFFFAOYSA-N 0 0 325.416 2.735 10 10 EFCERN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)S1(=O)=O ZINC000289675887 474374787 /nfs/dbraw/zinc/37/47/87/474374787.db2.gz DQTARYAARGDFLI-SMDDNHRTSA-N 0 0 331.865 2.752 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cc(-n4ccnc4)ccn3)ccc21 ZINC000271300326 474482051 /nfs/dbraw/zinc/48/20/51/474482051.db2.gz IHBQVEMEPIAMKI-UHFFFAOYSA-N 0 0 347.422 2.580 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)c1O ZINC000266891441 474518788 /nfs/dbraw/zinc/51/87/88/474518788.db2.gz YMSNEYAYCTTWOZ-OAHLLOKOSA-N 0 0 342.395 2.951 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc[nH]c1C1CC1 ZINC000283942700 474532726 /nfs/dbraw/zinc/53/27/26/474532726.db2.gz KBQABQNFSRAPQW-UHFFFAOYSA-N 0 0 343.402 2.798 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc[nH]c1C1CC1 ZINC000284012388 474549976 /nfs/dbraw/zinc/54/99/76/474549976.db2.gz QWHSLNAVUAXWKJ-UHFFFAOYSA-N 0 0 325.412 2.659 10 10 EFCERN COC(=O)[C@H](CF)NCc1ccc(OCc2ccccc2)cc1O ZINC000290639778 474580660 /nfs/dbraw/zinc/58/06/60/474580660.db2.gz YKXSLCKBDNOQCO-INIZCTEOSA-N 0 0 333.359 2.572 10 10 EFCERN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000284169697 474586922 /nfs/dbraw/zinc/58/69/22/474586922.db2.gz WWIZNRLJRZONTO-DGCLKSJQSA-N 0 0 336.259 2.947 10 10 EFCERN CO[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290977276 474588449 /nfs/dbraw/zinc/58/84/49/474588449.db2.gz CLOFBDOHKHABMT-YCPHGPKFSA-N 0 0 336.432 2.506 10 10 EFCERN Cc1cc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c(C)n1-c1ccccn1 ZINC000277692171 474593016 /nfs/dbraw/zinc/59/30/16/474593016.db2.gz ZTOVIYLJWVAGCC-UHFFFAOYSA-N 0 0 348.406 2.788 10 10 EFCERN COc1cc(C)cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278310069 474606289 /nfs/dbraw/zinc/60/62/89/474606289.db2.gz DYGXBGSVZSBOKJ-UHFFFAOYSA-N 0 0 332.356 2.916 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309916 474606655 /nfs/dbraw/zinc/60/66/55/474606655.db2.gz DWMAZQXCTSHGFG-CQSZACIVSA-N 0 0 332.356 2.522 10 10 EFCERN COc1ccc(O)c([C@@H](C)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000273367687 474861247 /nfs/dbraw/zinc/86/12/47/474861247.db2.gz BUPCAHUINADAPQ-IAQYHMDHSA-N 0 0 333.409 2.580 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278914218 474913427 /nfs/dbraw/zinc/91/34/27/474913427.db2.gz WAQKJJAVYSORLF-CYBMUJFWSA-N 0 0 333.428 2.772 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000278942918 474930435 /nfs/dbraw/zinc/93/04/35/474930435.db2.gz JAYGIGZOAONVOG-UHFFFAOYSA-N 0 0 337.832 2.768 10 10 EFCERN CC1(C)CC[C@@H](C(=O)NCc2cccc(Br)c2O)O1 ZINC000279300987 474969394 /nfs/dbraw/zinc/96/93/94/474969394.db2.gz LOXRSUJTWMULSC-NSHDSACASA-N 0 0 328.206 2.729 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279401932 474973435 /nfs/dbraw/zinc/97/34/35/474973435.db2.gz IRCBOAKOVSYHIJ-ICGPHACGSA-N 0 0 348.399 2.911 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000273588519 474977588 /nfs/dbraw/zinc/97/75/88/474977588.db2.gz OPZOEVGDNKFGKR-CZUORRHYSA-N 0 0 329.396 2.606 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000285393895 475003652 /nfs/dbraw/zinc/00/36/52/475003652.db2.gz SQBQSVUFJMXDPQ-KRWDZBQOSA-N 0 0 339.819 2.630 10 10 EFCERN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C ZINC000280636204 475040167 /nfs/dbraw/zinc/04/01/67/475040167.db2.gz UIIHEVWIGXUTGX-UHFFFAOYSA-N 0 0 337.397 2.827 10 10 EFCERN CN(C)C(=O)CC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293740030 475050566 /nfs/dbraw/zinc/05/05/66/475050566.db2.gz XDWDQSIOQLEUOB-UHFFFAOYSA-N 0 0 328.815 2.875 10 10 EFCERN O=C(CO[C@H]1CCCc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000280870450 475054308 /nfs/dbraw/zinc/05/43/08/475054308.db2.gz SUYGGWSIPXDNPP-SFHVURJKSA-N 0 0 327.380 2.808 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCC3CCOCC3)CC2)cc1 ZINC000280894073 475055470 /nfs/dbraw/zinc/05/54/70/475055470.db2.gz BXXBBCTZDORZSV-UHFFFAOYSA-N 0 0 346.471 2.941 10 10 EFCERN CO[C@H]1COCC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000294602768 475075300 /nfs/dbraw/zinc/07/53/00/475075300.db2.gz WOLCFBRARUFHIP-HKUYNNGSSA-N 0 0 348.487 2.931 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000294633971 475076309 /nfs/dbraw/zinc/07/63/09/475076309.db2.gz JWPFARWAEGXLQL-ZBEGNZNMSA-N 0 0 343.826 2.842 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccnn2CC(F)(F)F)cc1F ZINC000294757196 475080871 /nfs/dbraw/zinc/08/08/71/475080871.db2.gz PSHQXKOYDOFACW-UHFFFAOYSA-N 0 0 344.312 2.581 10 10 EFCERN Cc1cc(CN2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)no1 ZINC000294838746 475087207 /nfs/dbraw/zinc/08/72/07/475087207.db2.gz HSVFJKLAPVFEKK-UHFFFAOYSA-N 0 0 339.798 2.799 10 10 EFCERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000295230944 475112904 /nfs/dbraw/zinc/11/29/04/475112904.db2.gz CXBROFLGDWEWGE-DGCLKSJQSA-N 0 0 342.233 2.976 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000295289298 475117588 /nfs/dbraw/zinc/11/75/88/475117588.db2.gz LGBSORHTPLAFQB-AWEZNQCLSA-N 0 0 346.443 2.950 10 10 EFCERN Cc1cc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1N(C)C ZINC000292686823 475152712 /nfs/dbraw/zinc/15/27/12/475152712.db2.gz CDVDJZJJQJYEAH-IEBWSBKVSA-N 0 0 344.455 2.979 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1 ZINC000292754062 475183424 /nfs/dbraw/zinc/18/34/24/475183424.db2.gz KNKRONWVSKLTGS-UHFFFAOYSA-N 0 0 337.423 2.912 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757735 475185811 /nfs/dbraw/zinc/18/58/11/475185811.db2.gz JEQDKCNLAZMGJU-RISCZKNCSA-N 0 0 328.315 2.786 10 10 EFCERN CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)F ZINC000297510444 475788694 /nfs/dbraw/zinc/78/86/94/475788694.db2.gz XRISJDLDTUINSO-CABCVRRESA-N 0 0 343.418 2.737 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302706543 476201992 /nfs/dbraw/zinc/20/19/92/476201992.db2.gz HACOAMJXVIQGNW-FVOPLDGLSA-N 0 0 336.413 2.970 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CC[C@@H](C3)O4)ccc21 ZINC000374061327 476451218 /nfs/dbraw/zinc/45/12/18/476451218.db2.gz AZVVDXNDBJUIDE-CALCHBBNSA-N 0 0 342.439 2.908 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c(O)c1O ZINC000374727034 476505094 /nfs/dbraw/zinc/50/50/94/476505094.db2.gz QTJWLHJCTZRUFU-MLGOLLRUSA-N 0 0 327.380 2.870 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCn3cc(C)nc3C2)cc1 ZINC000369981765 476615893 /nfs/dbraw/zinc/61/58/93/476615893.db2.gz DBQGYSPUMAYISD-UHFFFAOYSA-N 0 0 341.459 2.763 10 10 EFCERN CCOc1ccc(O)c(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000378366088 476702463 /nfs/dbraw/zinc/70/24/63/476702463.db2.gz AEJGSNXZKLDMKF-INIZCTEOSA-N 0 0 331.416 2.704 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc2c(s1)CCC2 ZINC000415238375 476911298 /nfs/dbraw/zinc/91/12/98/476911298.db2.gz DTDHRNSNPNMJEC-UHFFFAOYSA-N 0 0 329.425 2.737 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000371007417 477079391 /nfs/dbraw/zinc/07/93/91/477079391.db2.gz UWNLPCICQZRAML-FNORWQNLSA-N 0 0 339.351 2.739 10 10 EFCERN COc1c(O)c(CNc2cccc3c2OCC[C@@H]3O)ccc1[N+](=O)[O-] ZINC000377080340 477632311 /nfs/dbraw/zinc/63/23/11/477632311.db2.gz UKZDGNFLZOJOGZ-AWEZNQCLSA-N 0 0 346.339 2.737 10 10 EFCERN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086306 477783750 /nfs/dbraw/zinc/78/37/50/477783750.db2.gz PCFUHTDWWWOJIL-HZPDHXFCSA-N 0 0 344.386 2.721 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000372471886 477797730 /nfs/dbraw/zinc/79/77/30/477797730.db2.gz GILCEGPRUIJISW-QGZVFWFLSA-N 0 0 325.412 2.740 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000368421589 477805783 /nfs/dbraw/zinc/80/57/83/477805783.db2.gz FFOIPRPPYCIDLZ-ZDUSSCGKSA-N 0 0 327.336 2.804 10 10 EFCERN CCOc1cccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000527747502 478501155 /nfs/dbraw/zinc/50/11/55/478501155.db2.gz YLTBECQJJKQOGL-CYBMUJFWSA-N 0 0 329.322 2.881 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528856686 478963179 /nfs/dbraw/zinc/96/31/79/478963179.db2.gz DMPUTLBNJYNFII-MORSLUCNSA-N 0 0 343.810 2.996 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@]2(C)Br)c1 ZINC000528862400 478964455 /nfs/dbraw/zinc/96/44/55/478964455.db2.gz QIMBWINTNDUJDN-OLXJLDBKSA-N 0 0 328.206 2.752 10 10 EFCERN Cn1cc(-c2nn(C)cc2C(=O)N2CC3(CC3)c3ccccc32)cn1 ZINC000548376410 479125924 /nfs/dbraw/zinc/12/59/24/479125924.db2.gz PZWUEGLDTPUZHD-UHFFFAOYSA-N 0 0 333.395 2.513 10 10 EFCERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529387150 479142293 /nfs/dbraw/zinc/14/22/93/479142293.db2.gz KKMPVVLYNLASHY-RZGXBDKHSA-N 0 0 342.233 2.830 10 10 EFCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529387147 479143014 /nfs/dbraw/zinc/14/30/14/479143014.db2.gz KKMPVVLYNLASHY-PUXPGTEJSA-N 0 0 342.233 2.830 10 10 EFCERN C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000529499762 479181249 /nfs/dbraw/zinc/18/12/49/479181249.db2.gz ACLSBHRLBKGJIS-ABAIWWIYSA-N 0 0 335.201 2.730 10 10 EFCERN Cc1ccn([C@@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000611657168 479438637 /nfs/dbraw/zinc/43/86/37/479438637.db2.gz JGECSVJSAQPESO-AWEZNQCLSA-N 0 0 328.416 2.634 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(O)C[C@H]4C3)ccc21 ZINC000618756009 479581385 /nfs/dbraw/zinc/58/13/85/479581385.db2.gz PHJDCTBTSWWCER-OXJNMPFZSA-N 0 0 342.439 2.501 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)NCC3CSC3)ccc21 ZINC000616061086 479817099 /nfs/dbraw/zinc/81/70/99/479817099.db2.gz GKCRDZVERIJBOE-UHFFFAOYSA-N 0 0 332.469 2.997 10 10 EFCERN Cn1cc(C(=O)N2CCc3cc(F)c(F)cc32)c(-c2cccnc2)n1 ZINC000620892146 480261669 /nfs/dbraw/zinc/26/16/69/480261669.db2.gz GNNINJHLYNKZCN-UHFFFAOYSA-N 0 0 340.333 2.963 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)[C@@H](C)CO)CCCC1 ZINC000651525479 481828123 /nfs/dbraw/zinc/82/81/23/481828123.db2.gz CXBBPDLZKAXZCR-KBPBESRZSA-N 0 0 344.455 2.662 10 10 EFCERN O=C(NCCc1ccccc1O)NCc1ccc(N2CC=CC2)cc1 ZINC000172631943 534481288 /nfs/dbraw/zinc/48/12/88/534481288.db2.gz TVOWHYOVZXCQCV-UHFFFAOYSA-N 0 0 337.423 2.810 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000298173180 520901026 /nfs/dbraw/zinc/90/10/26/520901026.db2.gz FYVFHKSCZONDNK-DLBZAZTESA-N 0 0 333.476 2.883 10 10 EFCERN COC(=O)CCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299320013 522994938 /nfs/dbraw/zinc/99/49/38/522994938.db2.gz ONJPUXFHDKJBND-UHFFFAOYSA-N 0 0 347.459 2.770 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCC[C@@H](CO)C2)c(C)n1-c1ccccn1 ZINC000298285086 524151378 /nfs/dbraw/zinc/15/13/78/524151378.db2.gz MDGUUWAIAZCHRZ-CVEARBPZSA-N 0 0 327.428 2.770 10 10 EFCERN C=CC(=O)NCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000156717823 526923592 /nfs/dbraw/zinc/92/35/92/526923592.db2.gz SZHYYQGCEJTVPX-UHFFFAOYSA-N 0 0 343.471 2.764 10 10 EFCERN CC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000176631188 527958570 /nfs/dbraw/zinc/95/85/70/527958570.db2.gz NWKLFLJGKJJETN-UHFFFAOYSA-N 0 0 345.487 2.885 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]2CCO[C@H]21 ZINC000246705261 535057465 /nfs/dbraw/zinc/05/74/65/535057465.db2.gz CHBCJLMPVOIPJO-RCCFBDPRSA-N 0 0 343.471 2.900 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000296221140 535259660 /nfs/dbraw/zinc/25/96/60/535259660.db2.gz WVVZKDPNKOGVMY-MAUKXSAKSA-N 0 0 335.444 2.963 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCCS(=O)(=O)CC2)cc1 ZINC000378347308 535327507 /nfs/dbraw/zinc/32/75/07/535327507.db2.gz VIZRHPWMOGWUKJ-UHFFFAOYSA-N 0 0 338.517 2.934 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)cc1 ZINC000296771359 535686094 /nfs/dbraw/zinc/68/60/94/535686094.db2.gz RJLTZXZQBJLXCM-RHSMWYFYSA-N 0 0 340.489 2.520 10 10 EFCERN CCOc1ccc(O)c(CN2CCO[C@H](c3cnn(CC)c3)C2)c1 ZINC000191709686 535752738 /nfs/dbraw/zinc/75/27/38/535752738.db2.gz CDTCDNQXHVVPHZ-SFHVURJKSA-N 0 0 331.416 2.581 10 10 EFCERN CN(CCF)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000297870683 536363656 /nfs/dbraw/zinc/36/36/56/536363656.db2.gz IKMAPYIEPXLEEB-GFCCVEGCSA-N 0 0 345.365 2.868 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)ccc21 ZINC000248886862 536396156 /nfs/dbraw/zinc/39/61/56/536396156.db2.gz SFLRNBOWQVCWRN-PKOBYXMFSA-N 0 0 343.471 2.826 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cc(=O)c4ccccc4[nH]3)ccc21 ZINC000057550259 536396945 /nfs/dbraw/zinc/39/69/45/536396945.db2.gz LZNSEAIHQCKCNK-UHFFFAOYSA-N 0 0 347.418 2.841 10 10 EFCERN COCc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000364739833 536744756 /nfs/dbraw/zinc/74/47/56/536744756.db2.gz AWHTZYRBJSAPLQ-UHFFFAOYSA-N 0 0 344.411 2.787 10 10 EFCERN COC(=O)c1ccc(NCc2ccc(N3CC=CC3)cc2)nc1OC ZINC000302559754 536787922 /nfs/dbraw/zinc/78/79/22/536787922.db2.gz KYLPTYJOFFZEEV-UHFFFAOYSA-N 0 0 339.395 2.865 10 10 EFCERN COc1cc(OC)c2ncnc(N(C)Cc3ccccc3O)c2c1 ZINC000302868454 536869050 /nfs/dbraw/zinc/86/90/50/536869050.db2.gz XBEUAOOBQPGZMT-UHFFFAOYSA-N 0 0 325.368 2.989 10 10 EFCERN COC(=O)CN(Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000754722103 575477425 /nfs/dbraw/zinc/47/74/25/575477425.db2.gz CKLIEKJEYQYITI-UHFFFAOYSA-N 0 0 329.396 2.884 10 10 EFCERN COc1cc(C)cc(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729768 575479224 /nfs/dbraw/zinc/47/92/24/575479224.db2.gz GAJARLQSGZIDFZ-OAHLLOKOSA-N 0 0 345.399 2.543 10 10 EFCERN COc1cc(C)cc(CN2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000754730445 575479356 /nfs/dbraw/zinc/47/93/56/575479356.db2.gz OQPAGGCLLGGYTF-UHFFFAOYSA-N 0 0 336.432 2.619 10 10 EFCERN CC[S@](=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576925 575764951 /nfs/dbraw/zinc/76/49/51/575764951.db2.gz PLQSKWMBMZYOOL-CVJBHZAOSA-N 0 0 338.242 2.713 10 10 EFCERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756593412 575766290 /nfs/dbraw/zinc/76/62/90/575766290.db2.gz JQDPDGDELCURRL-IUCAKERBSA-N 0 0 345.212 2.565 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)c2sccc2C)c1 ZINC000756736607 575782416 /nfs/dbraw/zinc/78/24/16/575782416.db2.gz ORVBDIUPNCGANH-SMDDNHRTSA-N 0 0 335.425 2.933 10 10 EFCERN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768622 575785192 /nfs/dbraw/zinc/78/51/92/575785192.db2.gz FSWLLDKKARREMY-LLVKDONJSA-N 0 0 328.372 2.861 10 10 EFCERN C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756777266 575786102 /nfs/dbraw/zinc/78/61/02/575786102.db2.gz HLDNHBINNAEEBU-QMMMGPOBSA-N 0 0 328.185 2.878 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000757665669 575848693 /nfs/dbraw/zinc/84/86/93/575848693.db2.gz MYXJKZUZDZJGBF-ZDUSSCGKSA-N 0 0 346.818 2.519 10 10 EFCERN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cn[nH]c1 ZINC000757728364 575851855 /nfs/dbraw/zinc/85/18/55/575851855.db2.gz WWZDUNKAJKTXQM-CYBMUJFWSA-N 0 0 327.432 2.911 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758010902 575857959 /nfs/dbraw/zinc/85/79/59/575857959.db2.gz WBFPCAYGZDSMTB-UHFFFAOYSA-N 0 0 330.222 2.704 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000758496364 575870929 /nfs/dbraw/zinc/87/09/29/575870929.db2.gz UYZGXHROPJAZBL-UHFFFAOYSA-N 0 0 325.412 2.583 10 10 EFCERN Cc1sc2nc(COC(=O)c3cccc(O)c3O)nc(N)c2c1C ZINC000758559305 575872749 /nfs/dbraw/zinc/87/27/49/575872749.db2.gz DILFTCBXGQTFSC-UHFFFAOYSA-N 0 0 345.380 2.659 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2c(c1)OCCO2 ZINC000759593740 575905969 /nfs/dbraw/zinc/90/59/69/575905969.db2.gz JGHYNNYCLYLAGQ-UTCJRWHESA-N 0 0 328.320 2.626 10 10 EFCERN CSCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761359868 576150712 /nfs/dbraw/zinc/15/07/12/576150712.db2.gz IQAHOJGIRZYWOG-UHFFFAOYSA-N 0 0 342.848 2.953 10 10 EFCERN COc1cc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000761611319 576187830 /nfs/dbraw/zinc/18/78/30/576187830.db2.gz SXZYDCMIRFLCQE-UHFFFAOYSA-N 0 0 346.383 2.788 10 10 EFCERN CCCN(CC(C)(C)O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000762953865 576350090 /nfs/dbraw/zinc/35/00/90/576350090.db2.gz QQSBFZYXHKDORM-VQHVLOKHSA-N 0 0 336.388 2.768 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763488692 576378939 /nfs/dbraw/zinc/37/89/39/576378939.db2.gz CYURBNHKYKFROO-WYRIXSBYSA-N 0 0 346.290 2.806 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000763646698 576383830 /nfs/dbraw/zinc/38/38/30/576383830.db2.gz AFDSTXWCDCSBAC-JEOXALJRSA-N 0 0 346.290 2.664 10 10 EFCERN CN1CC[C@H](NC(=O)C2=CC(=O)CS2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765419950 577040547 /nfs/dbraw/zinc/04/05/47/577040547.db2.gz YZOOYSYTLQPHAY-ZFWWWQNUSA-N 0 0 338.379 2.907 10 10 EFCERN O=C(NCc1cccc(Br)c1O)C1CCC(=O)CC1 ZINC000765728658 577070862 /nfs/dbraw/zinc/07/08/62/577070862.db2.gz JAACDEPRPMZXDV-UHFFFAOYSA-N 0 0 326.190 2.530 10 10 EFCERN O=C(/C=C/c1cncc(O)c1)NCc1cccc(Br)c1O ZINC000765767472 577074257 /nfs/dbraw/zinc/07/42/57/577074257.db2.gz ZWPWWDLUORDQEI-SNAWJCMRSA-N 0 0 349.184 2.585 10 10 EFCERN CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(O)cc1 ZINC000765974035 577094403 /nfs/dbraw/zinc/09/44/03/577094403.db2.gz MTRHSLCRLGPQNS-GOSISDBHSA-N 0 0 328.412 2.804 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccn(C)n1 ZINC000766269829 577129273 /nfs/dbraw/zinc/12/92/73/577129273.db2.gz QWBRAPINUBHLSS-UHFFFAOYSA-N 0 0 341.459 2.752 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000767179752 577198939 /nfs/dbraw/zinc/19/89/39/577198939.db2.gz BNRBRQCTHVPZFB-HNNXBMFYSA-N 0 0 342.395 2.764 10 10 EFCERN CN(C)c1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1F ZINC000768252719 577263234 /nfs/dbraw/zinc/26/32/34/577263234.db2.gz NIPKQTDNQXQPDK-UHFFFAOYSA-N 0 0 335.467 2.972 10 10 EFCERN CN(Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462627 577275875 /nfs/dbraw/zinc/27/58/75/577275875.db2.gz ASYUYPWJGVAKQR-OAHLLOKOSA-N 0 0 346.452 2.785 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1OCC[C@@H]2O ZINC000768480075 577277396 /nfs/dbraw/zinc/27/73/96/577277396.db2.gz RNIYUCIWBCGPHN-VSKVDJIOSA-N 0 0 327.336 2.566 10 10 EFCERN C[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769325955 577352219 /nfs/dbraw/zinc/35/22/19/577352219.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 0 0 325.250 2.823 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000769482645 577366016 /nfs/dbraw/zinc/36/60/16/577366016.db2.gz FHMUCVQKFXACDH-GOSISDBHSA-N 0 0 331.460 2.949 10 10 EFCERN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C)cc1 ZINC000769676953 577378126 /nfs/dbraw/zinc/37/81/26/577378126.db2.gz CPWJUNPBSBDRRT-UHFFFAOYSA-N 0 0 348.424 2.739 10 10 EFCERN CC(=O)NC(C)(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000726767894 577385472 /nfs/dbraw/zinc/38/54/72/577385472.db2.gz NBFXATUSLMXDHZ-UHFFFAOYSA-N 0 0 341.455 2.668 10 10 EFCERN CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)s1 ZINC000769796643 577385809 /nfs/dbraw/zinc/38/58/09/577385809.db2.gz YXVFONYUPOFPSJ-RMKNXTFCSA-N 0 0 340.495 2.732 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000770285310 577410001 /nfs/dbraw/zinc/41/00/01/577410001.db2.gz FRDMFZGEPRQJQO-GXFFZTMASA-N 0 0 326.780 2.955 10 10 EFCERN Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)c(O)c1O ZINC000727004986 577429057 /nfs/dbraw/zinc/42/90/57/577429057.db2.gz BLRIISQBIJCRBB-LLVKDONJSA-N 0 0 347.342 2.580 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2cnn(C)c2C2CC2)cc1F ZINC000771220927 581189403 /nfs/dbraw/zinc/18/94/03/581189403.db2.gz WJFYOWPNQYHQRV-UHFFFAOYSA-N 0 0 331.395 2.824 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H](CO)c3ccsc3)ccc21 ZINC000771312535 581198173 /nfs/dbraw/zinc/19/81/73/581198173.db2.gz JSKFPAMDNMVSIO-INIZCTEOSA-N 0 0 345.468 2.663 10 10 EFCERN COCc1nc(OC)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000772140209 581287894 /nfs/dbraw/zinc/28/78/94/581287894.db2.gz ARMLUZYLEOZHPP-UHFFFAOYSA-N 0 0 346.818 2.974 10 10 EFCERN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000772454209 581324881 /nfs/dbraw/zinc/32/48/81/581324881.db2.gz UAMCPFGIGOPHMJ-SJLPKXTDSA-N 0 0 326.396 2.969 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1cccc(NS(C)(=O)=O)c1 ZINC000772596831 581345273 /nfs/dbraw/zinc/34/52/73/581345273.db2.gz BHOPRLNQRNNGBK-UHFFFAOYSA-N 0 0 332.425 2.629 10 10 EFCERN CC(=O)C(C)(C)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000772707510 581358043 /nfs/dbraw/zinc/35/80/43/581358043.db2.gz KOHLMOAAMXKAEV-UHFFFAOYSA-N 0 0 346.471 2.877 10 10 EFCERN COCCN(CC(C)C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000772899816 581379667 /nfs/dbraw/zinc/37/96/67/581379667.db2.gz ZRHGNGMMZWMYQI-VURMDHGXSA-N 0 0 336.388 2.890 10 10 EFCERN C[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773621443 581451335 /nfs/dbraw/zinc/45/13/35/581451335.db2.gz YXDCICXDXJOUCO-IAQYHMDHSA-N 0 0 345.365 2.522 10 10 EFCERN C[C@@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773623427 581451532 /nfs/dbraw/zinc/45/15/32/581451532.db2.gz IQCXYCPHMSUMQS-BEFAXECRSA-N 0 0 341.455 2.716 10 10 EFCERN C[C@H](NC(=O)N[C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773624791 581451756 /nfs/dbraw/zinc/45/17/56/581451756.db2.gz KUHMDRJGDQYHSV-LRDDRELGSA-N 0 0 333.457 2.908 10 10 EFCERN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773740833 581460285 /nfs/dbraw/zinc/46/02/85/581460285.db2.gz UBJSJANMLCMGSE-STQMWFEESA-N 0 0 345.395 2.621 10 10 EFCERN COc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000773748515 581461013 /nfs/dbraw/zinc/46/10/13/581461013.db2.gz LFGXNYRIWPGTED-LBPRGKRZSA-N 0 0 345.395 2.784 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(n1)CCCC2 ZINC000773768429 581463257 /nfs/dbraw/zinc/46/32/57/581463257.db2.gz VHXHTRMAFPMXAK-LBPRGKRZSA-N 0 0 326.396 2.733 10 10 EFCERN C[C@@H]1CCOCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650949 581496465 /nfs/dbraw/zinc/49/64/65/581496465.db2.gz SRKQLGHXBDLQSY-CQSZACIVSA-N 0 0 341.407 2.940 10 10 EFCERN COc1c(O)c(CNc2cccc(N(C)C(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774934442 581504504 /nfs/dbraw/zinc/50/45/04/581504504.db2.gz JPAVDNSKPGXCMX-UHFFFAOYSA-N 0 0 345.355 2.904 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000774963783 581505266 /nfs/dbraw/zinc/50/52/66/581505266.db2.gz KKGHVLCAJKWTQR-JTQLQIEISA-N 0 0 346.339 2.889 10 10 EFCERN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000733780236 1265415616 /nfs/dbraw/zinc/41/56/16/1265415616.db2.gz PUGUCHRUWHWZCY-UUASQNMZSA-N 0 0 341.392 2.962 10 10 EFCERN CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CCO1 ZINC001744977986 1248945171 /nfs/dbraw/zinc/94/51/71/1248945171.db2.gz WZDACSHPMHCWPL-GOSISDBHSA-N 0 0 343.475 2.624 10 10 EFCERN CCCn1c([C@H](C)OCCOC)nnc1N(C)Cc1ccccc1O ZINC001745655195 1250004246 /nfs/dbraw/zinc/00/42/46/1250004246.db2.gz WISBQRUNOSRSPU-AWEZNQCLSA-N 0 0 348.447 2.754 10 10 EFCERN c1c(CNCc2ccc(N3CCSCC3)cc2)nn2c1CCC2 ZINC000850034821 1250234503 /nfs/dbraw/zinc/23/45/03/1250234503.db2.gz QOIKWGWMZSOYAS-UHFFFAOYSA-N 0 0 328.485 2.672 10 10 EFCERN C[C@@H](NCc1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000850076809 1250265692 /nfs/dbraw/zinc/26/56/92/1250265692.db2.gz DCBXJTBJUYDKBR-OAHLLOKOSA-N 0 0 341.459 2.691 10 10 EFCERN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC001687155623 1247863523 /nfs/dbraw/zinc/86/35/23/1247863523.db2.gz SCUODLFMKLSKSF-NVXWUHKLSA-N 0 0 345.487 2.978 10 10 EFCERN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001687155622 1247863742 /nfs/dbraw/zinc/86/37/42/1247863742.db2.gz SCUODLFMKLSKSF-DOTOQJQBSA-N 0 0 345.487 2.978 10 10 EFCERN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000850383334 1250455738 /nfs/dbraw/zinc/45/57/38/1250455738.db2.gz BOSHMNZJIYUYRI-CZUORRHYSA-N 0 0 330.388 2.535 10 10 EFCERN COc1ccc(N2CC[C@H](N[C@@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000850488643 1250501067 /nfs/dbraw/zinc/50/10/67/1250501067.db2.gz OICHYTQEAPDKMT-QFBILLFUSA-N 0 0 349.438 2.771 10 10 EFCERN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485305 1250502594 /nfs/dbraw/zinc/50/25/94/1250502594.db2.gz DIYWGRHFUBWLKC-MRVPVSSYSA-N 0 0 342.277 2.960 10 10 EFCERN C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500002 1250510461 /nfs/dbraw/zinc/51/04/61/1250510461.db2.gz BVQJXJJIZFXFAH-NHYWBVRUSA-N 0 0 341.367 2.539 10 10 EFCERN Cc1cc(C(=O)OC[C@H]2CCC3(COC3)O2)c(C)n1-c1ccccn1 ZINC000922321959 1265529215 /nfs/dbraw/zinc/52/92/15/1265529215.db2.gz BOURRNQITJNMHU-OAHLLOKOSA-N 0 0 342.395 2.594 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CCN4)C2)cc1 ZINC000851639907 1251160282 /nfs/dbraw/zinc/16/02/82/1251160282.db2.gz MXSYWSRDVFEDSZ-MRXNPFEDSA-N 0 0 337.423 2.672 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(N)c3)C2)cc1 ZINC000851639768 1251162238 /nfs/dbraw/zinc/16/22/38/1251162238.db2.gz LIJQHWLWUXMTDO-OAHLLOKOSA-N 0 0 325.412 2.595 10 10 EFCERN CC[C@H](CNC(=O)[C@@H](C)CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001746115321 1251560255 /nfs/dbraw/zinc/56/02/55/1251560255.db2.gz ZSNGKJHFTIYPOI-WCQYABFASA-N 0 0 347.419 2.520 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000921526763 1257012289 /nfs/dbraw/zinc/01/22/89/1257012289.db2.gz JBQXPDWDWVKFCH-IYOUNJFTSA-N 0 0 326.371 2.916 10 10 EFCERN CN(C)c1ccc(CNCc2nc(Br)c[nH]2)cc1F ZINC000921623259 1257778535 /nfs/dbraw/zinc/77/85/35/1257778535.db2.gz IWQQEIBRQSZGDD-UHFFFAOYSA-N 0 0 327.201 2.667 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(OC)CCSC1 ZINC000925360238 1266260282 /nfs/dbraw/zinc/26/02/82/1266260282.db2.gz HDVUPBCPSVPLNP-KRWDZBQOSA-N 0 0 338.473 2.836 10 10 EFCERN Oc1ccc(Br)cc1CN1CCO[C@]2(CCSC2)C1 ZINC000843418067 1260250474 /nfs/dbraw/zinc/25/04/74/1260250474.db2.gz PKFCEAWUDHPOKJ-CQSZACIVSA-N 0 0 344.274 2.863 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2F)cc1 ZINC000799999071 1261116604 /nfs/dbraw/zinc/11/66/04/1261116604.db2.gz CFUUSWJNBNIZGX-VAWYXSNFSA-N 0 0 334.416 2.982 10 10 EFCERN C[C@H]1[C@H](C(F)(F)F)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584539 1278198389 /nfs/dbraw/zinc/19/83/89/1278198389.db2.gz OJISEOGWCONCOX-SWLSCSKDSA-N 0 0 343.393 2.642 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCSCC2)cc1 ZINC001136914097 1278215072 /nfs/dbraw/zinc/21/50/72/1278215072.db2.gz LEXSVLOJXXYKOY-UHFFFAOYSA-N 0 0 344.436 2.832 10 10 EFCERN O=C(NCc1ccc2c(n1)CCCC2)NCc1c(O)cccc1F ZINC000922215255 1264975566 /nfs/dbraw/zinc/97/55/66/1264975566.db2.gz ZOYBWTKTDQJREW-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN COC(=O)C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC2(CCC2)C1 ZINC000824670019 1278239078 /nfs/dbraw/zinc/23/90/78/1278239078.db2.gz TUXBSPAFKDEXNF-UHFFFAOYSA-N 0 0 348.418 2.631 10 10 EFCERN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726402 1278264867 /nfs/dbraw/zinc/26/48/67/1278264867.db2.gz LPGJQSAHYTXHNJ-ZDUSSCGKSA-N 0 0 336.176 2.665 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000922695110 1266619662 /nfs/dbraw/zinc/61/96/62/1266619662.db2.gz LWDNAPKEJLYVFS-AAEUAGOBSA-N 0 0 334.294 2.890 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000922731034 1266700220 /nfs/dbraw/zinc/70/02/20/1266700220.db2.gz NOIOCRPLIFFUEZ-GUYCJALGSA-N 0 0 345.374 2.646 10 10 EFCERN O=C(NCCCSc1nccs1)[C@@H]1COc2ccccc2C1 ZINC000733972151 1266796364 /nfs/dbraw/zinc/79/63/64/1266796364.db2.gz AQFVPGHKIKUBGZ-ZDUSSCGKSA-N 0 0 334.466 2.993 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000734468301 1266976024 /nfs/dbraw/zinc/97/60/24/1266976024.db2.gz UBDOQSONQNEDRC-UHFFFAOYSA-N 0 0 346.862 2.862 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)cc1C ZINC000734501567 1266992907 /nfs/dbraw/zinc/99/29/07/1266992907.db2.gz GWJUOAQKPNJKGY-UHFFFAOYSA-N 0 0 336.432 2.987 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(F)ccn2)cc1 ZINC000824854708 1278314932 /nfs/dbraw/zinc/31/49/32/1278314932.db2.gz BXFDZILFTVJJPU-UHFFFAOYSA-N 0 0 332.379 2.829 10 10 EFCERN Cc1cc(C(=O)NCC[C@H](O)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000735832343 1267429298 /nfs/dbraw/zinc/42/92/98/1267429298.db2.gz QSKZCZDSQOGACK-ZDUSSCGKSA-N 0 0 341.333 2.532 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738440020 1268462796 /nfs/dbraw/zinc/46/27/96/1268462796.db2.gz KCVKREMHIBNMFL-UHFFFAOYSA-N 0 0 348.240 2.774 10 10 EFCERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1 ZINC000825202171 1278461611 /nfs/dbraw/zinc/46/16/11/1278461611.db2.gz PNCBVIHWJSNTRX-ROUUACIJSA-N 0 0 336.501 2.684 10 10 EFCERN COc1ccc(O)c(CNc2ccc(-n3nc(C)cc3C)nn2)c1 ZINC000737410334 1269219451 /nfs/dbraw/zinc/21/94/51/1269219451.db2.gz GJTWYWNNGKYBCI-UHFFFAOYSA-N 0 0 325.372 2.605 10 10 EFCERN CCN1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1=O ZINC000791995733 1278494573 /nfs/dbraw/zinc/49/45/73/1278494573.db2.gz LWUCSOSSNJYBQI-UHFFFAOYSA-N 0 0 325.412 2.664 10 10 EFCERN COc1ccc(N2CCN(Cc3c(O)cccc3Cl)CC2)nc1 ZINC000825305088 1278498299 /nfs/dbraw/zinc/49/82/99/1278498299.db2.gz CPZBAGHMMAXUIY-UHFFFAOYSA-N 0 0 333.819 2.771 10 10 EFCERN CN(C)c1ccc(CNc2cnn(Cc3ccccc3)c(=O)c2)cc1 ZINC000741746426 1269675983 /nfs/dbraw/zinc/67/59/83/1269675983.db2.gz IMRLSIRJGHMVQD-UHFFFAOYSA-N 0 0 334.423 2.970 10 10 EFCERN Cc1ncc(Cl)c(C(=O)NCCCSc2nccs2)n1 ZINC000742075030 1269854263 /nfs/dbraw/zinc/85/42/63/1269854263.db2.gz QDUPFNZLWRPBRF-UHFFFAOYSA-N 0 0 328.850 2.807 10 10 EFCERN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000742391762 1270019714 /nfs/dbraw/zinc/01/97/14/1270019714.db2.gz MEPBVMWEZDPDSZ-WLTAIBSBSA-N 0 0 329.227 2.798 10 10 EFCERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000743437083 1270588868 /nfs/dbraw/zinc/58/88/68/1270588868.db2.gz BRFNHAHJFYOKKE-LBPRGKRZSA-N 0 0 333.409 2.905 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1 ZINC000825497724 1278571889 /nfs/dbraw/zinc/57/18/89/1278571889.db2.gz ODFSHNYBKLWNAG-UHFFFAOYSA-N 0 0 343.427 2.876 10 10 EFCERN COc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1O ZINC000743718592 1270719585 /nfs/dbraw/zinc/71/95/85/1270719585.db2.gz HDDIDCXMQDPCRI-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN COc1ccc(N2CCN(CN3C[C@@H](CC(C)C)CC3=O)CC2)cc1 ZINC000744431192 1271042170 /nfs/dbraw/zinc/04/21/70/1271042170.db2.gz FZOXQNAMTPJNBO-KRWDZBQOSA-N 0 0 345.487 2.669 10 10 EFCERN CCOc1ccc(CN[C@@H](C(=O)OC)c2cccc(O)c2)c(O)c1 ZINC000792180074 1278620497 /nfs/dbraw/zinc/62/04/97/1278620497.db2.gz KZKKQUGPSURGRZ-QGZVFWFLSA-N 0 0 331.368 2.500 10 10 EFCERN Cc1cc(Br)c(O)c(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792192801 1278634808 /nfs/dbraw/zinc/63/48/08/1278634808.db2.gz QNMRPGOAKOHJHW-QEAOQQLJSA-N 0 0 346.290 2.804 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCc2nc3cc(C)ccc3[nH]2)c1 ZINC000745819474 1271629178 /nfs/dbraw/zinc/62/91/78/1271629178.db2.gz CZEXBPCWGQBNLE-UHFFFAOYSA-N 0 0 340.383 2.585 10 10 EFCERN CN(C)c1ccc2c(c1)CN(C(=O)Cc1cccc(F)c1)CCO2 ZINC000581789077 1271767515 /nfs/dbraw/zinc/76/75/15/1271767515.db2.gz LGNLEUPSTFQESN-UHFFFAOYSA-N 0 0 328.387 2.855 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000746167823 1271873149 /nfs/dbraw/zinc/87/31/49/1271873149.db2.gz JJBAXIUXQAWDII-JKSUJKDBSA-N 0 0 339.439 2.899 10 10 EFCERN COC(=O)COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1 ZINC001169187039 1272728705 /nfs/dbraw/zinc/72/87/05/1272728705.db2.gz BONFJOPOAIJHAV-UHFFFAOYSA-N 0 0 343.499 2.829 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000844103961 1278755906 /nfs/dbraw/zinc/75/59/06/1278755906.db2.gz TXBGDTRARVYWDL-HNNXBMFYSA-N 0 0 325.412 2.663 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000844125443 1278762466 /nfs/dbraw/zinc/76/24/66/1278762466.db2.gz CELNYIDFGUSNRH-PTENIASDSA-N 0 0 347.411 2.738 10 10 EFCERN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(=O)OC(C)(C)C ZINC000844148123 1278774577 /nfs/dbraw/zinc/77/45/77/1278774577.db2.gz WJWZAUVEGGJAPJ-PWSUYJOCSA-N 0 0 325.430 2.894 10 10 EFCERN C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000844212398 1278815284 /nfs/dbraw/zinc/81/52/84/1278815284.db2.gz IJNPCCKOKGCTRT-RBWDJNPFSA-N 0 0 345.399 2.613 10 10 EFCERN C[C@@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000785495953 1275099439 /nfs/dbraw/zinc/09/94/39/1275099439.db2.gz SMEZKINUPFVKQH-SUMWQHHRSA-N 0 0 339.457 2.644 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000804171945 1275191344 /nfs/dbraw/zinc/19/13/44/1275191344.db2.gz MDGLPJUHWNDJLN-MRXNPFEDSA-N 0 0 347.459 2.687 10 10 EFCERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000804175620 1275245006 /nfs/dbraw/zinc/24/50/06/1275245006.db2.gz YXZANOOLKPSBCP-XJKSGUPXSA-N 0 0 347.459 2.939 10 10 EFCERN O=C(COC(=O)c1coc(C2CCCC2)n1)c1ccc(O)c(O)c1 ZINC000786655878 1275464096 /nfs/dbraw/zinc/46/40/96/1275464096.db2.gz RSRWVZWMFXJVKB-UHFFFAOYSA-N 0 0 331.324 2.783 10 10 EFCERN CO[C@@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786851784 1275556779 /nfs/dbraw/zinc/55/67/79/1275556779.db2.gz QZTJULBZLIWUAF-AWEZNQCLSA-N 0 0 347.381 2.861 10 10 EFCERN COC(=O)CC1(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCCC1 ZINC000787252454 1275724016 /nfs/dbraw/zinc/72/40/16/1275724016.db2.gz JPLJJHDXCXDROR-ZDUSSCGKSA-N 0 0 349.427 2.659 10 10 EFCERN Cc1ccc(NCc2cc(F)ccc2O)cc1C(=O)N1CCOCC1 ZINC000787304889 1275751423 /nfs/dbraw/zinc/75/14/23/1275751423.db2.gz LWYNAQLUDXJSAA-UHFFFAOYSA-N 0 0 344.386 2.924 10 10 EFCERN CO[C@H](C(=O)NCCCSc1nccs1)c1ccc(O)cc1 ZINC000787349510 1275764559 /nfs/dbraw/zinc/76/45/59/1275764559.db2.gz NEZLEGDFDHMQKK-ZDUSSCGKSA-N 0 0 338.454 2.835 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000787409081 1275778613 /nfs/dbraw/zinc/77/86/13/1275778613.db2.gz ZVLSVCVZSDBKEG-BCDXTJNWSA-N 0 0 329.444 2.715 10 10 EFCERN O=C(NCc1ccccc1O)c1cnn(-c2ccncc2)c1C(F)F ZINC000787446903 1275781784 /nfs/dbraw/zinc/78/17/84/1275781784.db2.gz TXPMSBGVEHGOFV-UHFFFAOYSA-N 0 0 344.321 2.841 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000787547752 1275798741 /nfs/dbraw/zinc/79/87/41/1275798741.db2.gz SXTGLNUNGSEKSJ-GFCCVEGCSA-N 0 0 340.395 2.998 10 10 EFCERN CN(C)C(=O)C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000788267020 1276112136 /nfs/dbraw/zinc/11/21/36/1276112136.db2.gz RKWLOWWLMCMLDZ-UHFFFAOYSA-N 0 0 343.471 2.504 10 10 EFCERN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000788489931 1276197672 /nfs/dbraw/zinc/19/76/72/1276197672.db2.gz RIFZUGBGNTYRGK-UHFFFAOYSA-N 0 0 338.454 2.981 10 10 EFCERN CC[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccccc1O ZINC000788606566 1276238229 /nfs/dbraw/zinc/23/82/29/1276238229.db2.gz AEIIORRFBVWPQE-GOSISDBHSA-N 0 0 339.439 2.799 10 10 EFCERN CCCNC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025289 1276343518 /nfs/dbraw/zinc/34/35/18/1276343518.db2.gz FDRRGSYARFPRPJ-UHFFFAOYSA-N 0 0 345.487 2.942 10 10 EFCERN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968003 1276410181 /nfs/dbraw/zinc/41/01/81/1276410181.db2.gz FVOXEAABULUDPO-RVBZMBCESA-N 0 0 331.229 2.942 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C(C)(C)OC)C2)cc1 ZINC000922951474 1276393949 /nfs/dbraw/zinc/39/39/49/1276393949.db2.gz XJGHIMFPRKIUMN-GJZGRUSLSA-N 0 0 349.475 2.634 10 10 EFCERN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969705 1276411910 /nfs/dbraw/zinc/41/19/10/1276411910.db2.gz YFOFFGCUZGKGNC-ZDMBXUJBSA-N 0 0 331.229 2.942 10 10 EFCERN CN(C)c1ccc(OCc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000818083702 1276457813 /nfs/dbraw/zinc/45/78/13/1276457813.db2.gz WSCPWAIDRRFBNC-UHFFFAOYSA-N 0 0 340.470 2.643 10 10 EFCERN C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631675 1276541822 /nfs/dbraw/zinc/54/18/22/1276541822.db2.gz MPEVWRJUQVYKSP-RNCFNFMXSA-N 0 0 328.206 2.840 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)NCCOc2ncccc2F)cc1 ZINC000746800343 1276648132 /nfs/dbraw/zinc/64/81/32/1276648132.db2.gz FZAIDLPQIZKFFP-UHFFFAOYSA-N 0 0 346.406 2.507 10 10 EFCERN CC[C@H](c1nccs1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168138 1276650447 /nfs/dbraw/zinc/65/04/47/1276650447.db2.gz LSVSDICIFYSHAX-GFCCVEGCSA-N 0 0 331.397 2.764 10 10 EFCERN O=C(/C=C/C1CC1)Nc1ccc(O)c(CNC(=O)/C=C\C2CC2)c1 ZINC000923121295 1276827558 /nfs/dbraw/zinc/82/75/58/1276827558.db2.gz XWQIMOLIGREQAN-VTBWALSUSA-N 0 0 326.396 2.879 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000819591105 1276833309 /nfs/dbraw/zinc/83/33/09/1276833309.db2.gz ONJQBKIZPHFOAJ-KCPJHIHWSA-N 0 0 342.361 2.836 10 10 EFCERN CCc1nc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1 ZINC000819591709 1276835570 /nfs/dbraw/zinc/83/55/70/1276835570.db2.gz VXADUZVLULLRFE-AWEZNQCLSA-N 0 0 343.427 2.810 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1csc(C)c1 ZINC000819698552 1276877698 /nfs/dbraw/zinc/87/76/98/1276877698.db2.gz NHPJDJPRTJQMTM-UHFFFAOYSA-N 0 0 333.409 2.968 10 10 EFCERN C[C@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000819974638 1276956834 /nfs/dbraw/zinc/95/68/34/1276956834.db2.gz QIWDBILBMAEBSS-MRXNPFEDSA-N 0 0 342.439 2.953 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000819973778 1276956979 /nfs/dbraw/zinc/95/69/79/1276956979.db2.gz DARBKKGCQRJDGZ-QRQLOZEOSA-N 0 0 328.456 2.918 10 10 EFCERN C[C@@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000819974637 1276957189 /nfs/dbraw/zinc/95/71/89/1276957189.db2.gz QIWDBILBMAEBSS-INIZCTEOSA-N 0 0 342.439 2.953 10 10 EFCERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000819979226 1276959283 /nfs/dbraw/zinc/95/92/83/1276959283.db2.gz SNXOXMKHLOYNIS-MJGOQNOKSA-N 0 0 346.471 2.687 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC(CC(F)F)C2)c([N+](=O)[O-])c1 ZINC000819951002 1276966334 /nfs/dbraw/zinc/96/63/34/1276966334.db2.gz XOMGSCUNLHKUKH-HWKANZROSA-N 0 0 326.299 2.872 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000819995410 1276987498 /nfs/dbraw/zinc/98/74/98/1276987498.db2.gz ATPGGOAZUVLVJG-GXTWGEPZSA-N 0 0 329.404 2.611 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000819995413 1276987524 /nfs/dbraw/zinc/98/75/24/1276987524.db2.gz ATPGGOAZUVLVJG-TZMCWYRMSA-N 0 0 329.404 2.611 10 10 EFCERN Cc1cccc(C)c1C(=O)Nc1cccc(N2CCO[C@@H](CO)C2)c1 ZINC000585087439 1277110911 /nfs/dbraw/zinc/11/09/11/1277110911.db2.gz IFVHHFFHRAMLCD-GOSISDBHSA-N 0 0 340.423 2.753 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001136336318 1277152337 /nfs/dbraw/zinc/15/23/37/1277152337.db2.gz LJIYUZWWCDBSQA-QFBILLFUSA-N 0 0 346.471 2.675 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)cc1 ZINC000923188237 1277176857 /nfs/dbraw/zinc/17/68/57/1277176857.db2.gz QNUMCPBBWISFIQ-DNVCBOLYSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCCCO3)C2)cc1 ZINC000923188241 1277176901 /nfs/dbraw/zinc/17/69/01/1277176901.db2.gz QNUMCPBBWISFIQ-KXBFYZLASA-N 0 0 347.459 2.532 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2cccnc21 ZINC000820571942 1277232464 /nfs/dbraw/zinc/23/24/64/1277232464.db2.gz URJCVVVLBWUEOC-ZDUSSCGKSA-N 0 0 347.212 2.896 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000103529721 1279030049 /nfs/dbraw/zinc/03/00/49/1279030049.db2.gz DQTJAQVFYCKTCP-NSHDSACASA-N 0 0 339.351 2.942 10 10 EFCERN Cc1ccn2cc(CNC(=O)c3ccc(N=NC(N)=O)cc3)nc2c1 ZINC001136364865 1277277858 /nfs/dbraw/zinc/27/78/58/1277277858.db2.gz ANGWJYNQSQGRIZ-UHFFFAOYSA-N 0 0 336.355 2.735 10 10 EFCERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136401203 1277391205 /nfs/dbraw/zinc/39/12/05/1277391205.db2.gz KZYWSQWNWYMYEM-UHFFFAOYSA-N 0 0 344.367 2.986 10 10 EFCERN CN(C)c1ccc(CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C2CC2)cc1 ZINC000821032498 1277405928 /nfs/dbraw/zinc/40/59/28/1277405928.db2.gz CYPQMHNFMSFVRG-OAHLLOKOSA-N 0 0 338.455 2.772 10 10 EFCERN CN(C)c1ccc(CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C2CC2)cc1 ZINC000821032497 1277406247 /nfs/dbraw/zinc/40/62/47/1277406247.db2.gz CYPQMHNFMSFVRG-HNNXBMFYSA-N 0 0 338.455 2.772 10 10 EFCERN O=C(CN1CCOCC1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000790617663 1277699366 /nfs/dbraw/zinc/69/93/66/1277699366.db2.gz GLDDTSZLKISRMH-UHFFFAOYSA-N 0 0 338.367 2.899 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C(F)(F)C2CCOCC2)c1 ZINC000790787838 1277774126 /nfs/dbraw/zinc/77/41/26/1277774126.db2.gz OLRSURIGRLKIJP-SNVBAGLBSA-N 0 0 329.343 2.640 10 10 EFCERN C[C@H](NC(=O)C(F)(F)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000790905599 1277860968 /nfs/dbraw/zinc/86/09/68/1277860968.db2.gz CWWLCRSBYBSEPD-LBPRGKRZSA-N 0 0 326.387 2.992 10 10 EFCERN CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815114575 1287310447 /nfs/dbraw/zinc/31/04/47/1287310447.db2.gz PNEXAKDSQNEYHZ-KFKAGJAMSA-N 0 0 346.471 2.906 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(O)c1 ZINC000792788453 1279152358 /nfs/dbraw/zinc/15/23/58/1279152358.db2.gz ZIGWHMSPDJRHCN-NSHDSACASA-N 0 0 344.367 2.690 10 10 EFCERN CC[C@@H](C)CC[C@@H](O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000792800028 1279160265 /nfs/dbraw/zinc/16/02/65/1279160265.db2.gz CXVVJOASGXUTMF-SJLPKXTDSA-N 0 0 348.487 2.921 10 10 EFCERN O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccc(O)c(O)c1 ZINC000792808713 1279177840 /nfs/dbraw/zinc/17/78/40/1279177840.db2.gz UWLUKVQHMPTCBX-UHFFFAOYSA-N 0 0 346.726 2.667 10 10 EFCERN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1 ZINC000792826987 1279186919 /nfs/dbraw/zinc/18/69/19/1279186919.db2.gz LNICPJZBGZMNHD-GFCCVEGCSA-N 0 0 343.393 2.824 10 10 EFCERN CCN1C(=O)/C(=C/c2cnnn2Cc2ccccc2)SC1=S ZINC000792855013 1279196281 /nfs/dbraw/zinc/19/62/81/1279196281.db2.gz MCZMXTXXPATGKM-JYRVWZFOSA-N 0 0 330.438 2.548 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1 ZINC000844776428 1279245167 /nfs/dbraw/zinc/24/51/67/1279245167.db2.gz BJYPOMXACKDFEM-SFHVURJKSA-N 0 0 331.460 2.757 10 10 EFCERN C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC000815162847 1287335758 /nfs/dbraw/zinc/33/57/58/1287335758.db2.gz JODFICUHFFTWAL-STQMWFEESA-N 0 0 348.402 2.741 10 10 EFCERN COCc1ccnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000844836323 1279264232 /nfs/dbraw/zinc/26/42/32/1279264232.db2.gz YBKPRUXXSIIOEX-UHFFFAOYSA-N 0 0 332.379 2.755 10 10 EFCERN Cc1cc(C)c(CNC(=O)NCc2cc(Cl)ccc2O)c(=O)[nH]1 ZINC000844864890 1279298922 /nfs/dbraw/zinc/29/89/22/1279298922.db2.gz BNNIVYXCGPVYCK-UHFFFAOYSA-N 0 0 335.791 2.762 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2CCc3ccccc3C2)c(O)c1 ZINC000792957522 1279304537 /nfs/dbraw/zinc/30/45/37/1279304537.db2.gz QZOFXGKJYJFCKG-MRXNPFEDSA-N 0 0 326.396 2.758 10 10 EFCERN Cn1cc(/C=C\C(=O)N2CCCc3nc(Br)ccc32)cn1 ZINC000844851137 1279309439 /nfs/dbraw/zinc/30/94/39/1279309439.db2.gz JSHUZRAXYKDEJS-DAXSKMNVSA-N 0 0 347.216 2.570 10 10 EFCERN O=C(/C=C\c1cncc(F)c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001144338777 1279452621 /nfs/dbraw/zinc/45/26/21/1279452621.db2.gz SATODLVOXHPBIU-DSYXLKISSA-N 0 0 330.334 2.571 10 10 EFCERN CCc1ncc(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)o1 ZINC000845240071 1279513011 /nfs/dbraw/zinc/51/30/11/1279513011.db2.gz IAWFHJXLWLMZBQ-UHFFFAOYSA-N 0 0 346.431 2.523 10 10 EFCERN COc1cccc(CNC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000845411538 1279603264 /nfs/dbraw/zinc/60/32/64/1279603264.db2.gz REEWQTAZIKJFPV-LSDHHAIUSA-N 0 0 330.787 2.905 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H]1n1cccn1 ZINC000815166306 1287361892 /nfs/dbraw/zinc/36/18/92/1287361892.db2.gz AHUPWXMXGQWKIX-JGGQBBKZSA-N 0 0 339.798 2.890 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(=O)OC(C)(C)C)CC2)c1 ZINC000845834303 1279885248 /nfs/dbraw/zinc/88/52/48/1279885248.db2.gz SHXYOADNTRNKQF-LLVKDONJSA-N 0 0 335.400 2.700 10 10 EFCERN Cc1cc(O)c(CN2CCn3c(CC4CC4)nnc3C2)c(Cl)c1 ZINC000846013694 1279976906 /nfs/dbraw/zinc/97/69/06/1279976906.db2.gz LUUWMUNRVIMNKC-UHFFFAOYSA-N 0 0 332.835 2.914 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000846099113 1280033096 /nfs/dbraw/zinc/03/30/96/1280033096.db2.gz XRUXFXWPFPVYFQ-ALCCZGGFSA-N 0 0 342.370 2.993 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000846099114 1280034256 /nfs/dbraw/zinc/03/42/56/1280034256.db2.gz XRUXFXWPFPVYFQ-FNORWQNLSA-N 0 0 342.370 2.993 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1cccs1)cc2=O ZINC000846229980 1280077356 /nfs/dbraw/zinc/07/73/56/1280077356.db2.gz CCJPMWYFWNYSRU-LBPRGKRZSA-N 0 0 344.396 2.532 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000815259745 1287396158 /nfs/dbraw/zinc/39/61/58/1287396158.db2.gz YZGGRWMHCSGNSK-RTBURBONSA-N 0 0 346.471 2.985 10 10 EFCERN CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846247762 1280100075 /nfs/dbraw/zinc/10/00/75/1280100075.db2.gz CYKNKZRCEJSWNV-AWEZNQCLSA-N 0 0 346.431 2.924 10 10 EFCERN COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC001144773858 1280108894 /nfs/dbraw/zinc/10/88/94/1280108894.db2.gz PNGJBXSJJRVLRJ-CALCHBBNSA-N 0 0 344.455 2.738 10 10 EFCERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846330993 1280114247 /nfs/dbraw/zinc/11/42/47/1280114247.db2.gz NFFXBZOYSZFNGZ-IBAJTVCLSA-N 0 0 347.411 2.832 10 10 EFCERN Cc1cc(C(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1cccc(C)c1 ZINC000846439965 1280153560 /nfs/dbraw/zinc/15/35/60/1280153560.db2.gz BYRQEAXAAVVWEB-FQEVSTJZSA-N 0 0 342.439 2.674 10 10 EFCERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794378375 1280161663 /nfs/dbraw/zinc/16/16/63/1280161663.db2.gz FQVOKOUCVBOSGP-SJORKVTESA-N 0 0 327.380 2.829 10 10 EFCERN CCCOc1nc(C)ccc1C(=O)NCc1ccc(OC)cc1O ZINC000794388273 1280167713 /nfs/dbraw/zinc/16/77/13/1280167713.db2.gz UHNJGXYBKOXRRR-UHFFFAOYSA-N 0 0 330.384 2.823 10 10 EFCERN Cc1cc(C(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000846448440 1280170483 /nfs/dbraw/zinc/17/04/83/1280170483.db2.gz QUYRBOVKYIUNBH-LJQANCHMSA-N 0 0 346.402 2.505 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)c2ncccc2F)cc1 ZINC000846442725 1280181911 /nfs/dbraw/zinc/18/19/11/1280181911.db2.gz VEUVVDSODRANPM-CQSZACIVSA-N 0 0 345.418 2.928 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nn2c1OCCC2 ZINC000822495483 1289015820 /nfs/dbraw/zinc/01/58/20/1289015820.db2.gz HXPBGFHJPBPGOH-UHFFFAOYSA-N 0 0 340.427 2.504 10 10 EFCERN COc1ccc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)nc1 ZINC000846686970 1280411733 /nfs/dbraw/zinc/41/17/33/1280411733.db2.gz NDTORBAZBCNALW-UHFFFAOYSA-N 0 0 325.412 2.621 10 10 EFCERN O=C(NCCC1(F)CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000804975075 1280417927 /nfs/dbraw/zinc/41/79/27/1280417927.db2.gz CRYBRIAZILPTSR-UHFFFAOYSA-N 0 0 335.423 2.605 10 10 EFCERN COCc1ccccc1CS(=O)(=O)N(C)Cc1ccccc1O ZINC000805012314 1280419171 /nfs/dbraw/zinc/41/91/71/1280419171.db2.gz NITGVPWKFIUMSB-UHFFFAOYSA-N 0 0 335.425 2.500 10 10 EFCERN O=C(NCc1cscn1)NCc1cc(Br)ccc1O ZINC000805028307 1280424182 /nfs/dbraw/zinc/42/41/82/1280424182.db2.gz BWGIDSCWRAULSH-UHFFFAOYSA-N 0 0 342.218 2.611 10 10 EFCERN CN(Cc1ccccc1O)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805012556 1280428783 /nfs/dbraw/zinc/42/87/83/1280428783.db2.gz OQWUQPAUVOLVNJ-UHFFFAOYSA-N 0 0 346.330 2.627 10 10 EFCERN COC[C@H](NC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805150883 1280460718 /nfs/dbraw/zinc/46/07/18/1280460718.db2.gz KKFNIBVLRSSUEZ-LBPRGKRZSA-N 0 0 345.237 2.625 10 10 EFCERN C[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805184491 1280472773 /nfs/dbraw/zinc/47/27/73/1280472773.db2.gz NYSQRIDNVHPETQ-NSHDSACASA-N 0 0 332.231 2.592 10 10 EFCERN C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805184489 1280473088 /nfs/dbraw/zinc/47/30/88/1280473088.db2.gz NYSQRIDNVHPETQ-LLVKDONJSA-N 0 0 332.231 2.592 10 10 EFCERN COc1c(C)cccc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000846789597 1280489821 /nfs/dbraw/zinc/48/98/21/1280489821.db2.gz QYESPJDHPQCGIK-UHFFFAOYSA-N 0 0 340.379 2.674 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC2(CCCC2)O1 ZINC000846790559 1280491891 /nfs/dbraw/zinc/49/18/91/1280491891.db2.gz UWXMYEIMESBWLQ-OAHLLOKOSA-N 0 0 344.411 2.648 10 10 EFCERN COC1(CNC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000805273783 1280501017 /nfs/dbraw/zinc/50/10/17/1280501017.db2.gz YTVYXZJOXSSSNJ-UHFFFAOYSA-N 0 0 343.221 2.523 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C(C)=C\c3ccccn3)CC2)cc1 ZINC000846768758 1280504919 /nfs/dbraw/zinc/50/49/19/1280504919.db2.gz RGHRVSRVJWMPEO-NXVVXOECSA-N 0 0 337.423 2.842 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C3CCC3)CC1)cc2=O ZINC000872163067 1287455604 /nfs/dbraw/zinc/45/56/04/1287455604.db2.gz UZYYTQAYNKPKIS-CYBMUJFWSA-N 0 0 344.415 2.535 10 10 EFCERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000806325987 1281041019 /nfs/dbraw/zinc/04/10/19/1281041019.db2.gz WSPBAOPQUBSKHK-BXUZGUMPSA-N 0 0 345.365 2.614 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cccc2ccccc21 ZINC001146911228 1281067348 /nfs/dbraw/zinc/06/73/48/1281067348.db2.gz TVNKRJPTMHUZLI-IBGZPJMESA-N 0 0 337.375 2.643 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cccc2ccccc21 ZINC001146911229 1281067516 /nfs/dbraw/zinc/06/75/16/1281067516.db2.gz TVNKRJPTMHUZLI-LJQANCHMSA-N 0 0 337.375 2.643 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCCC[C@H]1CCO ZINC000806846529 1281156582 /nfs/dbraw/zinc/15/65/82/1281156582.db2.gz RUDIZNYBGKXXGU-IBGZPJMESA-N 0 0 343.471 2.899 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@@]2(C1)CCCOC2 ZINC000806958124 1281181420 /nfs/dbraw/zinc/18/14/20/1281181420.db2.gz DUHRDCWKGCXSEC-OAHLLOKOSA-N 0 0 341.502 2.837 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)c1cnn(C)c1 ZINC001147484814 1281194513 /nfs/dbraw/zinc/19/45/13/1281194513.db2.gz PRGFMAILWSRCTA-UHFFFAOYSA-N 0 0 336.395 2.917 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000807185202 1281247649 /nfs/dbraw/zinc/24/76/49/1281247649.db2.gz KQSZRMNXWDFDRE-PJXYFTJBSA-N 0 0 325.206 2.752 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000808092837 1281533349 /nfs/dbraw/zinc/53/33/49/1281533349.db2.gz ALSAHHYBVZRFNC-UHFFFAOYSA-N 0 0 346.305 2.617 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000808095257 1281534825 /nfs/dbraw/zinc/53/48/25/1281534825.db2.gz BEIWEOZBVHPLRY-UHFFFAOYSA-N 0 0 342.395 2.994 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc2nc[nH]c21 ZINC000808095495 1281535393 /nfs/dbraw/zinc/53/53/93/1281535393.db2.gz HFLKTDLIIGAKON-UHFFFAOYSA-N 0 0 334.347 2.823 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(OC)OC)c2C)cc1 ZINC000808153591 1281564805 /nfs/dbraw/zinc/56/48/05/1281564805.db2.gz DIDHAGQWTKIEIT-ZDUSSCGKSA-N 0 0 346.427 2.840 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000808503980 1281743174 /nfs/dbraw/zinc/74/31/74/1281743174.db2.gz XRGVZPAKYPUOKO-UHFFFAOYSA-N 0 0 331.368 2.520 10 10 EFCERN CC(=O)C(=O)COC(=O)CCCCc1ccc(Br)cc1 ZINC000808506249 1281744360 /nfs/dbraw/zinc/74/43/60/1281744360.db2.gz XYUIWWUZDHCOOV-UHFFFAOYSA-N 0 0 341.201 2.863 10 10 EFCERN CCCOc1ccc(-c2nc(C(=O)OCC(=O)C(C)=O)cs2)cc1 ZINC000808511521 1281748505 /nfs/dbraw/zinc/74/85/05/1281748505.db2.gz BQDYCOWTWWHFMH-UHFFFAOYSA-N 0 0 347.392 2.914 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000808539655 1281768684 /nfs/dbraw/zinc/76/86/84/1281768684.db2.gz GKAQWPHUHSBVLZ-UHFFFAOYSA-N 0 0 332.249 2.577 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000808549953 1281777004 /nfs/dbraw/zinc/77/70/04/1281777004.db2.gz YCWNYOGDJVWWLW-UHFFFAOYSA-N 0 0 343.301 2.621 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC001148941944 1281816076 /nfs/dbraw/zinc/81/60/76/1281816076.db2.gz CKOIAEAJCCECJT-XJKSGUPXSA-N 0 0 347.436 2.817 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808730598 1281885135 /nfs/dbraw/zinc/88/51/35/1281885135.db2.gz YPBFZMXQBKLLLP-ABAIWWIYSA-N 0 0 345.370 2.972 10 10 EFCERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000809696385 1282381943 /nfs/dbraw/zinc/38/19/43/1282381943.db2.gz ILCRNRMXTHMRBM-XJKSGUPXSA-N 0 0 344.377 2.675 10 10 EFCERN Fc1cc(CN2CCOC[C@@H]2CC(F)F)ccc1N1CCOCC1 ZINC000809712420 1282420974 /nfs/dbraw/zinc/42/09/74/1282420974.db2.gz MOAMMAQHMMUQHF-AWEZNQCLSA-N 0 0 344.377 2.518 10 10 EFCERN Cc1c(NCc2cc(F)ccc2O)cccc1N1C(=O)N[C@H](C)C1=O ZINC000809786542 1282481304 /nfs/dbraw/zinc/48/13/04/1282481304.db2.gz DXCWCFJCOZPKDT-LLVKDONJSA-N 0 0 343.358 2.897 10 10 EFCERN CN(C)c1ccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000810000705 1282746301 /nfs/dbraw/zinc/74/63/01/1282746301.db2.gz KTZQLMZLQAKZES-LBPRGKRZSA-N 0 0 330.350 2.932 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048482 1282846607 /nfs/dbraw/zinc/84/66/07/1282846607.db2.gz WNJFHCHDJWYIGC-DLBZAZTESA-N 0 0 326.396 2.519 10 10 EFCERN COc1ncccc1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000810178768 1283007942 /nfs/dbraw/zinc/00/79/42/1283007942.db2.gz ZTCIZEHPSHHHCU-UHFFFAOYSA-N 0 0 337.217 2.891 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2CC(=O)CC3)c1 ZINC000810347376 1283168830 /nfs/dbraw/zinc/16/88/30/1283168830.db2.gz BTIMKXOLTOIXSW-GFCCVEGCSA-N 0 0 339.391 2.950 10 10 EFCERN Cc1cc(CNC(=O)c2cnc(N(C)C)cn2)c(C)n1-c1ccccc1 ZINC001132267388 1283222172 /nfs/dbraw/zinc/22/21/72/1283222172.db2.gz HUAMXGJCARJLAF-UHFFFAOYSA-N 0 0 349.438 2.880 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CCCSC1 ZINC000811522472 1284371654 /nfs/dbraw/zinc/37/16/54/1284371654.db2.gz ACOKRMBRVAYNHY-VIFPVBQESA-N 0 0 330.247 2.914 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812047344 1284836956 /nfs/dbraw/zinc/83/69/56/1284836956.db2.gz GXMCNLPDLDWAEW-HNAYVOBHSA-N 0 0 341.455 2.982 10 10 EFCERN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000812298954 1285062263 /nfs/dbraw/zinc/06/22/63/1285062263.db2.gz XHLHRIFNGVUBCB-HNNXBMFYSA-N 0 0 341.407 2.940 10 10 EFCERN CCC(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000812496043 1285180903 /nfs/dbraw/zinc/18/09/03/1285180903.db2.gz WRCWCSLWRGWQNS-UHFFFAOYSA-N 0 0 328.368 2.679 10 10 EFCERN COC[C@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000812574090 1285233116 /nfs/dbraw/zinc/23/31/16/1285233116.db2.gz CJNIBSGOJORRSS-VHSXEESVSA-N 0 0 330.222 2.690 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000747828350 1285498548 /nfs/dbraw/zinc/49/85/48/1285498548.db2.gz UFIWWEQNVPMXSJ-IAGOWNOFSA-N 0 0 331.460 2.711 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(C2CC2)C1 ZINC000813037325 1285605630 /nfs/dbraw/zinc/60/56/30/1285605630.db2.gz NFYPWBUBKNMASB-UHFFFAOYSA-N 0 0 331.485 2.791 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)N1CSCCSC1)c1ccccc1O ZINC001171722935 1285741253 /nfs/dbraw/zinc/74/12/53/1285741253.db2.gz GXEMCMVHEMBSJC-NEPJUHHUSA-N 0 0 326.487 2.655 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](O)Cc2ccccc2)c1 ZINC000813489169 1285946041 /nfs/dbraw/zinc/94/60/41/1285946041.db2.gz RAURHVRKZBZQAF-DZGCQCFKSA-N 0 0 329.396 2.572 10 10 EFCERN C[C@@H](NC(=O)C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000813525610 1285964369 /nfs/dbraw/zinc/96/43/69/1285964369.db2.gz WWGHXOBPTXNVQT-BEFAXECRSA-N 0 0 326.440 2.924 10 10 EFCERN Cc1ncc(/C=C/C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)s1 ZINC001133817726 1285993828 /nfs/dbraw/zinc/99/38/28/1285993828.db2.gz KPLMQVHVIQHCSC-NSCUHMNNSA-N 0 0 335.335 2.728 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000822598120 1289058744 /nfs/dbraw/zinc/05/87/44/1289058744.db2.gz GFAVYHAOXBVBSR-NVXWUHKLSA-N 0 0 342.443 2.679 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000822753570 1289099107 /nfs/dbraw/zinc/09/91/07/1289099107.db2.gz CVRUMTZOPOPFJS-MRXNPFEDSA-N 0 0 340.423 2.658 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000814722409 1286964863 /nfs/dbraw/zinc/96/48/63/1286964863.db2.gz XYLZTJRROVYKAT-QZTJIDSGSA-N 0 0 332.444 2.549 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000814722411 1286965483 /nfs/dbraw/zinc/96/54/83/1286965483.db2.gz XYLZTJRROVYKAT-ZWKOTPCHSA-N 0 0 332.444 2.549 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C(O)(c1ccccc1)c1ccccc1 ZINC001176747923 1288094174 /nfs/dbraw/zinc/09/41/74/1288094174.db2.gz FLTMIRZLFSNJGL-UHFFFAOYSA-N 0 0 349.386 2.650 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC001135642457 1288222536 /nfs/dbraw/zinc/22/25/36/1288222536.db2.gz HCRUJBDRKGFWKQ-KRWDZBQOSA-N 0 0 332.831 2.798 10 10 EFCERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000816653664 1288230442 /nfs/dbraw/zinc/23/04/42/1288230442.db2.gz CLFKGQWEXMAWRW-TZMCWYRMSA-N 0 0 342.233 2.976 10 10 EFCERN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000816653663 1288230633 /nfs/dbraw/zinc/23/06/33/1288230633.db2.gz CLFKGQWEXMAWRW-OCCSQVGLSA-N 0 0 342.233 2.976 10 10 EFCERN COC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC001177021731 1288231551 /nfs/dbraw/zinc/23/15/51/1288231551.db2.gz FAVFEGFRBMAFLP-QGZVFWFLSA-N 0 0 331.412 2.718 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]1n1cccn1 ZINC000816673431 1288239545 /nfs/dbraw/zinc/23/95/45/1288239545.db2.gz YTGRAYQVUGAWNJ-NUEKZKHPSA-N 0 0 339.798 2.890 10 10 EFCERN CCCC[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001720078891 1288369309 /nfs/dbraw/zinc/36/93/09/1288369309.db2.gz KWJSLZDMDBNSTC-LBPRGKRZSA-N 0 0 347.419 2.521 10 10 EFCERN CCNC(=O)CN(CC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000822981769 1289174925 /nfs/dbraw/zinc/17/49/25/1289174925.db2.gz KGNUJXIHTOOIFR-UHFFFAOYSA-N 0 0 341.455 2.621 10 10 EFCERN COC(C)(C)CS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817151928 1288442550 /nfs/dbraw/zinc/44/25/50/1288442550.db2.gz HCDJOBSMGLINTB-UHFFFAOYSA-N 0 0 325.430 2.929 10 10 EFCERN CC[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000817174250 1288449012 /nfs/dbraw/zinc/44/90/12/1288449012.db2.gz CFZBRCWYKOIMLC-IRXDYDNUSA-N 0 0 331.460 2.826 10 10 EFCERN CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nc1 ZINC000817240912 1288483361 /nfs/dbraw/zinc/48/33/61/1288483361.db2.gz LADQQGTTXRLRPD-UHFFFAOYSA-N 0 0 329.352 2.830 10 10 EFCERN c1nn(Cc2cccnc2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC001177646502 1288509496 /nfs/dbraw/zinc/50/94/96/1288509496.db2.gz KVYBRTBRYYKGLT-UHFFFAOYSA-N 0 0 349.438 2.775 10 10 EFCERN Cc1cc(C(=O)N2CC[C@@H](c3ncon3)C2)c(C)n1-c1ccccn1 ZINC001177654355 1288512207 /nfs/dbraw/zinc/51/22/07/1288512207.db2.gz RALJGDPCKOGGQR-CQSZACIVSA-N 0 0 337.383 2.502 10 10 EFCERN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccnn1C ZINC000817427962 1288604561 /nfs/dbraw/zinc/60/45/61/1288604561.db2.gz VOQZCXXIPQTXRK-AWEZNQCLSA-N 0 0 326.444 2.781 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)c(O)c1 ZINC001135945994 1288657201 /nfs/dbraw/zinc/65/72/01/1288657201.db2.gz ADMLPHCPCNFLPK-UHFFFAOYSA-N 0 0 344.386 2.640 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCO[C@H]1CC1(F)F ZINC000821445276 1288719172 /nfs/dbraw/zinc/71/91/72/1288719172.db2.gz UJYDDLHHGJCUKA-AWEZNQCLSA-N 0 0 328.359 2.738 10 10 EFCERN Cc1cc(CC(=O)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000821476475 1288733961 /nfs/dbraw/zinc/73/39/61/1288733961.db2.gz XFUDDDGUTGEVCO-SFHVURJKSA-N 0 0 339.439 2.503 10 10 EFCERN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1=CC(=O)CS1 ZINC001136458200 1288744258 /nfs/dbraw/zinc/74/42/58/1288744258.db2.gz WPSNCPSICPMMBM-UHFFFAOYSA-N 0 0 339.800 2.923 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1-c1cnn(C)c1 ZINC001178412666 1288780448 /nfs/dbraw/zinc/78/04/48/1288780448.db2.gz DDUZNVLJCUNGES-UHFFFAOYSA-N 0 0 342.374 2.602 10 10 EFCERN CCOc1nc2cc(C(=O)NCc3c(O)cccc3F)ccc2[nH]1 ZINC001178412824 1288781245 /nfs/dbraw/zinc/78/12/45/1288781245.db2.gz GZQPGGYGRUPBIT-UHFFFAOYSA-N 0 0 329.331 2.736 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/C3(C)CCOCC3)CC2)cc1 ZINC000822197352 1288904744 /nfs/dbraw/zinc/90/47/44/1288904744.db2.gz XFRFBOYIJMZPAH-BQYQJAHWSA-N 0 0 344.455 2.717 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3cccnc3C)CC2)cc1 ZINC000822197362 1288904966 /nfs/dbraw/zinc/90/49/66/1288904966.db2.gz XVCWUXBPZSBKAG-BJMVGYQFSA-N 0 0 337.423 2.761 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000822268875 1288924066 /nfs/dbraw/zinc/92/40/66/1288924066.db2.gz IQYKXQFNXGKNJL-HUUCEWRRSA-N 0 0 342.361 2.680 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1F ZINC000823543107 1289330698 /nfs/dbraw/zinc/33/06/98/1289330698.db2.gz PNOSVURKNSEGMH-KDOFPFPSSA-N 0 0 349.450 2.537 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(N)ncnc2c1 ZINC001136743236 1289335695 /nfs/dbraw/zinc/33/56/95/1289335695.db2.gz MBESUHDIGHPUSY-UHFFFAOYSA-N 0 0 335.411 2.516 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CSC3(C)C)C2)cc1 ZINC000823584347 1289339177 /nfs/dbraw/zinc/33/91/77/1289339177.db2.gz DZGJTWPKJONQKU-BBRMVZONSA-N 0 0 349.500 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](C)[C@H](F)C3)C2)cc1 ZINC000823725816 1289434563 /nfs/dbraw/zinc/43/45/63/1289434563.db2.gz INSMXPDXJYOJRW-IIDMSEBBSA-N 0 0 349.450 2.911 10 10 EFCERN Cc1cccc2nc(CNC(=O)c3ccc(N=NC(N)=O)cc3)cn21 ZINC001136774546 1289438523 /nfs/dbraw/zinc/43/85/23/1289438523.db2.gz CQDKOWDSGUUQAP-UHFFFAOYSA-N 0 0 336.355 2.735 10 10 EFCERN CO[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000823835401 1289463447 /nfs/dbraw/zinc/46/34/47/1289463447.db2.gz YVLGYYUKHDJCOV-KSSFIOAISA-N 0 0 332.444 2.516 10 10 EFCERN CO[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823834994 1289463967 /nfs/dbraw/zinc/46/39/67/1289463967.db2.gz SISASRYVEQGNBQ-HNAYVOBHSA-N 0 0 346.471 2.906 10 10 EFCERN CO[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823834995 1289464186 /nfs/dbraw/zinc/46/41/86/1289464186.db2.gz SISASRYVEQGNBQ-KXBFYZLASA-N 0 0 346.471 2.906 10 10 EFCERN CO[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000823834982 1289464198 /nfs/dbraw/zinc/46/41/98/1289464198.db2.gz SBKXDSCHACROAM-YXJHDRRASA-N 0 0 332.444 2.516 10 10 EFCERN Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001136791782 1289484218 /nfs/dbraw/zinc/48/42/18/1289484218.db2.gz AXKLYDQONXZTCI-AWEZNQCLSA-N 0 0 342.355 2.964 10 10 EFCERN Cc1cnn(C)c1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000824415472 1289658434 /nfs/dbraw/zinc/65/84/34/1289658434.db2.gz HFZXHUHTEDYPSP-CQSZACIVSA-N 0 0 329.448 2.856 10 10 EFCERN Cc1cnn(C)c1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000824415469 1289659317 /nfs/dbraw/zinc/65/93/17/1289659317.db2.gz HFZXHUHTEDYPSP-AWEZNQCLSA-N 0 0 329.448 2.856 10 10 EFCERN Oc1ccccc1CN(Cc1cn(C2CCC2)nn1)C[C@@H]1CCCO1 ZINC000824507720 1289693551 /nfs/dbraw/zinc/69/35/51/1289693551.db2.gz MEFZHMCRAQDSPX-SFHVURJKSA-N 0 0 342.443 2.890 10 10 EFCERN COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637212 1289734289 /nfs/dbraw/zinc/73/42/89/1289734289.db2.gz WSJPWRWUZAZYSJ-QFBILLFUSA-N 0 0 331.387 2.701 10 10 EFCERN Cn1cnc2c1ccc1c2CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001181223422 1289750386 /nfs/dbraw/zinc/75/03/86/1289750386.db2.gz OXDUMUQWZGZZNT-UITAMQMPSA-N 0 0 349.390 2.977 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817542416 1289953658 /nfs/dbraw/zinc/95/36/58/1289953658.db2.gz NZXRGAMPTPXEFP-XHSDSOJGSA-N 0 0 346.446 2.839 10 10 EFCERN Cc1cc(C(=O)Cn2cnc(Cl)n2)c(C)n1-c1ccc(F)cn1 ZINC001166267954 1312754367 /nfs/dbraw/zinc/75/43/67/1312754367.db2.gz LLJAZOOQACLGOY-UHFFFAOYSA-N 0 0 333.754 2.756 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(N3CCCC3)cc1)CCO2 ZINC000874001310 1290158445 /nfs/dbraw/zinc/15/84/45/1290158445.db2.gz CVCYRDTWAUPGQJ-PMACEKPBSA-N 0 0 344.455 2.836 10 10 EFCERN COC(=O)[C@H](CC(C)C)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000795548656 1290162123 /nfs/dbraw/zinc/16/21/23/1290162123.db2.gz KPKDSSSRCYNGCP-HNNXBMFYSA-N 0 0 325.380 2.753 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCc1ccc3c(c1)CCCN3C)CCO2 ZINC000874251169 1290235927 /nfs/dbraw/zinc/23/59/27/1290235927.db2.gz GWPUQHNHWUDBKR-PMACEKPBSA-N 0 0 344.455 2.619 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000875673912 1290607410 /nfs/dbraw/zinc/60/74/10/1290607410.db2.gz XIQVQBJZMWZGOQ-ILRDRHFLSA-N 0 0 345.487 2.547 10 10 EFCERN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092643833 1290797942 /nfs/dbraw/zinc/79/79/42/1290797942.db2.gz FJQVOTAKIAYJOK-NSHDSACASA-N 0 0 328.206 2.540 10 10 EFCERN COC(=O)c1cc(OCC(=O)c2cc(C)[nH]c2C)ccc1N(C)C ZINC001166713215 1312826771 /nfs/dbraw/zinc/82/67/71/1312826771.db2.gz AAIAJTKYQFWZEQ-UHFFFAOYSA-N 0 0 330.384 2.746 10 10 EFCERN COc1cc(N(C)C[C@@H](OC)C2CCOCC2)cc(OC)c1OC ZINC000877179498 1291155967 /nfs/dbraw/zinc/15/59/67/1291155967.db2.gz CVZBRDDMUXHIHM-QGZVFWFLSA-N 0 0 339.432 2.590 10 10 EFCERN O=C(Nc1ccccc1)c1ccc(NCc2c(O)cccc2O)nn1 ZINC001187717246 1291219022 /nfs/dbraw/zinc/21/90/22/1291219022.db2.gz RUGJQOSDRFIEJF-UHFFFAOYSA-N 0 0 336.351 2.752 10 10 EFCERN CSc1nccnc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000878984828 1291908986 /nfs/dbraw/zinc/90/89/86/1291908986.db2.gz ADNRWWJNDCFKKZ-UHFFFAOYSA-N 0 0 329.425 2.713 10 10 EFCERN CCc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000775376606 1292123489 /nfs/dbraw/zinc/12/34/89/1292123489.db2.gz GCIQWZFYENPNQI-UHFFFAOYSA-N 0 0 328.416 2.895 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000775403062 1292258855 /nfs/dbraw/zinc/25/88/55/1292258855.db2.gz FXNODOHIQBIZCH-CABCVRRESA-N 0 0 342.439 2.890 10 10 EFCERN C[C@@H](NC(=O)Cn1cnc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775408290 1292298505 /nfs/dbraw/zinc/29/85/05/1292298505.db2.gz YLQGECJJJMUJKO-CQSZACIVSA-N 0 0 326.444 2.705 10 10 EFCERN Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000775475570 1292641585 /nfs/dbraw/zinc/64/15/85/1292641585.db2.gz TYYIJBLMPHRECF-UHFFFAOYSA-N 0 0 349.456 2.866 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]3CCCC[C@H]3O)nn2)c1O ZINC000880999734 1292714446 /nfs/dbraw/zinc/71/44/46/1292714446.db2.gz RSVOEYVRQNWOPU-XJKSGUPXSA-N 0 0 349.818 2.907 10 10 EFCERN O=C(NCCCC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000133241783 1293817586 /nfs/dbraw/zinc/81/75/86/1293817586.db2.gz GAWHWZGIQBEZOG-UHFFFAOYSA-N 0 0 349.450 2.776 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001195818925 1294050202 /nfs/dbraw/zinc/05/02/02/1294050202.db2.gz KJRKVPRNDNAZSC-UHFFFAOYSA-N 0 0 345.355 2.687 10 10 EFCERN Cc1cc(Cl)cc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000775711871 1294210752 /nfs/dbraw/zinc/21/07/52/1294210752.db2.gz IXPJCWBOUOLUEH-CQSZACIVSA-N 0 0 341.835 2.897 10 10 EFCERN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000775748321 1294389796 /nfs/dbraw/zinc/38/97/96/1294389796.db2.gz UTRLRFKMZODPEA-YGRLFVJLSA-N 0 0 326.799 2.675 10 10 EFCERN O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccc(O)c(O)c1 ZINC000803736419 1313075208 /nfs/dbraw/zinc/07/52/08/1313075208.db2.gz KGXGOBRLLSYKOQ-NXEZZACHSA-N 0 0 332.274 2.802 10 10 EFCERN CC/C=C(/F)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000867223784 1294440154 /nfs/dbraw/zinc/44/01/54/1294440154.db2.gz UYDQXHLGPMZZEB-UUILKARUSA-N 0 0 329.755 2.811 10 10 EFCERN Cc1cc(CNC(=O)N[C@]23C[C@H]2COC3)c(C)n1-c1ccccc1 ZINC001234338489 1313107774 /nfs/dbraw/zinc/10/77/74/1313107774.db2.gz YEUYOLSKZZUBKG-LPHOPBHVSA-N 0 0 325.412 2.682 10 10 EFCERN COc1nscc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001198122313 1294908057 /nfs/dbraw/zinc/90/80/57/1294908057.db2.gz FTHRZAHOPMVCGH-UHFFFAOYSA-N 0 0 333.457 2.620 10 10 EFCERN C[C@@H](NC(=O)N1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000826532809 1295263191 /nfs/dbraw/zinc/26/31/91/1295263191.db2.gz YGJOQEROTOJRKD-RDTXWAMCSA-N 0 0 349.500 2.731 10 10 EFCERN Cn1nc2c(c1NC(=O)/C=C\c1ccc3c(c1)CCCN3C)CCC2 ZINC000222172825 1295324082 /nfs/dbraw/zinc/32/40/82/1295324082.db2.gz ZYGQMQWQWMMRLH-LUAWRHEFSA-N 0 0 336.439 2.943 10 10 EFCERN Cn1nc2c(c1/C=C1\SC(N3CCCCC3)=NC1=O)CSCC2 ZINC000887277277 1295337963 /nfs/dbraw/zinc/33/79/63/1295337963.db2.gz RGQDKNLUNBBXHA-ZROIWOOFSA-N 0 0 348.497 2.666 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000867301592 1295416865 /nfs/dbraw/zinc/41/68/65/1295416865.db2.gz BEECMEBXSXWVJV-GUYCJALGSA-N 0 0 333.428 2.884 10 10 EFCERN CCCN1C(=O)/C(=C/c2cccc(OC)c2OC)C(C(=O)OC)=C1C ZINC000005869906 1295512083 /nfs/dbraw/zinc/51/20/83/1295512083.db2.gz DQUDDUILNFHXLO-SDNWHVSQSA-N 0 0 345.395 2.786 10 10 EFCERN CC[C@H](O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826603610 1295684981 /nfs/dbraw/zinc/68/49/81/1295684981.db2.gz JICZWRJMHAPGNB-JSGCOSHPSA-N 0 0 342.386 2.534 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000803815407 1313192539 /nfs/dbraw/zinc/19/25/39/1313192539.db2.gz JUHLBDIYSXYCGU-UHFFFAOYSA-N 0 0 341.319 2.627 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2ccc(F)nc2)c2ccccc21 ZINC000777468536 1296030601 /nfs/dbraw/zinc/03/06/01/1296030601.db2.gz TZQATZSPQQMVDD-ZROIWOOFSA-N 0 0 326.327 2.671 10 10 EFCERN CN1c2ccccc2C(=O)N[C@@H]1/C=C\c1cn(Cc2ccccc2)nn1 ZINC000098002347 1296143668 /nfs/dbraw/zinc/14/36/68/1296143668.db2.gz CHLDBJHABNHAMM-JZHDPFOFSA-N 0 0 345.406 2.546 10 10 EFCERN O=C1N(Cc2ccc(N3CCCC3)cc2)C(=O)[C@]23C[C@H]2CCCN13 ZINC000924486413 1296769678 /nfs/dbraw/zinc/76/96/78/1296769678.db2.gz FQUGTFUMMOVJEX-BEFAXECRSA-N 0 0 325.412 2.604 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(CN2CCCC2=O)cc1 ZINC000928709689 1297125441 /nfs/dbraw/zinc/12/54/41/1297125441.db2.gz LCSDFNWTKHFRTL-UHFFFAOYSA-N 0 0 342.370 2.584 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000929009917 1297153104 /nfs/dbraw/zinc/15/31/04/1297153104.db2.gz ALPFXHLUHBIQOI-DDTOSNHZSA-N 0 0 334.803 2.998 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000929405233 1297179621 /nfs/dbraw/zinc/17/96/21/1297179621.db2.gz OBQLCCQDWCXJEF-CVEARBPZSA-N 0 0 332.444 2.737 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000929405860 1297179834 /nfs/dbraw/zinc/17/98/34/1297179834.db2.gz RXWVVTNPHFOKDO-KBPBESRZSA-N 0 0 330.350 2.869 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2cn(C)ccc2=O)cc1 ZINC000929537774 1297190369 /nfs/dbraw/zinc/19/03/69/1297190369.db2.gz SVYRNDQFGPEIGQ-UHFFFAOYSA-N 0 0 327.428 2.504 10 10 EFCERN Cc1cn2c(n1)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000776239857 1297226157 /nfs/dbraw/zinc/22/61/57/1297226157.db2.gz WPZINAFWJRPNFZ-AWEZNQCLSA-N 0 0 327.432 2.544 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000776251655 1297262457 /nfs/dbraw/zinc/26/24/57/1297262457.db2.gz QTLMPARJNXTJER-AWEZNQCLSA-N 0 0 330.340 2.620 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000776248305 1297272427 /nfs/dbraw/zinc/27/24/27/1297272427.db2.gz XTNCHXONVOWIRJ-IAOVAPTHSA-N 0 0 346.475 2.547 10 10 EFCERN CCc1cc(CC(=O)N(CC)Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000930905524 1297297449 /nfs/dbraw/zinc/29/74/49/1297297449.db2.gz IAGGLLDQGZIPCC-UHFFFAOYSA-N 0 0 328.460 2.640 10 10 EFCERN COc1ccc(N2CCN([C@H](C)c3snnc3C)CC2)c(OC)c1 ZINC000931530710 1297351118 /nfs/dbraw/zinc/35/11/18/1297351118.db2.gz NWLAOHJHGLWWJB-CYBMUJFWSA-N 0 0 348.472 2.747 10 10 EFCERN COc1cc(C)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1O ZINC000106909525 1297657443 /nfs/dbraw/zinc/65/74/43/1297657443.db2.gz SQQAIIYQNYQOPW-UHFFFAOYSA-N 0 0 342.395 2.798 10 10 EFCERN Cn1cc(-c2c[nH]cc2C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000778464320 1297682628 /nfs/dbraw/zinc/68/26/28/1297682628.db2.gz KYDMANUEZFRWCT-UHFFFAOYSA-N 0 0 349.438 2.945 10 10 EFCERN Cc1ccc(C(=O)CCC(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000778920045 1297730979 /nfs/dbraw/zinc/73/09/79/1297730979.db2.gz URXFIUGRRKCNMT-UHFFFAOYSA-N 0 0 327.380 2.994 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCO[C@@H](C)C1 ZINC000779012932 1297742877 /nfs/dbraw/zinc/74/28/77/1297742877.db2.gz KUXIYSMCIMJIDD-QWHCGFSZSA-N 0 0 341.835 2.836 10 10 EFCERN Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000779490588 1298322083 /nfs/dbraw/zinc/32/20/83/1298322083.db2.gz BXPWNJISMAPJDI-IBGZPJMESA-N 0 0 340.423 2.747 10 10 EFCERN COc1cccc2[nH]cc(CCNC(=O)c3cccc(O)c3O)c21 ZINC000193155473 1298414227 /nfs/dbraw/zinc/41/42/27/1298414227.db2.gz UCCHALPJWGWVFM-UHFFFAOYSA-N 0 0 326.352 2.560 10 10 EFCERN [NH3+][C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000903983550 1313535362 /nfs/dbraw/zinc/53/53/62/1313535362.db2.gz INKOQNRGTHWCJG-WCBMZHEXSA-N 0 0 326.721 2.896 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000851904949 1299458173 /nfs/dbraw/zinc/45/81/73/1299458173.db2.gz AMDRWUBLNLKYHK-INIZCTEOSA-N 0 0 343.402 2.912 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C)cs3)C2)cc1 ZINC000851930245 1299469648 /nfs/dbraw/zinc/46/96/48/1299469648.db2.gz YWMCCAHQVGMXFO-CYBMUJFWSA-N 0 0 346.456 2.538 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(CCF)CCOC)cc1 ZINC000851987750 1299492586 /nfs/dbraw/zinc/49/25/86/1299492586.db2.gz PQEVWRYRPHKFQK-UHFFFAOYSA-N 0 0 325.428 2.660 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3scnc3C)C2)cc1 ZINC000852060129 1299531037 /nfs/dbraw/zinc/53/10/37/1299531037.db2.gz ALYWMNCKOMELIE-CYBMUJFWSA-N 0 0 346.456 2.538 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCSC)C2)cc1 ZINC000852121916 1299557059 /nfs/dbraw/zinc/55/70/59/1299557059.db2.gz BDDIZRAOPDLLNA-UONOGXRCSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCCC(F)(F)F)C2)cc1 ZINC000852160250 1299572908 /nfs/dbraw/zinc/57/29/08/1299572908.db2.gz CZDWEVDBDOMHBC-GFCCVEGCSA-N 0 0 345.365 2.916 10 10 EFCERN CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(F)F ZINC000852361292 1299676170 /nfs/dbraw/zinc/67/61/70/1299676170.db2.gz XIKUHQXMNMKIDN-SMDDNHRTSA-N 0 0 327.375 2.617 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(F)F)C2)cc1 ZINC000852359872 1299676198 /nfs/dbraw/zinc/67/61/98/1299676198.db2.gz YWVNBYORHSGWNS-LBPRGKRZSA-N 0 0 327.375 2.618 10 10 EFCERN CC[C@H](C)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852364282 1299678550 /nfs/dbraw/zinc/67/85/50/1299678550.db2.gz IYROWXTWLYSXSQ-HDMKZQKVSA-N 0 0 349.475 2.634 10 10 EFCERN CC[C@H](C)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852364284 1299678611 /nfs/dbraw/zinc/67/86/11/1299678611.db2.gz IYROWXTWLYSXSQ-RLFYNMQTSA-N 0 0 349.475 2.634 10 10 EFCERN COCCN(CCF)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000852384989 1299683388 /nfs/dbraw/zinc/68/33/88/1299683388.db2.gz JWPNILLDRNAPAV-OAHLLOKOSA-N 0 0 339.455 2.620 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C3(OC)CCC3)C2)cc1 ZINC000852382646 1299683683 /nfs/dbraw/zinc/68/36/83/1299683683.db2.gz JHHKRZXPDITESV-GJZGRUSLSA-N 0 0 347.459 2.531 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000852401060 1299689328 /nfs/dbraw/zinc/68/93/28/1299689328.db2.gz DLLSDRAHBNUEOH-CQSZACIVSA-N 0 0 333.476 2.882 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@](C)(F)C3)C2)cc1 ZINC000852447508 1299707770 /nfs/dbraw/zinc/70/77/70/1299707770.db2.gz BNZKSDUJBAVMJG-KDOFPFPSSA-N 0 0 335.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C3CC3)C2)cc1 ZINC000852455083 1299711179 /nfs/dbraw/zinc/71/11/79/1299711179.db2.gz RMEGFKRLJPDQMH-YJBOKZPZSA-N 0 0 329.444 2.858 10 10 EFCERN COC1CCN(c2ccc(CN3C[C@@H](C)C(=O)[C@H](C)C3)cc2)CC1 ZINC000852474452 1299717189 /nfs/dbraw/zinc/71/71/89/1299717189.db2.gz BOKBTNWONFNIHT-HZPDHXFCSA-N 0 0 330.472 2.959 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)c2cscn2)cc1 ZINC000852512477 1299732300 /nfs/dbraw/zinc/73/23/00/1299732300.db2.gz LHSAHSLUBDDUON-CYBMUJFWSA-N 0 0 348.472 2.991 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCCC2SCCS2)c1 ZINC000852678358 1299809643 /nfs/dbraw/zinc/80/96/43/1299809643.db2.gz BUISPJMFFOPHGW-JTQLQIEISA-N 0 0 342.486 2.957 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCOc3ccc(O)cc3C2)c1O ZINC000852689480 1299815181 /nfs/dbraw/zinc/81/51/81/1299815181.db2.gz BZSJKQAYBXRVGL-UHFFFAOYSA-N 0 0 331.343 2.834 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](CC(F)(F)F)C2)c1O ZINC000852740472 1299850634 /nfs/dbraw/zinc/85/06/34/1299850634.db2.gz BVQFKZLLWMCNRC-LBPRGKRZSA-N 0 0 335.297 2.887 10 10 EFCERN Cc1cc(CC(=O)OC[C@H]2COCCO2)c(C)n1-c1ccccc1 ZINC000853104222 1300008080 /nfs/dbraw/zinc/00/80/80/1300008080.db2.gz SOBJPSSZDRAEDL-GOSISDBHSA-N 0 0 329.396 2.595 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000853244376 1300063967 /nfs/dbraw/zinc/06/39/67/1300063967.db2.gz KAVQTPAXOFLCOE-CQSZACIVSA-N 0 0 345.365 2.615 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000853244339 1300064189 /nfs/dbraw/zinc/06/41/89/1300064189.db2.gz IMVRHKQURQRUMJ-ROUUACIJSA-N 0 0 325.412 2.730 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@](O)(C3CC3)C2)cc1 ZINC000853456603 1300121386 /nfs/dbraw/zinc/12/13/86/1300121386.db2.gz MJTDJJFLMKKYMB-HXUWFJFHSA-N 0 0 345.487 2.979 10 10 EFCERN COC(=O)c1ccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1C ZINC000853758688 1300262829 /nfs/dbraw/zinc/26/28/29/1300262829.db2.gz JHZRQZAGHMCSHS-CQSZACIVSA-N 0 0 341.411 2.876 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc(C4CCOCC4)no3)C2)cc1 ZINC000853760916 1300264139 /nfs/dbraw/zinc/26/41/39/1300264139.db2.gz OEMZFVQNLBHZHP-CQSZACIVSA-N 0 0 344.415 2.663 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000853813114 1300288928 /nfs/dbraw/zinc/28/89/28/1300288928.db2.gz SCAJOXNGYQHSDA-FZSTZKMBSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(C)c(C)o3)C2)cc1 ZINC000853818336 1300292659 /nfs/dbraw/zinc/29/26/59/1300292659.db2.gz VSANVMFTXLXKGM-CYBMUJFWSA-N 0 0 330.388 2.700 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000854177504 1300463138 /nfs/dbraw/zinc/46/31/38/1300463138.db2.gz XZHFZNAWBMGZFN-BMGDILEWSA-N 0 0 345.487 2.595 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)cc1 ZINC000854199293 1300470042 /nfs/dbraw/zinc/47/00/42/1300470042.db2.gz ZRQUJJKYEXJMMO-INIZCTEOSA-N 0 0 342.443 2.500 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000854240664 1300482824 /nfs/dbraw/zinc/48/28/24/1300482824.db2.gz BQZVKWCPMYEOSZ-YLJYHZDGSA-N 0 0 346.471 2.846 10 10 EFCERN COc1cc(C)nc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000776725485 1300493752 /nfs/dbraw/zinc/49/37/52/1300493752.db2.gz BQZAXZZFFFLYQN-QPEQYQDCSA-N 0 0 347.421 2.788 10 10 EFCERN COc1cc(C)nc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000776725484 1300494233 /nfs/dbraw/zinc/49/42/33/1300494233.db2.gz BQZAXZZFFFLYQN-NTUHNPAUSA-N 0 0 347.421 2.788 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C[C@H](C)OC)C(C)C)C2)cc1 ZINC000854299935 1300504671 /nfs/dbraw/zinc/50/46/71/1300504671.db2.gz MKXHPUHGUGWJPH-HOTGVXAUSA-N 0 0 349.475 2.729 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3(C4CCC4)CC3)C2)cc1 ZINC000854296586 1300505152 /nfs/dbraw/zinc/50/51/52/1300505152.db2.gz KICQVHOKUYHWTD-HNNXBMFYSA-N 0 0 329.444 2.906 10 10 EFCERN COCCC1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854298292 1300505313 /nfs/dbraw/zinc/50/53/13/1300505313.db2.gz ZSECAKRGWULCOU-OAHLLOKOSA-N 0 0 347.459 2.532 10 10 EFCERN CCC(CC)(CCO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854297292 1300505343 /nfs/dbraw/zinc/50/53/43/1300505343.db2.gz MAXPTHVFYZVNCN-HNNXBMFYSA-N 0 0 349.475 2.514 10 10 EFCERN COC(=O)/C=C\c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000854324802 1300521165 /nfs/dbraw/zinc/52/11/65/1300521165.db2.gz PUBSFVASQKXBRI-BENRWUELSA-N 0 0 342.395 2.804 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1nnn(C(C)(C)C)n1 ZINC000854374176 1300540105 /nfs/dbraw/zinc/54/01/05/1300540105.db2.gz QEOLTMKICFIHGQ-UHFFFAOYSA-N 0 0 331.420 2.576 10 10 EFCERN CCCn1nccc1C(=O)NCc1cc(Br)ccc1O ZINC000854442217 1300569131 /nfs/dbraw/zinc/56/91/31/1300569131.db2.gz KULQJKYFJSUQDK-UHFFFAOYSA-N 0 0 338.205 2.691 10 10 EFCERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000854441986 1300569029 /nfs/dbraw/zinc/56/90/29/1300569029.db2.gz CEMPXBTYIXTZSM-DGCLKSJQSA-N 0 0 342.233 2.975 10 10 EFCERN CO[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000854442349 1300569375 /nfs/dbraw/zinc/56/93/75/1300569375.db2.gz PAAKJDOFRBQDQQ-CYBMUJFWSA-N 0 0 328.206 2.586 10 10 EFCERN COC(OC)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854464859 1300578898 /nfs/dbraw/zinc/57/88/98/1300578898.db2.gz OTVRRQHOQBKABR-CQSZACIVSA-N 0 0 330.428 2.760 10 10 EFCERN Cc1cc(CC(=O)NCCC2(CO)CC2)c(C)n1-c1ccccc1 ZINC000854847054 1300709368 /nfs/dbraw/zinc/70/93/68/1300709368.db2.gz XVDSDALNDFCBLT-UHFFFAOYSA-N 0 0 326.440 2.915 10 10 EFCERN Cc1cc(CC(=O)NC[C@H](O)C2CCC2)c(C)n1-c1ccccc1 ZINC000854888584 1300721507 /nfs/dbraw/zinc/72/15/07/1300721507.db2.gz ZNHONLBPNUAFAE-IBGZPJMESA-N 0 0 326.440 2.914 10 10 EFCERN Cc1cc(CC(=O)NCCc2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000854905971 1300731352 /nfs/dbraw/zinc/73/13/52/1300731352.db2.gz LQIYMZDLMHBGQP-UHFFFAOYSA-N 0 0 336.439 2.729 10 10 EFCERN CC1(C)CC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854905751 1300732002 /nfs/dbraw/zinc/73/20/02/1300732002.db2.gz DFMSWLJFCJJFTR-ZDUSSCGKSA-N 0 0 338.398 2.854 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](OC)C3CCCC3)C2)cc1 ZINC000854981236 1300755417 /nfs/dbraw/zinc/75/54/17/1300755417.db2.gz MGPYKCJFSKVCLM-BEFAXECRSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](OC)C3CCCC3)C2)cc1 ZINC000854981238 1300755669 /nfs/dbraw/zinc/75/56/69/1300755669.db2.gz MGPYKCJFSKVCLM-HNAYVOBHSA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)[C@H]2CCCO2)cc1 ZINC000855020438 1300766715 /nfs/dbraw/zinc/76/67/15/1300766715.db2.gz PKKKXYPLGVYVMB-MAUKXSAKSA-N 0 0 334.460 2.795 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)n3ccc(C)n3)C2)cc1 ZINC000855223072 1300844655 /nfs/dbraw/zinc/84/46/55/1300844655.db2.gz DWWFKVRVKMAXRQ-HOTGVXAUSA-N 0 0 342.443 2.546 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC34CCSCC4)C2)cc1 ZINC000855222788 1300844677 /nfs/dbraw/zinc/84/46/77/1300844677.db2.gz AHRHRQLXFYNCCT-RHSMWYFYSA-N 0 0 346.496 2.923 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C2)cc1 ZINC000855222797 1300845056 /nfs/dbraw/zinc/84/50/56/1300845056.db2.gz AMOWUYOSYVFIHK-RYUDHWBXSA-N 0 0 330.350 2.979 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)c3ccccc3)C2)cc1 ZINC000855223615 1300845107 /nfs/dbraw/zinc/84/51/07/1300845107.db2.gz BPYPAPCOUACFKG-QFBILLFUSA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCCC(=O)C3)C2)cc1 ZINC000855224013 1300846538 /nfs/dbraw/zinc/84/65/38/1300846538.db2.gz DOMTVFFPWXCSGX-CVEARBPZSA-N 0 0 344.455 2.930 10 10 EFCERN CC[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224505 1300846742 /nfs/dbraw/zinc/84/67/42/1300846742.db2.gz FNIGJGBPUUIXAG-XYJFISCASA-N 0 0 346.471 2.985 10 10 EFCERN CCC1=C(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000855223851 1300846783 /nfs/dbraw/zinc/84/67/83/1300846783.db2.gz IKGDHSQZPNLIOA-CQSZACIVSA-N 0 0 330.428 2.865 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(O)c(F)c3)C2)cc1 ZINC000855224102 1300846937 /nfs/dbraw/zinc/84/69/37/1300846937.db2.gz DDZRGBUCJDBLKY-ZDUSSCGKSA-N 0 0 330.359 2.549 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C=C\c3cccc(O)c3)C2)cc1 ZINC000855224985 1300847614 /nfs/dbraw/zinc/84/76/14/1300847614.db2.gz HFKIEISAMJABTA-AVFOEOQDSA-N 0 0 338.407 2.809 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCCC3CCOCC3)C2)cc1 ZINC000855224709 1300847644 /nfs/dbraw/zinc/84/76/44/1300847644.db2.gz KRESKJPUJSMRMC-KRWDZBQOSA-N 0 0 346.471 2.987 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(O)cccc3F)C2)cc1 ZINC000855224542 1300847810 /nfs/dbraw/zinc/84/78/10/1300847810.db2.gz FUXNEEXHVMNZMN-LBPRGKRZSA-N 0 0 330.359 2.549 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CC4)no3)C2)cc1 ZINC000855227061 1300849767 /nfs/dbraw/zinc/84/97/67/1300849767.db2.gz VVJJYOZCTPRGRD-CYBMUJFWSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(F)c3)C2)cc1 ZINC000855230232 1300850429 /nfs/dbraw/zinc/85/04/29/1300850429.db2.gz UZIPQMQEIIEJOS-ZDUSSCGKSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCCC[C@@H]3C)C2)cc1 ZINC000855230308 1300850575 /nfs/dbraw/zinc/85/05/75/1300850575.db2.gz GAAAJEQMDIVKOF-TXPKVOOTSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCOc3ccccc3)C2)cc1 ZINC000855230477 1300850803 /nfs/dbraw/zinc/85/08/03/1300850803.db2.gz WPEVGFBSYXUNFX-MRXNPFEDSA-N 0 0 340.423 2.859 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CSC(F)(F)F)C2)cc1 ZINC000855230435 1300851245 /nfs/dbraw/zinc/85/12/45/1300851245.db2.gz DGGWHVFBCNLPJU-SNVBAGLBSA-N 0 0 334.363 2.643 10 10 EFCERN CCCCCCOCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231424 1300852470 /nfs/dbraw/zinc/85/24/70/1300852470.db2.gz MHUXUHLXRAJRIY-MRXNPFEDSA-N 0 0 334.460 2.987 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000855231177 1300852488 /nfs/dbraw/zinc/85/24/88/1300852488.db2.gz HWJWJHFJINKNFA-CYBMUJFWSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000855232575 1300853355 /nfs/dbraw/zinc/85/33/55/1300853355.db2.gz VJDOFXMVLSJGLM-AWEZNQCLSA-N 0 0 342.443 2.561 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccn1 ZINC000855325238 1300913781 /nfs/dbraw/zinc/91/37/81/1300913781.db2.gz IHUAQUNAAVKVEQ-SWLSCSKDSA-N 0 0 336.399 2.516 10 10 EFCERN Cc1cc(C)c2c(N)c(C(=O)OCc3ccnc(C)n3)sc2n1 ZINC000795393761 1300939347 /nfs/dbraw/zinc/93/93/47/1300939347.db2.gz LZCKXOYSELMHPC-UHFFFAOYSA-N 0 0 328.397 2.951 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)c(C)n1-c1ccccn1 ZINC000855926889 1301176883 /nfs/dbraw/zinc/17/68/83/1301176883.db2.gz YEPJWUTZTSFKNE-CVEARBPZSA-N 0 0 325.412 2.522 10 10 EFCERN Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)c(C)n1-c1ccc(Cl)cc1 ZINC000855934046 1301179681 /nfs/dbraw/zinc/17/96/81/1301179681.db2.gz WTDLYBHDZFHFLX-AWEZNQCLSA-N 0 0 345.830 2.756 10 10 EFCERN CCOC(=O)CN1c2ccccc2/C(=C\c2ccc(OC)nc2)C1=O ZINC000780152349 1313756521 /nfs/dbraw/zinc/75/65/21/1313756521.db2.gz BNFYHIUFFGVIJY-XNTDXEJSSA-N 0 0 338.363 2.541 10 10 EFCERN CCOC(=O)CN1c2ccccc2/C(=C/c2ccc(OC)nc2)C1=O ZINC000780152348 1313756630 /nfs/dbraw/zinc/75/66/30/1313756630.db2.gz BNFYHIUFFGVIJY-GDNBJRDFSA-N 0 0 338.363 2.541 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)[C@H](C)C2)c1 ZINC000859622259 1301511169 /nfs/dbraw/zinc/51/11/69/1301511169.db2.gz CSDVRKZWIUBHBW-OAHLLOKOSA-N 0 0 339.439 2.683 10 10 EFCERN CC[C@@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OC ZINC000859956195 1301651330 /nfs/dbraw/zinc/65/13/30/1301651330.db2.gz FJRSDBLNADXUSC-MRXNPFEDSA-N 0 0 342.395 2.588 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)C(C)C)c1 ZINC000860091220 1301697367 /nfs/dbraw/zinc/69/73/67/1301697367.db2.gz YVTYDCYQOACQMN-SFHVURJKSA-N 0 0 328.412 2.653 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCCC23CC3)cc1 ZINC000860176873 1301731046 /nfs/dbraw/zinc/73/10/46/1301731046.db2.gz KIINIMNSJTZPON-QGZVFWFLSA-N 0 0 344.455 2.835 10 10 EFCERN COCc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1OC ZINC000861628989 1302176182 /nfs/dbraw/zinc/17/61/82/1302176182.db2.gz BBYJMTSCXWPCOT-UHFFFAOYSA-N 0 0 346.383 2.878 10 10 EFCERN CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000861673929 1302189075 /nfs/dbraw/zinc/18/90/75/1302189075.db2.gz QVWAZUGRGSIQJH-NWDGAFQWSA-N 0 0 332.231 2.639 10 10 EFCERN CCC[C@H](OCC)C(=O)NCc1cc(Br)ccc1O ZINC000861687556 1302190794 /nfs/dbraw/zinc/19/07/94/1302190794.db2.gz SVVPTYIMRPNNHA-ZDUSSCGKSA-N 0 0 330.222 2.976 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000862226224 1302313421 /nfs/dbraw/zinc/31/34/21/1302313421.db2.gz WVQIQUABZHWOAN-GFCCVEGCSA-N 0 0 344.377 2.852 10 10 EFCERN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Cl)c(C)cc1O ZINC000862516860 1302404186 /nfs/dbraw/zinc/40/41/86/1302404186.db2.gz ZZXPMYMGJSDAPE-IUODEOHRSA-N 0 0 341.835 2.802 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000862753976 1302450108 /nfs/dbraw/zinc/45/01/08/1302450108.db2.gz NIJYJDKDYRDFOE-UHFFFAOYSA-N 0 0 338.407 2.885 10 10 EFCERN Cc1cc(CC(=O)N(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC000863380465 1302599187 /nfs/dbraw/zinc/59/91/87/1302599187.db2.gz BOPMWGPOIBLTSJ-UWUNEBHHSA-N 0 0 326.440 2.866 10 10 EFCERN O=C(C1=CC(=O)CS1)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000863482370 1302628153 /nfs/dbraw/zinc/62/81/53/1302628153.db2.gz ZQBQXQKBSIAQSI-UHFFFAOYSA-N 0 0 341.436 2.893 10 10 EFCERN O=C1[C@H]2c3ccoc3CCN2C(=O)N1CCCSc1nccs1 ZINC000863504704 1302635848 /nfs/dbraw/zinc/63/58/48/1302635848.db2.gz XUVFQZRDYAHIML-GFCCVEGCSA-N 0 0 349.437 2.780 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000863505828 1302635914 /nfs/dbraw/zinc/63/59/14/1302635914.db2.gz RNPJJRCUNUJTFO-PXAZEXFGSA-N 0 0 339.395 2.968 10 10 EFCERN CCO[C@@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)[C@H]1CCOC1 ZINC000864636590 1303007541 /nfs/dbraw/zinc/00/75/41/1303007541.db2.gz OWEXBWDRRSODGQ-PKOBYXMFSA-N 0 0 348.487 2.933 10 10 EFCERN CON1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000864949336 1303095914 /nfs/dbraw/zinc/09/59/14/1303095914.db2.gz IKOOCMADGUFZJX-UHFFFAOYSA-N 0 0 333.476 2.763 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000864950252 1303096996 /nfs/dbraw/zinc/09/69/96/1303096996.db2.gz VVFHBUMUIFMRDM-QUCCMNQESA-N 0 0 344.455 2.693 10 10 EFCERN CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000864950574 1303097170 /nfs/dbraw/zinc/09/71/70/1303097170.db2.gz WZVMIZFDCHCQIH-HKUYNNGSSA-N 0 0 348.487 2.931 10 10 EFCERN CCO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000864984311 1303110891 /nfs/dbraw/zinc/11/08/91/1303110891.db2.gz NIIVWAXGXOGMKU-IBGZPJMESA-N 0 0 346.471 2.735 10 10 EFCERN COCc1sccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000864984502 1303110909 /nfs/dbraw/zinc/11/09/09/1303110909.db2.gz UQYBSUFOMRDCFL-UHFFFAOYSA-N 0 0 346.452 2.661 10 10 EFCERN C[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000865017994 1303123149 /nfs/dbraw/zinc/12/31/49/1303123149.db2.gz FQEBAQHRLLPKBS-CVAIRZPRSA-N 0 0 344.455 2.660 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(CC(C)C)CCNC1=O ZINC000865027461 1303126220 /nfs/dbraw/zinc/12/62/20/1303126220.db2.gz QNMRPTHHSJVMNY-FQEVSTJZSA-N 0 0 345.487 2.654 10 10 EFCERN CCO[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000865027399 1303126817 /nfs/dbraw/zinc/12/68/17/1303126817.db2.gz OIMHMNWSGHLNCU-AEFFLSMTSA-N 0 0 334.460 2.543 10 10 EFCERN CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000865031779 1303128767 /nfs/dbraw/zinc/12/87/67/1303128767.db2.gz OEXLCSOLLNDBMW-PKOBYXMFSA-N 0 0 346.471 2.735 10 10 EFCERN CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000865031776 1303129003 /nfs/dbraw/zinc/12/90/03/1303129003.db2.gz OEXLCSOLLNDBMW-IEBWSBKVSA-N 0 0 346.471 2.735 10 10 EFCERN CCOC1CC2(C[C@H]2C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000865054052 1303140898 /nfs/dbraw/zinc/14/08/98/1303140898.db2.gz OLEONZDZQUDUFS-GNZRSQJKSA-N 0 0 328.456 2.890 10 10 EFCERN CCOc1cc(F)cc(/C=C2\SC(N3CCOCC3)=NC2=O)c1 ZINC000865216572 1303190696 /nfs/dbraw/zinc/19/06/96/1303190696.db2.gz HDPKOXNPQKMRQI-ZROIWOOFSA-N 0 0 336.388 2.527 10 10 EFCERN CCN(CC)c1ccc(CNCc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000865687731 1303367374 /nfs/dbraw/zinc/36/73/74/1303367374.db2.gz LFZOKMPQUCGWBV-UHFFFAOYSA-N 0 0 343.475 2.835 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000865923300 1303456257 /nfs/dbraw/zinc/45/62/57/1303456257.db2.gz MCAIPBPYURMNPR-KTLBGCOUSA-N 0 0 330.262 2.922 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2nnc(C3CC3)o2)cc1F ZINC000865931909 1303459456 /nfs/dbraw/zinc/45/94/56/1303459456.db2.gz QZZRIJDRNWWHDU-UHFFFAOYSA-N 0 0 332.379 2.862 10 10 EFCERN COCC1(C2CC2)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866055971 1303506421 /nfs/dbraw/zinc/50/64/21/1303506421.db2.gz CIYXYSARMUPQRU-XBXARRHUSA-N 0 0 346.383 2.644 10 10 EFCERN C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000866160708 1303546411 /nfs/dbraw/zinc/54/64/11/1303546411.db2.gz DUFYAOCXCNMFEU-STQMWFEESA-N 0 0 328.368 2.592 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866211510 1303565540 /nfs/dbraw/zinc/56/55/40/1303565540.db2.gz IWZWLBMQZLXUSG-ZFVVBOAOSA-N 0 0 346.446 2.695 10 10 EFCERN CN(C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000866278306 1303589257 /nfs/dbraw/zinc/58/92/57/1303589257.db2.gz PBWAZIMZTNJGNX-SBDDDAINSA-N 0 0 334.420 2.576 10 10 EFCERN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866442484 1303641657 /nfs/dbraw/zinc/64/16/57/1303641657.db2.gz MWTLDOASQRAKMJ-LHLIQPBNSA-N 0 0 342.155 2.961 10 10 EFCERN CC(C)(C)OCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866484991 1303659127 /nfs/dbraw/zinc/65/91/27/1303659127.db2.gz JXEHKACMKZPFCP-UHFFFAOYSA-N 0 0 340.489 2.521 10 10 EFCERN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1[O-] ZINC000866531345 1303675229 /nfs/dbraw/zinc/67/52/29/1303675229.db2.gz GWZYXRDDINGTED-WCQYABFASA-N 0 0 327.371 2.907 10 10 EFCERN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(F)ccc1O ZINC000866576644 1303694830 /nfs/dbraw/zinc/69/48/30/1303694830.db2.gz KZFZMEZLNKYODE-CYBMUJFWSA-N 0 0 343.402 2.907 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC[C@@H]1OCC ZINC000866599016 1303705813 /nfs/dbraw/zinc/70/58/13/1303705813.db2.gz XRYNLUWNXGRNEE-YJBOKZPZSA-N 0 0 335.444 2.963 10 10 EFCERN Cc1cn(C(C)(C)C(=O)NCc2ccccc2O)nc1C(F)(F)F ZINC000866756665 1303780831 /nfs/dbraw/zinc/78/08/31/1303780831.db2.gz ZXWUGVJDLFVABI-UHFFFAOYSA-N 0 0 341.333 2.967 10 10 EFCERN COc1cccc(CNC(=O)Cc2c(C)cc(N(C)C)cc2C)c1O ZINC000866763757 1303783230 /nfs/dbraw/zinc/78/32/30/1303783230.db2.gz NXSYRCCCHNSPGZ-UHFFFAOYSA-N 0 0 342.439 2.943 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)CCc2nnc(C(F)F)o2)c1 ZINC000866763841 1303783420 /nfs/dbraw/zinc/78/34/20/1303783420.db2.gz IEHILQLBYAQELT-MRVPVSSYSA-N 0 0 341.314 2.531 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](C)CC3)c1 ZINC000866765628 1303784385 /nfs/dbraw/zinc/78/43/85/1303784385.db2.gz XUPGEHKOWAOSEB-NWDGAFQWSA-N 0 0 329.400 2.671 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(F)(F)F)ncn2)c1 ZINC000866765421 1303784398 /nfs/dbraw/zinc/78/43/98/1303784398.db2.gz VDQIKUWEKMRYDT-QMMMGPOBSA-N 0 0 341.289 2.701 10 10 EFCERN C[C@H](NS(=O)(=O)c1cnn(C2CCCC2)c1)c1ccccc1O ZINC000867836355 1303978980 /nfs/dbraw/zinc/97/89/80/1303978980.db2.gz PPHWRUNMJWKIER-LBPRGKRZSA-N 0 0 335.429 2.743 10 10 EFCERN C[C@@H](NS(=O)(=O)C[C@@H](C)CC(F)(F)F)c1ccccc1O ZINC000867835316 1303978986 /nfs/dbraw/zinc/97/89/86/1303978986.db2.gz WPIWYMZVMOTPTG-VHSXEESVSA-N 0 0 325.352 2.961 10 10 EFCERN CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000867836227 1303979148 /nfs/dbraw/zinc/97/91/48/1303979148.db2.gz KBURMLAMDABRGP-SUMWQHHRSA-N 0 0 341.473 2.968 10 10 EFCERN COc1ccc(CNC(=O)c2cnn(CC3CCCC3)c2)c(O)c1 ZINC000867955906 1304042865 /nfs/dbraw/zinc/04/28/65/1304042865.db2.gz JFANUKAWAVQDBS-UHFFFAOYSA-N 0 0 329.400 2.718 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccnc(F)c1 ZINC000868111386 1304132403 /nfs/dbraw/zinc/13/24/03/1304132403.db2.gz AIAMXLRHCLQXBH-UHFFFAOYSA-N 0 0 328.391 2.820 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)O1 ZINC000868116462 1304135378 /nfs/dbraw/zinc/13/53/78/1304135378.db2.gz KWZZFVKVGHXNML-CKEIUWERSA-N 0 0 349.500 2.605 10 10 EFCERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)Nc2ccc(N)cc2)no1 ZINC000868163845 1304164481 /nfs/dbraw/zinc/16/44/81/1304164481.db2.gz SAIBOELCMUGPME-PHTAMDTFSA-N 0 0 327.388 2.903 10 10 EFCERN COc1nc(C)cc(C)c1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868201731 1304186103 /nfs/dbraw/zinc/18/61/03/1304186103.db2.gz AAHLVWKHNVTXDU-ZDUSSCGKSA-N 0 0 329.400 2.973 10 10 EFCERN C[C@H](NC(=O)NCCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000868212495 1304191263 /nfs/dbraw/zinc/19/12/63/1304191263.db2.gz SXAQIGLPPCYHAD-LBPRGKRZSA-N 0 0 337.420 2.667 10 10 EFCERN Nc1ccc(NC(=O)C(=O)N2CCC[C@](F)(c3ccccc3)C2)cc1 ZINC000868300498 1304232762 /nfs/dbraw/zinc/23/27/62/1304232762.db2.gz INMPWHLKWWPSME-LJQANCHMSA-N 0 0 341.386 2.695 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1(c2ccccn2)CC1 ZINC000868306774 1304234748 /nfs/dbraw/zinc/23/47/48/1304234748.db2.gz BJVQHHDZPCXRHW-UHFFFAOYSA-N 0 0 347.212 2.898 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868313915 1304237002 /nfs/dbraw/zinc/23/70/02/1304237002.db2.gz DWYUYBMRJRRYAA-NWDGAFQWSA-N 0 0 330.432 2.734 10 10 EFCERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868345929 1304253980 /nfs/dbraw/zinc/25/39/80/1304253980.db2.gz UIYIDNBLBJJKOA-MESLWTKFSA-N 0 0 338.473 2.832 10 10 EFCERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868345931 1304254249 /nfs/dbraw/zinc/25/42/49/1304254249.db2.gz UIYIDNBLBJJKOA-QLUBBOPCSA-N 0 0 338.473 2.832 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3C[C@H](SC)C3)C2)cc1 ZINC000868721972 1304440547 /nfs/dbraw/zinc/44/05/47/1304440547.db2.gz ZWDOEQJKYCLBPA-ZQIUZPCESA-N 0 0 349.500 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)cc1 ZINC000868762288 1304460263 /nfs/dbraw/zinc/46/02/63/1304460263.db2.gz NEIZUBMCFLEHGI-BBWFWOEESA-N 0 0 341.455 2.882 10 10 EFCERN C[C@@H](NC(=O)NCc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000868760940 1304460300 /nfs/dbraw/zinc/46/03/00/1304460300.db2.gz GKGZYXGZNNRPPL-SECBINFHSA-N 0 0 340.305 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000868762731 1304461062 /nfs/dbraw/zinc/46/10/62/1304461062.db2.gz UBTRDBHQHWFYPC-LERXQTSPSA-N 0 0 343.349 2.524 10 10 EFCERN CC1(c2ccc(CNC(=O)NCc3ccccc3O)cc2)OCCO1 ZINC000868853095 1304505615 /nfs/dbraw/zinc/50/56/15/1304505615.db2.gz GKHSUJKGVQFKIT-UHFFFAOYSA-N 0 0 342.395 2.611 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000869025059 1304580423 /nfs/dbraw/zinc/58/04/23/1304580423.db2.gz ZYCNHNKRUJYFOZ-XBXGTLAGSA-N 0 0 334.416 2.620 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869294796 1304702508 /nfs/dbraw/zinc/70/25/08/1304702508.db2.gz GBLXHHNEXMTZAH-VUKOWNLVSA-N 0 0 328.456 2.556 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000869443262 1304783249 /nfs/dbraw/zinc/78/32/49/1304783249.db2.gz LGRWRFHMEVKZSG-GEZBDVBVSA-N 0 0 334.368 2.775 10 10 EFCERN CC(=O)N1CCC[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000869457733 1304790027 /nfs/dbraw/zinc/79/00/27/1304790027.db2.gz XZVMTJMSXISIHM-IBGZPJMESA-N 0 0 339.439 2.721 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000869885722 1305022138 /nfs/dbraw/zinc/02/21/38/1305022138.db2.gz BKIBDQIUJNYINB-QCSYZSNVSA-N 0 0 344.455 2.546 10 10 EFCERN Cc1ccc(C(=O)Nc2ccn(C3CCSCC3)n2)c(O)c1O ZINC000869939904 1305048144 /nfs/dbraw/zinc/04/81/44/1305048144.db2.gz CLJNMSKIWLEXLX-UHFFFAOYSA-N 0 0 333.413 2.923 10 10 EFCERN COc1cccc(CO[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199129 1305886891 /nfs/dbraw/zinc/88/68/91/1305886891.db2.gz SRSYETBBPHOJFT-ZDUSSCGKSA-N 0 0 327.380 2.848 10 10 EFCERN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201128 1305887277 /nfs/dbraw/zinc/88/72/77/1305887277.db2.gz PBJWQZRIKVJWHR-OAHLLOKOSA-N 0 0 340.379 2.522 10 10 EFCERN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200981 1305887710 /nfs/dbraw/zinc/88/77/10/1305887710.db2.gz OMVRAWWAIRQWHS-AWEZNQCLSA-N 0 0 348.468 2.572 10 10 EFCERN O=C(c1nc(N2CCCC2)ncc1Cl)N1Cc2cccc(O)c2C1 ZINC000871201411 1305887857 /nfs/dbraw/zinc/88/78/57/1305887857.db2.gz VQOIXYJWXBQOPW-UHFFFAOYSA-N 0 0 344.802 2.592 10 10 EFCERN O=C(c1ccc(N2CCOCC2)c(F)c1)N1Cc2cccc(O)c2C1 ZINC000871203034 1305888864 /nfs/dbraw/zinc/88/88/64/1305888864.db2.gz PYURVTCTWCCKCS-UHFFFAOYSA-N 0 0 342.370 2.524 10 10 EFCERN C[C@H](CCC(=O)N1Cc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC000871203459 1305889419 /nfs/dbraw/zinc/88/94/19/1305889419.db2.gz AQMJFCHHZZJBDT-GFCCVEGCSA-N 0 0 334.416 2.928 10 10 EFCERN O=C(c1ccc(O[C@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203723 1305889757 /nfs/dbraw/zinc/88/97/57/1305889757.db2.gz FDFWHNYNABFVQT-INIZCTEOSA-N 0 0 325.364 2.716 10 10 EFCERN CC(C)(C)c1nnc2ccc(C(=O)N3Cc4cccc(O)c4C3)cn21 ZINC000871205120 1305890458 /nfs/dbraw/zinc/89/04/58/1305890458.db2.gz WXYGLJROZLSMAM-UHFFFAOYSA-N 0 0 336.395 2.888 10 10 EFCERN CC(C)(C)OC(=O)N[C@H](CC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871205315 1305890548 /nfs/dbraw/zinc/89/05/48/1305890548.db2.gz YTVIBXKIXVPNOP-OAHLLOKOSA-N 0 0 346.427 2.928 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871206078 1305890639 /nfs/dbraw/zinc/89/06/39/1305890639.db2.gz QVUOSKYNWRSHIA-QWHCGFSZSA-N 0 0 331.412 2.992 10 10 EFCERN CC(C)N(CC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC000871205712 1305890760 /nfs/dbraw/zinc/89/07/60/1305890760.db2.gz KHHRGSKHWMVECJ-UHFFFAOYSA-N 0 0 334.416 2.880 10 10 EFCERN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204569 1305890783 /nfs/dbraw/zinc/89/07/83/1305890783.db2.gz GPEOIYSKHSMRRM-YUELXQCFSA-N 0 0 344.411 2.632 10 10 EFCERN Cc1nn(CC2CC2)c(C)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871206172 1305891009 /nfs/dbraw/zinc/89/10/09/1305891009.db2.gz UXBGNYPLWXLDLW-UHFFFAOYSA-N 0 0 325.412 2.700 10 10 EFCERN O=C(Cc1ccccc1O[C@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC000871206103 1305891102 /nfs/dbraw/zinc/89/11/02/1305891102.db2.gz ROIWQUXIHMOVJL-INIZCTEOSA-N 0 0 339.391 2.645 10 10 EFCERN CC(C)(C)OC(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CC=CC1 ZINC000871206128 1305891206 /nfs/dbraw/zinc/89/12/06/1305891206.db2.gz SJCZQHYPTUDAPM-UHFFFAOYSA-N 0 0 329.396 2.913 10 10 EFCERN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871206570 1305892004 /nfs/dbraw/zinc/89/20/04/1305892004.db2.gz AQHKAAMCIGCTGQ-UHFFFAOYSA-N 0 0 346.427 2.880 10 10 EFCERN CC[C@H](NC(=O)c1cccc(O)c1O)c1cccc(OC)c1OC ZINC000871277960 1305949755 /nfs/dbraw/zinc/94/97/55/1305949755.db2.gz IJEWBKYFNMZGCV-ZDUSSCGKSA-N 0 0 331.368 2.996 10 10 EFCERN CNC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000796609590 1306782254 /nfs/dbraw/zinc/78/22/54/1306782254.db2.gz BTGZLVFQWUWBJY-QGZVFWFLSA-N 0 0 344.386 2.701 10 10 EFCERN Cc1cc(C(=O)N2CC(C3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000800599580 1308155969 /nfs/dbraw/zinc/15/59/69/1308155969.db2.gz FPKDYDUGQNFQOF-UHFFFAOYSA-N 0 0 339.439 2.988 10 10 EFCERN Cc1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000800651536 1308203006 /nfs/dbraw/zinc/20/30/06/1308203006.db2.gz BWYAJFGSDWDFMQ-OAHLLOKOSA-N 0 0 339.439 2.705 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000800652098 1308204362 /nfs/dbraw/zinc/20/43/62/1308204362.db2.gz ZWDAKXZCTCMLNQ-MRXNPFEDSA-N 0 0 339.439 2.705 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCCc2cccc3[nH]ccc32)c1 ZINC000800707479 1308275281 /nfs/dbraw/zinc/27/52/81/1308275281.db2.gz QPRJJCIEOYPJNS-UHFFFAOYSA-N 0 0 339.395 2.924 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1ccccc1C ZINC000801143333 1309222430 /nfs/dbraw/zinc/22/24/30/1309222430.db2.gz BHEHZYUADHPNRU-CALCHBBNSA-N 0 0 340.423 2.642 10 10 EFCERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccc(O)c(O)c1 ZINC000901132641 1309567046 /nfs/dbraw/zinc/56/70/46/1309567046.db2.gz TVLPAUAUPWZTOP-LLVKDONJSA-N 0 0 331.393 2.611 10 10 EFCERN O=C(NCc1ccccc1O)c1ccn(-c2c(F)cccc2F)n1 ZINC000749529906 1311032860 /nfs/dbraw/zinc/03/28/60/1311032860.db2.gz GBYFKSBQDYHKHA-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN Cc1cc(C(=O)NC[C@@](C)(O)CO)c(C)n1-c1cccc(C(C)C)c1 ZINC000801976518 1311170014 /nfs/dbraw/zinc/17/00/14/1311170014.db2.gz AZLVJRMTPMCYLP-HXUWFJFHSA-N 0 0 344.455 2.691 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@](F)(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000802015209 1311219348 /nfs/dbraw/zinc/21/93/48/1311219348.db2.gz ZWLSQVMMVJNOQH-LJQANCHMSA-N 0 0 348.393 2.822 10 10 EFCERN CN1CCCc2cc(CNC(=O)NC3(CCO)CCCCC3)ccc21 ZINC000802062080 1311289667 /nfs/dbraw/zinc/28/96/67/1311289667.db2.gz YBEXMQVLZWCNDX-UHFFFAOYSA-N 0 0 345.487 2.954 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C\c1cccc2cnccc12 ZINC000782886753 1311369015 /nfs/dbraw/zinc/36/90/15/1311369015.db2.gz HBVBKTDSKKMXOM-GDNBJRDFSA-N 0 0 325.393 2.537 10 10 EFCERN O=Cc1ccc(OCCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159033936 1311438336 /nfs/dbraw/zinc/43/83/36/1311438336.db2.gz OLGMXGKUXYOTNA-UHFFFAOYSA-N 0 0 333.771 2.943 10 10 EFCERN O=C(CCc1nc(-c2ccco2)no1)NCc1cccc(Cl)c1O ZINC001159033634 1311438360 /nfs/dbraw/zinc/43/83/60/1311438360.db2.gz LKICGHWWCFGRLS-UHFFFAOYSA-N 0 0 347.758 2.938 10 10 EFCERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC001224930292 1311450887 /nfs/dbraw/zinc/45/08/87/1311450887.db2.gz YRIJABDDQJFWEA-FSPWUOQZSA-N 0 0 345.487 2.928 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001226648056 1311702018 /nfs/dbraw/zinc/70/20/18/1311702018.db2.gz YRQFKADOWFVTHD-KGLIPLIRSA-N 0 0 337.464 2.900 10 10 EFCERN Nc1cccnc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160563456 1311737510 /nfs/dbraw/zinc/73/75/10/1311737510.db2.gz PIHFHDYVEYHSOH-UHFFFAOYSA-N 0 0 330.351 2.626 10 10 EFCERN C[C@H](CCOCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001160757693 1311775342 /nfs/dbraw/zinc/77/53/42/1311775342.db2.gz WIBLBJHLKLIKEQ-CQSZACIVSA-N 0 0 329.396 2.752 10 10 EFCERN C[C@@H](NC(=O)C1=CC(=O)CS1)C1CCN(CC(F)(F)F)CC1 ZINC000802604746 1311829775 /nfs/dbraw/zinc/82/97/75/1311829775.db2.gz VXTUDYJEABYCIQ-SECBINFHSA-N 0 0 336.379 2.846 10 10 EFCERN CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001161154619 1311870431 /nfs/dbraw/zinc/87/04/31/1311870431.db2.gz VMNUVRQPFQKYSW-FUHWJXTLSA-N 0 0 328.412 2.546 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000802659910 1311894923 /nfs/dbraw/zinc/89/49/23/1311894923.db2.gz PGUHHKIOLMJBLN-ZBEGNZNMSA-N 0 0 343.826 2.842 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2nnc(-c3cscn3)o2)cc1 ZINC000902614551 1311941104 /nfs/dbraw/zinc/94/11/04/1311941104.db2.gz WGFBEIQYSPKUNY-UHFFFAOYSA-N 0 0 343.412 2.531 10 10 EFCERN O=C(NC[C@@H](O)c1ccccc1Br)C1=CC(=O)CS1 ZINC001161733030 1311961339 /nfs/dbraw/zinc/96/13/39/1311961339.db2.gz HZXISHKJEPSICH-LLVKDONJSA-N 0 0 342.214 2.680 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc2c[nH]nc2c1 ZINC001162116368 1312050851 /nfs/dbraw/zinc/05/08/51/1312050851.db2.gz ZFKBTWLOLVBPEA-ZDUSSCGKSA-N 0 0 337.427 2.693 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001162279271 1312079221 /nfs/dbraw/zinc/07/92/21/1312079221.db2.gz YKNXFVAIQREJMM-UHFFFAOYSA-N 0 0 345.738 2.788 10 10 EFCERN O=C(COc1ccc(Cl)c(F)c1)NCc1ccc(O)cc1O ZINC001162278966 1312079301 /nfs/dbraw/zinc/07/93/01/1312079301.db2.gz OZIMPOPUTITASW-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cnc(-c2cccnc2)s1 ZINC001162279289 1312079340 /nfs/dbraw/zinc/07/93/40/1312079340.db2.gz ZEFQNHMXBVHOPS-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN CCCn1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nn1 ZINC000902756164 1312081132 /nfs/dbraw/zinc/08/11/32/1312081132.db2.gz WETGWCFUVBVQIT-AWEZNQCLSA-N 0 0 347.438 2.515 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ncnc2ccsc21 ZINC001162612817 1312135921 /nfs/dbraw/zinc/13/59/21/1312135921.db2.gz QVDOIDPXALVMLZ-UHFFFAOYSA-N 0 0 336.376 2.875 10 10 EFCERN CCc1[nH]c(=O)c(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001162612545 1312136098 /nfs/dbraw/zinc/13/60/98/1312136098.db2.gz LNYDZHZYQKOYAA-UHFFFAOYSA-N 0 0 337.379 2.842 10 10 EFCERN O=C(NCc1c(O)cccc1F)Nc1ccc(N2CCCC2)nc1 ZINC000902945411 1312230434 /nfs/dbraw/zinc/23/04/34/1312230434.db2.gz STUCYKAALWRNCY-UHFFFAOYSA-N 0 0 330.363 2.848 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000903178115 1312434403 /nfs/dbraw/zinc/43/44/03/1312434403.db2.gz CJARAKQVJMTCFS-NURSFMCSSA-N 0 0 347.333 2.939 10 10 EFCERN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001164129301 1312453387 /nfs/dbraw/zinc/45/33/87/1312453387.db2.gz GQKZEUGBOUCLTA-YOEHRIQHSA-N 0 0 341.388 2.701 10 10 EFCERN COC[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001246883612 1314701739 /nfs/dbraw/zinc/70/17/39/1314701739.db2.gz PPKPSLONIFAWOL-CALCHBBNSA-N 0 0 331.460 2.853 10 10 EFCERN COc1ccc(N2CCN(Cc3cnc4cc(C)ccn34)CC2)cc1 ZINC000179530320 1314704968 /nfs/dbraw/zinc/70/49/68/1314704968.db2.gz UCIGSIKQEUTATA-UHFFFAOYSA-N 0 0 336.439 2.974 10 10 EFCERN COc1ccc(N2CCN(Cc3cnc4ccc(C)cn34)CC2)cc1 ZINC000179531207 1314705478 /nfs/dbraw/zinc/70/54/78/1314705478.db2.gz QZWSTHUPJKDTRD-UHFFFAOYSA-N 0 0 336.439 2.974 10 10 EFCERN C[C@H](NC(=O)NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC001251257994 1315336224 /nfs/dbraw/zinc/33/62/24/1315336224.db2.gz ZKWBLSIEILPMFA-VIFPVBQESA-N 0 0 340.305 2.761 10 10 EFCERN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC001251586223 1315356177 /nfs/dbraw/zinc/35/61/77/1315356177.db2.gz KSPIUQLWTNYHBS-CQSZACIVSA-N 0 0 345.418 2.851 10 10 EFCERN Cc1cc(CCNC(=O)N[C@@H]2COC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001253808777 1315640781 /nfs/dbraw/zinc/64/07/81/1315640781.db2.gz XSYBPBCTVZMDJS-IFXJQAMLSA-N 0 0 341.455 2.971 10 10 EFCERN Cc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001254241964 1315686320 /nfs/dbraw/zinc/68/63/20/1315686320.db2.gz VDGDWQUXAXBGIX-UHFFFAOYSA-N 0 0 327.340 2.834 10 10 EFCERN C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)c1ccc(N(C)C)cc1 ZINC001255217786 1315792766 /nfs/dbraw/zinc/79/27/66/1315792766.db2.gz QDLZBJOQJULVIJ-PITVIPOPSA-N 0 0 331.460 2.616 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](O)C4(CC4)C3)c2C)cc1 ZINC001255295840 1315801561 /nfs/dbraw/zinc/80/15/61/1315801561.db2.gz HOEJLKFFEJUTEW-GOSISDBHSA-N 0 0 340.423 2.700 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001256332394 1315930348 /nfs/dbraw/zinc/93/03/48/1315930348.db2.gz NXCDUWPQYXZJLJ-CQSZACIVSA-N 0 0 348.349 2.782 10 10 EFCERN Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3O)CC2=O)cc1C ZINC001137471621 1316012699 /nfs/dbraw/zinc/01/26/99/1316012699.db2.gz TUDHHIAEGGOGJS-MRXNPFEDSA-N 0 0 338.407 2.678 10 10 EFCERN CN(c1ccc(CNC(=O)[C@H](N)C(F)(F)F)cc1)C1CCCCC1 ZINC000827821423 1316020045 /nfs/dbraw/zinc/02/00/45/1316020045.db2.gz ZEPZJPNWODHESR-HNNXBMFYSA-N 0 0 343.393 2.961 10 10 EFCERN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(O)cc1O ZINC001299575246 1316230126 /nfs/dbraw/zinc/23/01/26/1316230126.db2.gz YJMNMLOTHQOISM-UHFFFAOYSA-N 0 0 346.408 2.746 10 10 EFCERN COc1c(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955527 1316256309 /nfs/dbraw/zinc/25/63/09/1316256309.db2.gz JBYCFXVIHORKSO-RFAUZJTJSA-N 0 0 346.330 2.554 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1 ZINC001299699614 1316362218 /nfs/dbraw/zinc/36/22/18/1316362218.db2.gz UAIMTKUAVUNRLS-SEYXRHQNSA-N 0 0 339.391 2.997 10 10 EFCERN COc1cccc2c(C(=O)NCc3ccc4cccnc4c3O)cnn21 ZINC001299725403 1316381052 /nfs/dbraw/zinc/38/10/52/1316381052.db2.gz MGDYJQZAKFNCEF-UHFFFAOYSA-N 0 0 348.362 2.527 10 10 EFCERN Cc1c(Cl)c(C(=O)NCc2ccc3cccnc3c2O)nn1C ZINC001299727128 1316385003 /nfs/dbraw/zinc/38/50/03/1316385003.db2.gz YCBDTCJQXQUPHY-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001261208660 1316396271 /nfs/dbraw/zinc/39/62/71/1316396271.db2.gz BFMVISHXNCIGFR-YEODSOHDSA-N 0 0 348.399 2.626 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001261208659 1316396657 /nfs/dbraw/zinc/39/66/57/1316396657.db2.gz BFMVISHXNCIGFR-LZCIBIBXSA-N 0 0 348.399 2.626 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2C)c1 ZINC001261287204 1316402128 /nfs/dbraw/zinc/40/21/28/1316402128.db2.gz RKHKVORZGGIRSJ-SNVBAGLBSA-N 0 0 330.388 2.894 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCC12CC2 ZINC001261788312 1316430445 /nfs/dbraw/zinc/43/04/45/1316430445.db2.gz RNBSLEKZOLUKCN-QGZVFWFLSA-N 0 0 343.471 2.903 10 10 EFCERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001261787996 1316430610 /nfs/dbraw/zinc/43/06/10/1316430610.db2.gz INCFFDGNYKJCHH-AFIMGQEJSA-N 0 0 331.460 2.898 10 10 EFCERN CCOC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001264286872 1316602797 /nfs/dbraw/zinc/60/27/97/1316602797.db2.gz BBCQNRNWCLVXKT-UHFFFAOYSA-N 0 0 344.455 2.979 10 10 EFCERN CCCC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001285325868 1320841302 /nfs/dbraw/zinc/84/13/02/1320841302.db2.gz RRSZDGXULDMEBC-AWEZNQCLSA-N 0 0 347.419 2.520 10 10 EFCERN COc1ncc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001287660774 1321511399 /nfs/dbraw/zinc/51/13/99/1321511399.db2.gz LGTCDDOZRABBIQ-UHFFFAOYSA-N 0 0 336.395 2.823 10 10 EFCERN CS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(F)cc1 ZINC000731950494 1321533832 /nfs/dbraw/zinc/53/38/32/1321533832.db2.gz VLEAEMLMFBNEEU-UHFFFAOYSA-N 0 0 339.417 2.543 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(F)(F)C2(O)CCCCC2)cc1 ZINC001290249554 1321892132 /nfs/dbraw/zinc/89/21/32/1321892132.db2.gz IRMOQTFMEQWAGN-UHFFFAOYSA-N 0 0 326.387 2.699 10 10 EFCERN CC(=O)Nc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001290466105 1321915733 /nfs/dbraw/zinc/91/57/33/1321915733.db2.gz WTZMSBLFJIRBQH-UHFFFAOYSA-N 0 0 339.355 2.737 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)cc1 ZINC001290577313 1321933439 /nfs/dbraw/zinc/93/34/39/1321933439.db2.gz IMDBIGZTQKJHCL-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000735233668 1321942540 /nfs/dbraw/zinc/94/25/40/1321942540.db2.gz MYDAGTZKTMTWKI-UHFFFAOYSA-N 0 0 332.341 2.637 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001290719740 1321944734 /nfs/dbraw/zinc/94/47/34/1321944734.db2.gz YGSAPTZUTHHLOG-WMZOPIPTSA-N 0 0 344.459 2.990 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC001292405318 1322066930 /nfs/dbraw/zinc/06/69/30/1322066930.db2.gz JIHKDHHFLBTNTL-MJGOQNOKSA-N 0 0 345.370 2.816 10 10 EFCERN NC(=O)CCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001292677816 1322103695 /nfs/dbraw/zinc/10/36/95/1322103695.db2.gz BOMOQUDKMJJCCI-UHFFFAOYSA-N 0 0 339.355 2.519 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC001293080851 1322188421 /nfs/dbraw/zinc/18/84/21/1322188421.db2.gz PTRLPLJKKBWFGZ-SFHVURJKSA-N 0 0 327.380 2.631 10 10 EFCERN CCOC(=O)[C@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001294284711 1322445720 /nfs/dbraw/zinc/44/57/20/1322445720.db2.gz LPRUZXDUJQOLGX-CQSZACIVSA-N 0 0 342.439 2.952 10 10 EFCERN COc1ccc(N(C)C(=O)c2ccnc3c2CC(=O)N3)cc1Cl ZINC001294740581 1322552091 /nfs/dbraw/zinc/55/20/91/1322552091.db2.gz COYQXSDPNJMUCP-UHFFFAOYSA-N 0 0 331.759 2.515 10 10 EFCERN CCN(CC(=O)NCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC001294868506 1322586296 /nfs/dbraw/zinc/58/62/96/1322586296.db2.gz AMJQYGZHHZWXRH-UHFFFAOYSA-N 0 0 348.830 2.890 10 10 EFCERN CCOC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001294870236 1322586928 /nfs/dbraw/zinc/58/69/28/1322586928.db2.gz RPEPISDDPAJDLJ-UHFFFAOYSA-N 0 0 348.330 2.735 10 10 EFCERN Cc1cc(Br)cc(C(=O)NCc2ccccc2O)c1N ZINC001294925574 1322600474 /nfs/dbraw/zinc/60/04/74/1322600474.db2.gz PDJKXRXGTMNQLH-UHFFFAOYSA-N 0 0 335.201 2.975 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001295406403 1322695329 /nfs/dbraw/zinc/69/53/29/1322695329.db2.gz TZLSVIVAYJUUNK-HUHSQHJXSA-N 0 0 333.428 2.571 10 10 EFCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001295406406 1322695422 /nfs/dbraw/zinc/69/54/22/1322695422.db2.gz TZLSVIVAYJUUNK-MOIQIXESSA-N 0 0 333.428 2.571 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC001319953157 1329042144 /nfs/dbraw/zinc/04/21/44/1329042144.db2.gz ZVIFXSFZKSHSRI-UHFFFAOYSA-N 0 0 340.423 2.682 10 10 EFCERN CCn1c2cc(F)ccc2nc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001295671543 1322746817 /nfs/dbraw/zinc/74/68/17/1322746817.db2.gz YJOAYWNJZDDALC-UHFFFAOYSA-N 0 0 329.331 2.788 10 10 EFCERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1O ZINC001295728849 1322761673 /nfs/dbraw/zinc/76/16/73/1322761673.db2.gz CYAUUTZXMAVTME-UONOGXRCSA-N 0 0 332.404 2.718 10 10 EFCERN CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]1 ZINC001296247803 1322873408 /nfs/dbraw/zinc/87/34/08/1322873408.db2.gz XROSYNJUIOKYAG-NSHDSACASA-N 0 0 330.384 2.683 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(F)c(F)c1 ZINC001296246743 1322873462 /nfs/dbraw/zinc/87/34/62/1322873462.db2.gz OQGBCYSLHVECIK-JTQLQIEISA-N 0 0 337.322 2.502 10 10 EFCERN CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCC1CC1 ZINC001298364256 1323505486 /nfs/dbraw/zinc/50/54/86/1323505486.db2.gz WOJZIUUXPJXODK-INIZCTEOSA-N 0 0 342.443 2.924 10 10 EFCERN CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001299088719 1323688068 /nfs/dbraw/zinc/68/80/68/1323688068.db2.gz ONANXIVADGNAEB-DLBZAZTESA-N 0 0 348.830 2.891 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cccc(Br)c2N)c1 ZINC001301046660 1324520368 /nfs/dbraw/zinc/52/03/68/1324520368.db2.gz HIVSTINFOCUIHE-UHFFFAOYSA-N 0 0 335.201 2.975 10 10 EFCERN Cc1cccc2c1C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 ZINC001301279517 1324533555 /nfs/dbraw/zinc/53/35/55/1324533555.db2.gz UZSOTJNQUXPVQA-CQSZACIVSA-N 0 0 338.367 2.891 10 10 EFCERN Cc1cccc2c1C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CO2 ZINC001301279326 1324533578 /nfs/dbraw/zinc/53/35/78/1324533578.db2.gz SRYKTYINCVRGEC-IQCBXXCUSA-N 0 0 325.364 2.539 10 10 EFCERN Cc1ccccc1[C@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(N)=O ZINC001302532825 1324580129 /nfs/dbraw/zinc/58/01/29/1324580129.db2.gz SABWYLYDFJZAFR-BBRMVZONSA-N 0 0 341.411 2.678 10 10 EFCERN Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1 ZINC001302538036 1324580229 /nfs/dbraw/zinc/58/02/29/1324580229.db2.gz DYXRCVXQXARONX-LBPRGKRZSA-N 0 0 340.358 2.911 10 10 EFCERN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1cccc(O)c1O ZINC001303195610 1324597034 /nfs/dbraw/zinc/59/70/34/1324597034.db2.gz XKGFSOVYCQDXQN-UHFFFAOYSA-N 0 0 333.771 2.545 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001303194128 1324597340 /nfs/dbraw/zinc/59/73/40/1324597340.db2.gz YIMGQIHRSUQSJT-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN Cc1oc(-c2ccco2)nc1CC(=O)NCc1cc(O)ccc1O ZINC001303223524 1324597929 /nfs/dbraw/zinc/59/79/29/1324597929.db2.gz SVYSPEUQPCOACZ-UHFFFAOYSA-N 0 0 328.324 2.513 10 10 EFCERN COC(=O)/C(C)=C/COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000748164745 1324603008 /nfs/dbraw/zinc/60/30/08/1324603008.db2.gz DGVRDXQTHZQYQO-VMPITWQZSA-N 0 0 334.397 2.771 10 10 EFCERN COC(=O)c1cc2cccnc2c(NC(=O)c2cccc(O)c2O)c1 ZINC001304059316 1324634929 /nfs/dbraw/zinc/63/49/29/1324634929.db2.gz ACNZUOLAZPIJDW-UHFFFAOYSA-N 0 0 338.319 2.685 10 10 EFCERN O=C(COc1ccc(F)c(Cl)c1)NCc1c(O)cccc1O ZINC001304051089 1324635413 /nfs/dbraw/zinc/63/54/13/1324635413.db2.gz UBGQBZHZTJKFFF-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1 ZINC001304662123 1324658567 /nfs/dbraw/zinc/65/85/67/1324658567.db2.gz TZILQVDKBPPZHG-ZDUSSCGKSA-N 0 0 342.359 2.649 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000749902386 1324671629 /nfs/dbraw/zinc/67/16/29/1324671629.db2.gz QRZNLOKHKJIRES-KJCWAXEUSA-N 0 0 346.383 2.644 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCC[C@H]1C ZINC001306080345 1324697448 /nfs/dbraw/zinc/69/74/48/1324697448.db2.gz KBKMBAFICZSBFZ-CZUORRHYSA-N 0 0 330.432 2.608 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900756277 1324713300 /nfs/dbraw/zinc/71/33/00/1324713300.db2.gz SCTBTDGFOCRPHL-UHFFFAOYSA-N 0 0 346.471 2.517 10 10 EFCERN CCOC(=O)CCCCCCCNC(=O)c1c(F)ccc(O)c1O ZINC001306673229 1324718106 /nfs/dbraw/zinc/71/81/06/1324718106.db2.gz SFJVKCSHTNIIFG-UHFFFAOYSA-N 0 0 341.379 2.870 10 10 EFCERN COC(=O)/C(C)=C\COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930780 1324738326 /nfs/dbraw/zinc/73/83/26/1324738326.db2.gz KCRDKUIGOATJBJ-XFFZJAGNSA-N 0 0 346.408 2.592 10 10 EFCERN CCCn1c(CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001307024410 1324738761 /nfs/dbraw/zinc/73/87/61/1324738761.db2.gz LHPIDUWWVZCUSH-UHFFFAOYSA-N 0 0 347.438 2.725 10 10 EFCERN COc1ccc(C[NH2+][C@](C)(CC(=O)[O-])C2CC2)cc1Cn1cccn1 ZINC000901949532 1324761922 /nfs/dbraw/zinc/76/19/22/1324761922.db2.gz GLDBAGKAMZBJTR-LJQANCHMSA-N 0 0 343.427 2.673 10 10 EFCERN CO[C@H](C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-])C1CC1 ZINC000904023852 1324861311 /nfs/dbraw/zinc/86/13/11/1324861311.db2.gz KYFUVKLRBXQELQ-UBZMYNMCSA-N 0 0 332.444 2.624 10 10 EFCERN CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])C2(OC)CCC2)cc1F ZINC000904049973 1324862368 /nfs/dbraw/zinc/86/23/68/1324862368.db2.gz JONKJGUFXPTKHV-MRXNPFEDSA-N 0 0 338.423 2.784 10 10 EFCERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(Cl)ccc1O ZINC001312622228 1324990684 /nfs/dbraw/zinc/99/06/84/1324990684.db2.gz TVDSUSZTEANISK-UHFFFAOYSA-N 0 0 349.774 2.996 10 10 EFCERN COC(=O)Nc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC001312667975 1324990962 /nfs/dbraw/zinc/99/09/62/1324990962.db2.gz MVTIBUGNBYDBLB-UHFFFAOYSA-N 0 0 343.383 2.878 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCOc2c(F)cccc21 ZINC001313357376 1325013223 /nfs/dbraw/zinc/01/32/23/1325013223.db2.gz NVFUWAVZCKNKQQ-CQSZACIVSA-N 0 0 334.322 2.993 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)OC ZINC001314306574 1325032703 /nfs/dbraw/zinc/03/27/03/1325032703.db2.gz KCWGXOGZBOXDTC-UHFFFAOYSA-N 0 0 348.447 2.582 10 10 EFCERN Cc1conc1NC(=O)NCc1cc(Br)ccc1O ZINC001322799607 1329489347 /nfs/dbraw/zinc/48/93/47/1329489347.db2.gz HVTNJDIZVLHLCC-UHFFFAOYSA-N 0 0 326.150 2.773 10 10 EFCERN CO[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC001324460812 1329630059 /nfs/dbraw/zinc/63/00/59/1329630059.db2.gz GGHIPUHGCUTWAP-VXGBXAGGSA-N 0 0 343.221 2.521 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC001324753581 1329656046 /nfs/dbraw/zinc/65/60/46/1329656046.db2.gz ZZVCOSAOKUXFMY-QGZVFWFLSA-N 0 0 348.487 2.921 10 10 EFCERN CCOc1ccc(N2CCN(Cc3cn(C(C)C)nn3)CC2)cc1 ZINC001326130074 1329734059 /nfs/dbraw/zinc/73/40/59/1329734059.db2.gz TUOPDWABQYLGII-UHFFFAOYSA-N 0 0 329.448 2.580 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(CF)CCC1 ZINC001326343837 1329748868 /nfs/dbraw/zinc/74/88/68/1329748868.db2.gz QPPVIPOZBQDGPV-UHFFFAOYSA-N 0 0 334.435 2.651 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC001326837798 1330371006 /nfs/dbraw/zinc/37/10/06/1330371006.db2.gz YBTDQJXCTIXOES-KRWDZBQOSA-N 0 0 344.455 2.922 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC001326837799 1330371151 /nfs/dbraw/zinc/37/11/51/1330371151.db2.gz YBTDQJXCTIXOES-QGZVFWFLSA-N 0 0 344.455 2.922 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1F ZINC001327659844 1330505608 /nfs/dbraw/zinc/50/56/08/1330505608.db2.gz FGYNXQWASCGPAH-GOSISDBHSA-N 0 0 335.423 2.602 10 10 EFCERN C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC001328024216 1330542797 /nfs/dbraw/zinc/54/27/97/1330542797.db2.gz OHJFWWUWDPKIQB-ZDUSSCGKSA-N 0 0 330.407 2.890 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1COCC2 ZINC001328275295 1330580317 /nfs/dbraw/zinc/58/03/17/1330580317.db2.gz XIBZRMPTLGESFB-GFCCVEGCSA-N 0 0 327.380 2.532 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3ccncc32)C1 ZINC001329010327 1330656677 /nfs/dbraw/zinc/65/66/77/1330656677.db2.gz BQSSNALSOCREFG-AWEZNQCLSA-N 0 0 329.400 2.584 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC=C(C(=O)OC)C2)cc1 ZINC001329157495 1330674868 /nfs/dbraw/zinc/67/48/68/1330674868.db2.gz XQPLWRCLRQVXDC-INIZCTEOSA-N 0 0 345.443 2.594 10 10 EFCERN COc1cc(OC)c(C(=O)NCc2ccc(N(C)C)cc2)cc1C=O ZINC001329159620 1330675009 /nfs/dbraw/zinc/67/50/09/1330675009.db2.gz PUALREUQSXWEBN-UHFFFAOYSA-N 0 0 342.395 2.512 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](C)c3ccncc3)CC2)cc1 ZINC001329380744 1330700522 /nfs/dbraw/zinc/70/05/22/1330700522.db2.gz YWWTWZDXKXRNLA-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN CN1CCCc2cc(CNC(=O)[C@H]3C[C@]3(C)Br)ccc21 ZINC001331332243 1330823814 /nfs/dbraw/zinc/82/38/14/1330823814.db2.gz CCAMIQVWGPQPHS-CJNGLKHVSA-N 0 0 337.261 2.859 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001331504748 1330844965 /nfs/dbraw/zinc/84/49/65/1330844965.db2.gz RAXTVRHUVAHJNN-FGTMMUONSA-N 0 0 343.471 2.759 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC001332389708 1330966840 /nfs/dbraw/zinc/96/68/40/1330966840.db2.gz AHZQESJUDWOSFQ-MRXNPFEDSA-N 0 0 330.428 2.532 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001332867854 1331033918 /nfs/dbraw/zinc/03/39/18/1331033918.db2.gz UHIXZLZVZMJJCO-SHHSBJBSSA-N 0 0 325.355 2.966 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1F ZINC001333135734 1331083101 /nfs/dbraw/zinc/08/31/01/1331083101.db2.gz CBYKWXJIJYPIOQ-NEPJUHHUSA-N 0 0 348.340 2.977 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC001333717975 1331201260 /nfs/dbraw/zinc/20/12/60/1331201260.db2.gz DDBHPRNDDLXYGB-DLBZAZTESA-N 0 0 343.471 2.537 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333734558 1331204040 /nfs/dbraw/zinc/20/40/40/1331204040.db2.gz PCUAYGIQELDKME-LLVKDONJSA-N 0 0 329.799 2.548 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001334088907 1331247462 /nfs/dbraw/zinc/24/74/62/1331247462.db2.gz NIYZMZJIERARFF-OZWJKYFISA-N 0 0 344.455 2.768 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001334088923 1331247676 /nfs/dbraw/zinc/24/76/76/1331247676.db2.gz NIYZMZJIERARFF-XFRHHGITSA-N 0 0 344.455 2.768 10 10 EFCERN CO[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@](C)(CO)C1 ZINC001335783001 1331401971 /nfs/dbraw/zinc/40/19/71/1331401971.db2.gz IKOFXMYWTKGOID-QUCCMNQESA-N 0 0 342.439 2.706 10 10 EFCERN C[C@@H](NC(=O)C(=O)NC1CCC=CCC1)c1ccc(N(C)C)cc1 ZINC001338556606 1331716039 /nfs/dbraw/zinc/71/60/39/1331716039.db2.gz OLSKANJERQTLMW-CQSZACIVSA-N 0 0 329.444 2.545 10 10 EFCERN CC(=O)N1Cc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2C1 ZINC001341427672 1332258679 /nfs/dbraw/zinc/25/86/79/1332258679.db2.gz OFJYEMCGPFDMHJ-UHFFFAOYSA-N 0 0 337.379 2.802 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)CCC1 ZINC001342601753 1332334013 /nfs/dbraw/zinc/33/40/13/1332334013.db2.gz QOQWWPNHELTUOO-UHFFFAOYSA-N 0 0 332.444 2.827 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001345507573 1332544023 /nfs/dbraw/zinc/54/40/23/1332544023.db2.gz OAANBFWWAGKREI-ZWKOTPCHSA-N 0 0 331.460 2.996 10 10 EFCERN COC(=O)c1sccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001346115200 1332601109 /nfs/dbraw/zinc/60/11/09/1332601109.db2.gz CCAMQBLVVZABBD-UHFFFAOYSA-N 0 0 332.425 2.873 10 10 EFCERN C[C@@H](NC(=O)c1cnn2c1NC[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC001346765268 1332685563 /nfs/dbraw/zinc/68/55/63/1332685563.db2.gz VDPZDSKTUOLJMD-QWHCGFSZSA-N 0 0 327.432 2.502 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@H]1Cc2cccnc2C1 ZINC001346912691 1332702708 /nfs/dbraw/zinc/70/27/08/1332702708.db2.gz HOCUWMDCCHTEDK-LBPRGKRZSA-N 0 0 347.212 2.581 10 10 EFCERN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N(C)C2CC2)no1 ZINC001346953947 1332707053 /nfs/dbraw/zinc/70/70/53/1332707053.db2.gz MOSZWQALQLPKMG-UHFFFAOYSA-N 0 0 331.401 2.656 10 10 EFCERN C[C@@H](NC(=O)c1cc(C2CCOCC2)nn1C)c1ccccc1O ZINC001347464063 1332747670 /nfs/dbraw/zinc/74/76/70/1332747670.db2.gz SKJMCNIZDLVJQM-GFCCVEGCSA-N 0 0 329.400 2.511 10 10 EFCERN CCOc1ccc(C[C@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001347542800 1332754072 /nfs/dbraw/zinc/75/40/72/1332754072.db2.gz SAIAOLDYUACWSY-ZDUSSCGKSA-N 0 0 329.396 2.992 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1Cc2cccnc2C1 ZINC001347585178 1332758168 /nfs/dbraw/zinc/75/81/68/1332758168.db2.gz VHQABVAZXVEABP-LLVKDONJSA-N 0 0 347.212 2.581 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC(C)(C)C1 ZINC001347730056 1332769107 /nfs/dbraw/zinc/76/91/07/1332769107.db2.gz QWNSDQNNOSSMPP-UHFFFAOYSA-N 0 0 345.487 2.794 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CC[C@@H]2[C@H](C)Nc3ccnn3[C@H]2C)c1 ZINC001347852869 1332778010 /nfs/dbraw/zinc/77/80/10/1332778010.db2.gz XXPYTOAKEOHOBF-OFQRWUPVSA-N 0 0 342.443 2.985 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC001348175523 1332808269 /nfs/dbraw/zinc/80/82/69/1332808269.db2.gz SDQVMQKLRXFYOH-HXUWFJFHSA-N 0 0 342.439 2.700 10 10 EFCERN Cc1cc(Cn2c(C(F)F)nnc2N(C)Cc2ccccc2O)no1 ZINC001348528293 1332845679 /nfs/dbraw/zinc/84/56/79/1332845679.db2.gz ROYHTTFEDFVFOG-UHFFFAOYSA-N 0 0 349.341 2.902 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC001348563528 1332849248 /nfs/dbraw/zinc/84/92/48/1332849248.db2.gz RTYDSCSBYVYGHH-IIDMSEBBSA-N 0 0 332.444 2.547 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001348730572 1332863213 /nfs/dbraw/zinc/86/32/13/1332863213.db2.gz ZUYJJEYQKCTDFV-CIGMURNLSA-N 0 0 339.391 2.621 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3COC(=O)C3)ccc21 ZINC001348799225 1332871936 /nfs/dbraw/zinc/87/19/36/1332871936.db2.gz PMAJVSXVXGSVOF-CQSZACIVSA-N 0 0 345.395 2.624 10 10 EFCERN CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001349119902 1332907257 /nfs/dbraw/zinc/90/72/57/1332907257.db2.gz VYUXRRZMYPHOGE-IEBWSBKVSA-N 0 0 346.471 2.687 10 10 EFCERN Cc1cc(COCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001349120914 1332907781 /nfs/dbraw/zinc/90/77/81/1332907781.db2.gz ZPHGVKGWONVVJZ-UHFFFAOYSA-N 0 0 343.427 2.758 10 10 EFCERN COCCN(CCOC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001349643034 1332980150 /nfs/dbraw/zinc/98/01/50/1332980150.db2.gz WSSFMIOHPVZMCI-UHFFFAOYSA-N 0 0 344.455 2.758 10 10 EFCERN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CCCC2)no1 ZINC001349745508 1332992864 /nfs/dbraw/zinc/99/28/64/1332992864.db2.gz QUCXOBJAXRRJKD-UHFFFAOYSA-N 0 0 331.401 2.657 10 10 EFCERN Cc1cc(C(=O)NCC2(n3cccn3)CC2)c(C)n1-c1ccccn1 ZINC001350785250 1333132490 /nfs/dbraw/zinc/13/24/90/1333132490.db2.gz FIXDBUYUKRFCTO-UHFFFAOYSA-N 0 0 335.411 2.605 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001350981044 1333162472 /nfs/dbraw/zinc/16/24/72/1333162472.db2.gz RXQAFNQSPWXLPA-OLZOCXBDSA-N 0 0 341.502 2.836 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001351674800 1333267197 /nfs/dbraw/zinc/26/71/97/1333267197.db2.gz ZFZOSVQHSADMNE-JQHSSLGASA-N 0 0 326.440 2.860 10 10 EFCERN CO[C@H]1COCC[C@@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352614790 1333631836 /nfs/dbraw/zinc/63/18/36/1333631836.db2.gz IZJVAFNSYYKYBJ-MJGOQNOKSA-N 0 0 346.471 2.687 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C)nc1Cl ZINC001352614628 1333631891 /nfs/dbraw/zinc/63/18/91/1333631891.db2.gz HOTWFBTVEIIQHM-UHFFFAOYSA-N 0 0 332.835 2.946 10 10 EFCERN CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352614614 1333632062 /nfs/dbraw/zinc/63/20/62/1333632062.db2.gz HJHJZWYHPONKPF-IBGZPJMESA-N 0 0 345.487 2.796 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847381647 1333635019 /nfs/dbraw/zinc/63/50/19/1333635019.db2.gz QVTKIOWNBXLKPC-DTQAZKPQSA-N 0 0 337.423 2.638 10 10 EFCERN COc1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000847394306 1333654243 /nfs/dbraw/zinc/65/42/43/1333654243.db2.gz MEVHKNPMFMRNBO-IAGOWNOFSA-N 0 0 334.416 2.548 10 10 EFCERN COc1ccc(C(=O)CCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001352658649 1333656260 /nfs/dbraw/zinc/65/62/60/1333656260.db2.gz WYWHXNXEDKFQGZ-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CCn1[nH]c(C)nc1=NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001300122638 1333748300 /nfs/dbraw/zinc/74/83/00/1333748300.db2.gz KXLXUPNXZQKNRU-UHFFFAOYSA-N 0 0 337.427 2.997 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(n1)OCCO2 ZINC000847571536 1333930026 /nfs/dbraw/zinc/93/00/26/1333930026.db2.gz BHXKYNXKBGSTSV-UHFFFAOYSA-N 0 0 328.368 2.611 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(OCC(F)(F)F)o1 ZINC000847588655 1333959709 /nfs/dbraw/zinc/95/97/09/1333959709.db2.gz AHKZXBDEEWJRSG-UHFFFAOYSA-N 0 0 345.273 2.604 10 10 EFCERN Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1cccc(C)c1 ZINC000848270711 1334549128 /nfs/dbraw/zinc/54/91/28/1334549128.db2.gz YONNZCFRGWEGNL-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN O=C(COCC(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355287513 1334730207 /nfs/dbraw/zinc/73/02/07/1334730207.db2.gz JDPPBFYQJHZCEM-UHFFFAOYSA-N 0 0 332.310 2.617 10 10 EFCERN O=C(/C=C/[C@@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001355287677 1334730950 /nfs/dbraw/zinc/73/09/50/1334730950.db2.gz LFOBXOWBAXCTJD-HSBSLETESA-N 0 0 334.379 2.928 10 10 EFCERN Cc1cc(=O)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c[nH]1 ZINC001355288802 1334731431 /nfs/dbraw/zinc/73/14/31/1334731431.db2.gz YLHSATWDJHBKML-UHFFFAOYSA-N 0 0 345.362 2.645 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1ccccc1O ZINC000848576342 1334803569 /nfs/dbraw/zinc/80/35/69/1334803569.db2.gz NLMPTGQPNIUNJW-MRXNPFEDSA-N 0 0 328.412 2.830 10 10 EFCERN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1 ZINC000848617934 1334813810 /nfs/dbraw/zinc/81/38/10/1334813810.db2.gz GCTFCCMAWOIJHW-MVWJERBFSA-N 0 0 349.412 2.717 10 10 EFCERN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639000 1334821228 /nfs/dbraw/zinc/82/12/28/1334821228.db2.gz DIEGZPMRHCXJAI-JCGIZDLHSA-N 0 0 346.471 2.748 10 10 EFCERN COCCN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000848921675 1334987581 /nfs/dbraw/zinc/98/75/81/1334987581.db2.gz FYWNVHIFIWTALX-YIEVGGLXSA-N 0 0 346.393 2.637 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000848922230 1334988465 /nfs/dbraw/zinc/98/84/65/1334988465.db2.gz NSGGKQCOCUZSLF-GJZGRUSLSA-N 0 0 336.388 2.746 10 10 EFCERN COc1cc(O)c(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1OC ZINC000848927600 1334992093 /nfs/dbraw/zinc/99/20/93/1334992093.db2.gz IQOYNIQCCUGNMP-XHDPSFHLSA-N 0 0 349.349 2.999 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)ccc1[N+](=O)[O-] ZINC000848928825 1334992710 /nfs/dbraw/zinc/99/27/10/1334992710.db2.gz ORWJDYPVQJSZMN-CYBMUJFWSA-N 0 0 336.388 2.890 10 10 EFCERN COC(=O)c1ccc(/C=C\C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC001357191149 1335290206 /nfs/dbraw/zinc/29/02/06/1335290206.db2.gz AYJMIRCGNTUVOT-TWGQIWQCSA-N 0 0 346.358 2.601 10 10 EFCERN Cc1ccn2cnc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2c1 ZINC001357199971 1335290880 /nfs/dbraw/zinc/29/08/80/1335290880.db2.gz HJAUCUJJDCNBOX-UHFFFAOYSA-N 0 0 326.375 2.778 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([S@](C)=O)cc1 ZINC000935946189 1335464726 /nfs/dbraw/zinc/46/47/26/1335464726.db2.gz AQQQRGAPISCKKC-QHCPKHFHSA-N 0 0 338.425 2.545 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2cccc2)nc1 ZINC000935947891 1335465225 /nfs/dbraw/zinc/46/52/25/1335465225.db2.gz GSFUSGZSNSDVBW-UHFFFAOYSA-N 0 0 342.395 2.994 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=S)NCc3ccccc3)C2)cc1 ZINC000849271963 1335585142 /nfs/dbraw/zinc/58/51/42/1335585142.db2.gz YEMOIOAISJGQGU-MRXNPFEDSA-N 0 0 341.480 2.938 10 10 EFCERN CC[C@H](C)C[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358104 1335598056 /nfs/dbraw/zinc/59/80/56/1335598056.db2.gz SKOCKJHPMIVFOL-QRTARXTBSA-N 0 0 345.443 2.631 10 10 EFCERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000849368567 1335600301 /nfs/dbraw/zinc/60/03/01/1335600301.db2.gz DVOHENFKUURUNO-LLVKDONJSA-N 0 0 338.395 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC(C)(C)C)C2)cc1 ZINC000849416149 1335610617 /nfs/dbraw/zinc/61/06/17/1335610617.db2.gz KYLVHPIIRAUOJO-CQSZACIVSA-N 0 0 340.489 2.630 10 10 EFCERN Cc1cc(CNC(=O)c2cccn(C)c2=O)c(C)n1-c1ccccc1 ZINC001438303268 1388494811 /nfs/dbraw/zinc/49/48/11/1388494811.db2.gz OFWILURVJXWVFC-UHFFFAOYSA-N 0 0 335.407 2.723 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)[C@H](C)C3)CC2)cc1 ZINC001545931425 1389607791 /nfs/dbraw/zinc/60/77/91/1389607791.db2.gz IISHJWWGOIBRFK-CVEARBPZSA-N 0 0 344.455 2.739 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(CC)ncc1Cl ZINC001449124890 1392254838 /nfs/dbraw/zinc/25/48/38/1392254838.db2.gz SIJKSLVIBAYMRD-UHFFFAOYSA-N 0 0 340.807 2.814 10 10 EFCERN CN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21 ZINC001454379861 1392994446 /nfs/dbraw/zinc/99/44/46/1392994446.db2.gz XHAMUWCJVWYJMI-OAHLLOKOSA-N 0 0 337.383 2.640 10 10 EFCERN C[C@@H](NC(=O)CN1Cc2ccccc2OC1=O)c1ccccc1O ZINC001454808250 1394251477 /nfs/dbraw/zinc/25/14/77/1394251477.db2.gz ULHLKRSIBXDJOX-GFCCVEGCSA-N 0 0 326.352 2.584 10 10 EFCERN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001454817864 1394263913 /nfs/dbraw/zinc/26/39/13/1394263913.db2.gz MNQVZYDMCSHRRK-IGWPVBGESA-N 0 0 349.394 2.563 10 10 EFCERN Cc1c[nH]c(C2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC2)n1 ZINC001455138154 1394566147 /nfs/dbraw/zinc/56/61/47/1394566147.db2.gz FVYNYXBRXXLKMN-UHFFFAOYSA-N 0 0 326.360 2.690 10 10 EFCERN CC(C)(C)OC(=O)CC1(C(=O)NCc2cc(O)ccc2O)CCC1 ZINC001455351222 1394592674 /nfs/dbraw/zinc/59/26/74/1394592674.db2.gz DXJVSXGEJKPAEJ-UHFFFAOYSA-N 0 0 335.400 2.616 10 10 EFCERN CCc1nccn1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001455618064 1394631531 /nfs/dbraw/zinc/63/15/31/1394631531.db2.gz MUFOLXBEXJTMPL-UHFFFAOYSA-N 0 0 331.397 2.501 10 10 EFCERN CC(=O)N[C@@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCCC1 ZINC001456312411 1394665105 /nfs/dbraw/zinc/66/51/05/1394665105.db2.gz SEAKMRAKZJVLOY-LJQANCHMSA-N 0 0 340.423 2.857 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001456315505 1394665861 /nfs/dbraw/zinc/66/58/61/1394665861.db2.gz JNSFLHRUYWLVQG-UHFFFAOYSA-N 0 0 340.694 2.729 10 10 EFCERN NC(=O)c1cc(NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC001458161110 1395417808 /nfs/dbraw/zinc/41/78/08/1395417808.db2.gz CTNMHYFSWQFHBG-UHFFFAOYSA-N 0 0 338.414 2.745 10 10 EFCERN COC(=O)c1cc(OCC(=O)N2[C@H](C)CCC[C@H]2C)ccc1N(C)C ZINC001459244625 1395770158 /nfs/dbraw/zinc/77/01/58/1395770158.db2.gz YAYRSAULFHBFCI-ZIAGYGMSSA-N 0 0 348.443 2.708 10 10 EFCERN CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccc(Cl)nc1 ZINC001459682285 1395975249 /nfs/dbraw/zinc/97/52/49/1395975249.db2.gz NGODGUIGYDKZDP-UHFFFAOYSA-N 0 0 327.775 2.807 10 10 EFCERN CNC(=O)c1cccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)c1 ZINC001462887149 1396458545 /nfs/dbraw/zinc/45/85/45/1396458545.db2.gz RFASUTVLYNPCFU-KHPPLWFESA-N 0 0 346.390 2.666 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@@H]2CO)c(C)n1-c1ccc(Cl)cc1 ZINC001463020918 1396466634 /nfs/dbraw/zinc/46/66/34/1396466634.db2.gz LXARSNHWZPZQKA-QGZVFWFLSA-N 0 0 332.831 2.883 10 10 EFCERN O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(O)c(O)cc2s1 ZINC001463636429 1396509612 /nfs/dbraw/zinc/50/96/12/1396509612.db2.gz RZEWTGOWDVEKCH-UHFFFAOYSA-N 0 0 343.360 2.971 10 10 EFCERN CCn1cnnc1-c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001464123131 1396548393 /nfs/dbraw/zinc/54/83/93/1396548393.db2.gz OQWANDXCPHUHAX-UHFFFAOYSA-N 0 0 338.367 2.557 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCOc1cccc2ccccc21 ZINC001464323148 1396565418 /nfs/dbraw/zinc/56/54/18/1396565418.db2.gz XLOOTRNZWITAIH-UHFFFAOYSA-N 0 0 337.375 2.989 10 10 EFCERN CCN(CCc1ccccn1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001464386780 1396570707 /nfs/dbraw/zinc/57/07/07/1396570707.db2.gz OPJWSHXQRFWCIP-UHFFFAOYSA-N 0 0 325.372 2.949 10 10 EFCERN CN(c1ccc(CNC(=O)c2cc(=O)[nH]cn2)cc1)C1CCCCC1 ZINC001464534595 1396585236 /nfs/dbraw/zinc/58/52/36/1396585236.db2.gz FGQAYZBGOMGIFI-UHFFFAOYSA-N 0 0 340.427 2.881 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccccc1 ZINC001546151816 1396650503 /nfs/dbraw/zinc/65/05/03/1396650503.db2.gz HZYWDBRFJBRKPK-UHFFFAOYSA-N 0 0 347.798 2.790 10 10 EFCERN COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(C)o1 ZINC001465600693 1396696072 /nfs/dbraw/zinc/69/60/72/1396696072.db2.gz CNIZJHUVKYPSBS-CYBMUJFWSA-N 0 0 330.344 2.868 10 10 EFCERN COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(C)o1 ZINC001465600748 1396696433 /nfs/dbraw/zinc/69/64/33/1396696433.db2.gz CNIZJHUVKYPSBS-ZDUSSCGKSA-N 0 0 330.344 2.868 10 10 EFCERN Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001465953988 1396725436 /nfs/dbraw/zinc/72/54/36/1396725436.db2.gz LFDMNXHADIMQSA-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ncc(Cc2ccccc2)o1 ZINC001465981517 1396727782 /nfs/dbraw/zinc/72/77/82/1396727782.db2.gz OEICIRYPIBYFTN-UHFFFAOYSA-N 0 0 338.363 2.649 10 10 EFCERN COc1cccc(CNC(=O)c2cnccc2C(F)(F)F)c1O ZINC001465992322 1396728868 /nfs/dbraw/zinc/72/88/68/1396728868.db2.gz JKYCEDXKXOXXJG-UHFFFAOYSA-N 0 0 326.274 2.745 10 10 EFCERN COc1ccc(CC(=O)NCc2ccccc2O)c(Cl)c1OC ZINC001465990147 1396729030 /nfs/dbraw/zinc/72/90/30/1396729030.db2.gz CVSCMGVMGYGZMW-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN O=C(NC[C@H](CO)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001466016564 1396731133 /nfs/dbraw/zinc/73/11/33/1396731133.db2.gz MLGDNTMAEPJTSJ-CYBMUJFWSA-N 0 0 343.404 2.818 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)c2ccccc2)cc1 ZINC001466030151 1396732578 /nfs/dbraw/zinc/73/25/78/1396732578.db2.gz PRQLBBQWPOGCTI-HNNXBMFYSA-N 0 0 326.356 2.703 10 10 EFCERN Nc1c2cccnc2sc1C(=O)Oc1cccc2c1OCCO2 ZINC001466722105 1396776869 /nfs/dbraw/zinc/77/68/69/1396776869.db2.gz PJKRQPSTWDBZOS-UHFFFAOYSA-N 0 0 328.349 2.869 10 10 EFCERN C[Si](C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001466762967 1396782358 /nfs/dbraw/zinc/78/23/58/1396782358.db2.gz IRLXQGJEYCASRO-UHFFFAOYSA-N 0 0 340.459 2.734 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC001466790272 1396785202 /nfs/dbraw/zinc/78/52/02/1396785202.db2.gz DOAYLXWOPZULOA-NSHDSACASA-N 0 0 344.367 2.984 10 10 EFCERN CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)C(=O)OCC ZINC001467579308 1396874312 /nfs/dbraw/zinc/87/43/12/1396874312.db2.gz VHXNCQNWIJXWNB-LLVKDONJSA-N 0 0 334.376 2.653 10 10 EFCERN COc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1OC ZINC001468575851 1396968985 /nfs/dbraw/zinc/96/89/85/1396968985.db2.gz DEUVBYUWEKZLJX-GFCCVEGCSA-N 0 0 345.395 2.843 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(O)cn1 ZINC001468656049 1396977089 /nfs/dbraw/zinc/97/70/89/1396977089.db2.gz BNXQGQKYJPQRPZ-UHFFFAOYSA-N 0 0 331.335 2.749 10 10 EFCERN Cc1c(C(=O)NCc2ccc(O)cc2O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001469160815 1397006192 /nfs/dbraw/zinc/00/61/92/1397006192.db2.gz UJAGZPOVGIGVFX-UHFFFAOYSA-N 0 0 342.395 2.819 10 10 EFCERN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(O)cc1O ZINC001469160780 1397006341 /nfs/dbraw/zinc/00/63/41/1397006341.db2.gz SQSANENNWVPASS-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN Cn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1C(F)F ZINC001469248305 1397015128 /nfs/dbraw/zinc/01/51/28/1397015128.db2.gz FJJSNZMHRKKWAM-UHFFFAOYSA-N 0 0 332.310 2.542 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)Nc2ccccc21 ZINC001469250999 1397015444 /nfs/dbraw/zinc/01/54/44/1397015444.db2.gz VYTWRKJBBWIXPH-HNNXBMFYSA-N 0 0 347.374 2.683 10 10 EFCERN O=C(CCCOc1cccnc1)NCc1ccc2cccnc2c1O ZINC001469248971 1397015825 /nfs/dbraw/zinc/01/58/25/1397015825.db2.gz KIMGKRKVLHXUAZ-UHFFFAOYSA-N 0 0 337.379 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(F)c3N)C2)cc1 ZINC001469281088 1397017404 /nfs/dbraw/zinc/01/74/04/1397017404.db2.gz WZNQTRFFGOJLGG-CYBMUJFWSA-N 0 0 343.402 2.673 10 10 EFCERN COC(=O)C1(C)CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001469279461 1397017810 /nfs/dbraw/zinc/01/78/10/1397017810.db2.gz BVDQKVLVVBGFBJ-UHFFFAOYSA-N 0 0 344.386 2.868 10 10 EFCERN Cc1ccc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1O ZINC001469520583 1397034824 /nfs/dbraw/zinc/03/48/24/1397034824.db2.gz SXULAXVCIZKXMF-CYBMUJFWSA-N 0 0 337.416 2.750 10 10 EFCERN CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC001469538618 1397036098 /nfs/dbraw/zinc/03/60/98/1397036098.db2.gz VGJXSFOTZUEZAY-BIGNPOOSSA-N 0 0 326.824 2.904 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)NCc1c(O)cccc1F)CCO2 ZINC001469687716 1397048739 /nfs/dbraw/zinc/04/87/39/1397048739.db2.gz TYHIDRPLMFDCFW-OAHLLOKOSA-N 0 0 346.358 2.863 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCOCC(F)F ZINC001469812805 1397057467 /nfs/dbraw/zinc/05/74/67/1397057467.db2.gz NSFBQKUSDGFXSW-UHFFFAOYSA-N 0 0 341.402 2.710 10 10 EFCERN C=CC(=O)N(CC)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001471017753 1397134298 /nfs/dbraw/zinc/13/42/98/1397134298.db2.gz NAJOVRSJCUFTOO-UHFFFAOYSA-N 0 0 339.439 2.745 10 10 EFCERN C[C@H](NC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1ccccc1O ZINC001471195331 1397149311 /nfs/dbraw/zinc/14/93/11/1397149311.db2.gz WQURCQXKPDPFJT-SMDDNHRTSA-N 0 0 342.420 2.837 10 10 EFCERN C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1N)c1ccccc1O ZINC001471195700 1397150032 /nfs/dbraw/zinc/15/00/32/1397150032.db2.gz LTKUQHCYJBDJNW-CYBMUJFWSA-N 0 0 336.395 2.710 10 10 EFCERN O=C([C@H](O)c1cccc(Br)c1)N1Cc2cccc(O)c2C1 ZINC001471355336 1397164212 /nfs/dbraw/zinc/16/42/12/1397164212.db2.gz GJEYVMHJFZVGNI-OAHLLOKOSA-N 0 0 348.196 2.731 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(OCC(F)(F)F)o1 ZINC001471642462 1397191314 /nfs/dbraw/zinc/19/13/14/1397191314.db2.gz VELFGQMWFIHSEO-UHFFFAOYSA-N 0 0 331.246 2.562 10 10 EFCERN O=C(CNc1cccc(C(F)(F)F)c1)NCc1cccc(O)c1O ZINC001471644593 1397191901 /nfs/dbraw/zinc/19/19/01/1397191901.db2.gz WFQXGUUOIZKJGS-UHFFFAOYSA-N 0 0 340.301 2.845 10 10 EFCERN Cc1nc(C(C)C)sc1C(=O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001471661449 1397194656 /nfs/dbraw/zinc/19/46/56/1397194656.db2.gz XKQGVZQOIKONDE-UHFFFAOYSA-N 0 0 348.424 2.528 10 10 EFCERN COCc1c2ccccc2oc1C(=O)NCc1cc(O)ccc1O ZINC001471660553 1397194991 /nfs/dbraw/zinc/19/49/91/1397194991.db2.gz CIDYAKISDMHVAK-UHFFFAOYSA-N 0 0 327.336 2.920 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(F)c(Br)c1 ZINC001471661590 1397195208 /nfs/dbraw/zinc/19/52/08/1397195208.db2.gz URPLSUPISRTODU-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1ccc(-c2nn(C)cc2C(=O)NCc2c(O)cccc2F)o1 ZINC001471975882 1397229702 /nfs/dbraw/zinc/22/97/02/1397229702.db2.gz LCGJYLWBAFONHH-UHFFFAOYSA-N 0 0 329.331 2.763 10 10 EFCERN CC(C)(C(=O)NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001472063740 1397241962 /nfs/dbraw/zinc/24/19/62/1397241962.db2.gz PEUWWJRQYFAJEN-UHFFFAOYSA-N 0 0 348.330 2.739 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccccc1OC(F)(F)F ZINC001472064496 1397242126 /nfs/dbraw/zinc/24/21/26/1397242126.db2.gz YZJXGVGFRZAZFL-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccc(F)cc2)on1 ZINC001472063732 1397242255 /nfs/dbraw/zinc/24/22/55/1397242255.db2.gz OWFTUWVHXYKJHK-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN CC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472086224 1397245529 /nfs/dbraw/zinc/24/55/29/1397245529.db2.gz QVDKDTRPNUBWCA-KRWDZBQOSA-N 0 0 326.396 2.563 10 10 EFCERN CCO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCOC1 ZINC001472085268 1397245680 /nfs/dbraw/zinc/24/56/80/1397245680.db2.gz OACSQIZGIAYEMG-RDTXWAMCSA-N 0 0 329.396 2.603 10 10 EFCERN COC(=O)c1cc(OCC(=O)NC2CCC(C)CC2)ccc1N(C)C ZINC001473076851 1397280686 /nfs/dbraw/zinc/28/06/86/1397280686.db2.gz AQDZPUWLLCMUBW-UHFFFAOYSA-N 0 0 348.443 2.613 10 10 EFCERN CCCCc1nc(CN(CC(=O)OCC)Cc2ccccc2O)no1 ZINC001473572152 1397311387 /nfs/dbraw/zinc/31/13/87/1397311387.db2.gz AYSCLRRHRJONIR-UHFFFAOYSA-N 0 0 347.415 2.683 10 10 EFCERN COC(=O)[C@H]1Cc2ccc(O)cc2CN1Cc1ccc(N(C)C)cc1 ZINC001473882722 1397344038 /nfs/dbraw/zinc/34/40/38/1397344038.db2.gz YHQDOVGCVOZUPY-LJQANCHMSA-N 0 0 340.423 2.558 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1nccc(C(F)(F)F)n1 ZINC001478829353 1397591612 /nfs/dbraw/zinc/59/16/12/1397591612.db2.gz NVBODFJBGWBIHG-UHFFFAOYSA-N 0 0 340.305 2.543 10 10 EFCERN CCCn1c(CC)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001500896739 1403361219 /nfs/dbraw/zinc/36/12/19/1403361219.db2.gz UYDPAUUTWXSNDV-UHFFFAOYSA-N 0 0 343.475 2.976 10 10 EFCERN CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001501491994 1403608868 /nfs/dbraw/zinc/60/88/68/1403608868.db2.gz GYXHVPNJVUYVRX-MRXNPFEDSA-N 0 0 347.438 2.839 10 10 EFCERN CO[C@@H](C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001503944196 1404515650 /nfs/dbraw/zinc/51/56/50/1404515650.db2.gz LRGLKLBDIIVQLX-ZDUSSCGKSA-N 0 0 332.448 2.953 10 10 EFCERN CCOCC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001728958041 1426319524 /nfs/dbraw/zinc/31/95/24/1426319524.db2.gz MVMFPTGPBRMJGN-UHFFFAOYSA-N 0 0 332.448 2.991 10 10 EFCERN Cc1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001510671760 1412800401 /nfs/dbraw/zinc/80/04/01/1412800401.db2.gz FUBDKXHYFIKHBB-HNNXBMFYSA-N 0 0 343.475 2.624 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1CCCOC1 ZINC001554175853 1415013003 /nfs/dbraw/zinc/01/30/03/1415013003.db2.gz YJMVRCPRKSIJBF-AWEZNQCLSA-N 0 0 342.443 2.924 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccn(C)n1 ZINC001556067346 1415051292 /nfs/dbraw/zinc/05/12/92/1415051292.db2.gz UMQVEDUERXLHKZ-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN Cc1nnc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001556129727 1415054467 /nfs/dbraw/zinc/05/44/67/1415054467.db2.gz NTHUAXFQMPOYBS-LURJTMIESA-N 0 0 335.410 2.963 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC001556158160 1415056371 /nfs/dbraw/zinc/05/63/71/1415056371.db2.gz TWSCDBBNRCDVJI-FNOHHLHBSA-N 0 0 325.364 2.671 10 10 EFCERN Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001556157887 1415056487 /nfs/dbraw/zinc/05/64/87/1415056487.db2.gz MBPXXNKYICAGBE-NSHDSACASA-N 0 0 325.368 2.644 10 10 EFCERN COc1ccc(CNC(=O)Cc2nsc3ccccc23)c(O)c1 ZINC001556354548 1415065243 /nfs/dbraw/zinc/06/52/43/1415065243.db2.gz MXXNZXZTDKDHHQ-UHFFFAOYSA-N 0 0 328.393 2.869 10 10 EFCERN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001556722658 1415084282 /nfs/dbraw/zinc/08/42/82/1415084282.db2.gz YMDZBFKRKGYMRT-ACRUDFBXSA-N 0 0 347.798 2.956 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OC(F)F)c(F)c1 ZINC001556749353 1415086118 /nfs/dbraw/zinc/08/61/18/1415086118.db2.gz DSQFGXXTGDTNLQ-UHFFFAOYSA-N 0 0 341.285 2.697 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(N(C)C)ccn1 ZINC001557063491 1415103420 /nfs/dbraw/zinc/10/34/20/1415103420.db2.gz PYBKCWZMLQYTLE-OAHLLOKOSA-N 0 0 340.471 2.883 10 10 EFCERN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1ccc(O)cc1O ZINC001557084885 1415103570 /nfs/dbraw/zinc/10/35/70/1415103570.db2.gz RQCXYYSDAJJANP-UHFFFAOYSA-N 0 0 333.771 2.545 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1CC(=O)CC2 ZINC001557122824 1415106808 /nfs/dbraw/zinc/10/68/08/1415106808.db2.gz JRBOFVOXYOEWGI-UHFFFAOYSA-N 0 0 346.386 2.928 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC001557189641 1415111395 /nfs/dbraw/zinc/11/13/95/1415111395.db2.gz KSNGCPKRQNKVAU-GQSKFBFOSA-N 0 0 325.364 2.791 10 10 EFCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CC=CC1 ZINC001557267526 1415116851 /nfs/dbraw/zinc/11/68/51/1415116851.db2.gz RTQNPLSHDVMPRW-OAHLLOKOSA-N 0 0 344.415 2.932 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001557553464 1415131258 /nfs/dbraw/zinc/13/12/58/1415131258.db2.gz NYRHLWNCSSJLSW-UHFFFAOYSA-N 0 0 345.311 2.755 10 10 EFCERN C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)c1ccccc1O ZINC001557969032 1415153076 /nfs/dbraw/zinc/15/30/76/1415153076.db2.gz QCTPMFBRNUQFTI-HZMBPMFUSA-N 0 0 328.343 2.520 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cc(-c2c[nH]c3ccccc32)n[nH]1 ZINC001558160886 1415163361 /nfs/dbraw/zinc/16/33/61/1415163361.db2.gz BWAICDMSFXPKDW-UHFFFAOYSA-N 0 0 348.362 2.899 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1c(C(F)F)nc2ccccn21 ZINC001558175187 1415164719 /nfs/dbraw/zinc/16/47/19/1415164719.db2.gz HEULVONGWGZYPX-UHFFFAOYSA-N 0 0 333.294 2.613 10 10 EFCERN Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1OC(F)(F)F ZINC001558455804 1415180808 /nfs/dbraw/zinc/18/08/08/1415180808.db2.gz ZCQKTJWGHFXLGK-UHFFFAOYSA-N 0 0 344.264 2.942 10 10 EFCERN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1c(O)cccc1O ZINC001558533585 1415186423 /nfs/dbraw/zinc/18/64/23/1415186423.db2.gz HVHBSSGFDATKKN-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CCOC(=O)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001558534258 1415187048 /nfs/dbraw/zinc/18/70/48/1415187048.db2.gz RNVCWPZNMVCWOS-UHFFFAOYSA-N 0 0 331.324 2.563 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558533876 1415187162 /nfs/dbraw/zinc/18/71/62/1415187162.db2.gz MFAYYBWPCKMZPW-RISCZKNCSA-N 0 0 340.379 2.622 10 10 EFCERN CC(=O)NCCCCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001558553050 1415188194 /nfs/dbraw/zinc/18/81/94/1415188194.db2.gz GTRLOTXVZQWYHE-UHFFFAOYSA-N 0 0 328.412 2.858 10 10 EFCERN CC(=O)N[C@@](C)(C(=O)NCc1c(O)ccc2ccccc21)C(C)C ZINC001558554207 1415188210 /nfs/dbraw/zinc/18/82/10/1415188210.db2.gz FRQIGDVBXMETPB-LJQANCHMSA-N 0 0 328.412 2.712 10 10 EFCERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O ZINC001558757173 1415199904 /nfs/dbraw/zinc/19/99/04/1415199904.db2.gz SBWNKUKFZSUYCC-UHFFFAOYSA-N 0 0 335.747 2.926 10 10 EFCERN COC(=O)c1cnc(Sc2ncnc3[nH]c(Cl)cc32)s1 ZINC001559198195 1415229397 /nfs/dbraw/zinc/22/93/97/1415229397.db2.gz DJHIFRPAEMTYFP-UHFFFAOYSA-N 0 0 326.790 2.957 10 10 EFCERN O=C1c2ccccc2C(=O)N1CCN1CCc2c1cccc2Cl ZINC001559625138 1415251901 /nfs/dbraw/zinc/25/19/01/1415251901.db2.gz ITBUHONUMSQCIL-UHFFFAOYSA-N 0 0 326.783 2.999 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2CCOc1ccc2c(c1)OCO2 ZINC001559714517 1415253977 /nfs/dbraw/zinc/25/39/77/1415253977.db2.gz ZIWOLRVVWGYSOZ-UHFFFAOYSA-N 0 0 342.395 2.759 10 10 EFCERN CC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)nc1 ZINC001562610127 1415345473 /nfs/dbraw/zinc/34/54/73/1415345473.db2.gz ZOVNSCORRJXGCH-UHFFFAOYSA-N 0 0 340.383 2.781 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2ccc3oc(=O)[nH]c3c2)c1 ZINC001565307196 1415393087 /nfs/dbraw/zinc/39/30/87/1415393087.db2.gz JNNMSBOQYLGMFR-UHFFFAOYSA-N 0 0 327.340 2.547 10 10 EFCERN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(N)cc1F ZINC001566008605 1415481782 /nfs/dbraw/zinc/48/17/82/1415481782.db2.gz WHZNPHPZIIFGLB-UHFFFAOYSA-N 0 0 329.375 2.822 10 10 EFCERN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1cccc(O)c1O ZINC001566222267 1415535811 /nfs/dbraw/zinc/53/58/11/1415535811.db2.gz KBYSCZJKPLGWBA-UHFFFAOYSA-N 0 0 333.319 2.631 10 10 EFCERN Cc1ccc(-c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)nn1 ZINC001566359016 1415542802 /nfs/dbraw/zinc/54/28/02/1415542802.db2.gz RWKRFKRIBVIQNV-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN CC(=O)OCC(C)(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001566359956 1415543012 /nfs/dbraw/zinc/54/30/12/1415543012.db2.gz SYOVLXSSMUXORB-UHFFFAOYSA-N 0 0 333.428 2.867 10 10 EFCERN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC001566359320 1415543096 /nfs/dbraw/zinc/54/30/96/1415543096.db2.gz ZDCLPRORAVWDPO-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccccc1O ZINC001566373983 1415544132 /nfs/dbraw/zinc/54/41/32/1415544132.db2.gz OYEOSYCQEBHWEE-UHFFFAOYSA-N 0 0 334.322 2.759 10 10 EFCERN COc1cccc(CNC(=O)Cn2ccc3ccc(F)cc32)c1O ZINC001566373816 1415544293 /nfs/dbraw/zinc/54/42/93/1415544293.db2.gz GQBUFJLKPBARDK-UHFFFAOYSA-N 0 0 328.343 2.811 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)cc1 ZINC001566504059 1415593709 /nfs/dbraw/zinc/59/37/09/1415593709.db2.gz QZKICQDREUSZRI-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2ccccc2c1O ZINC001567467562 1416149965 /nfs/dbraw/zinc/14/99/65/1416149965.db2.gz MATOHRPCRJBMIW-NSHDSACASA-N 0 0 338.363 2.713 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1-c1ccccn1 ZINC001567468063 1416150160 /nfs/dbraw/zinc/15/01/60/1416150160.db2.gz YNSWEWSGQRNPFY-ZDUSSCGKSA-N 0 0 349.390 2.916 10 10 EFCERN CC(C)(COCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001568095468 1416407922 /nfs/dbraw/zinc/40/79/22/1416407922.db2.gz NVOFAAMOELTSJE-UHFFFAOYSA-N 0 0 329.396 2.752 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(-c3csnn3)cc2)c(O)c1 ZINC001568097571 1416408780 /nfs/dbraw/zinc/40/87/80/1416408780.db2.gz MFRGAUQGUKHJNP-UHFFFAOYSA-N 0 0 341.392 2.849 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](CO)[C@@H]3C)c2C)cc1 ZINC001568204349 1416440225 /nfs/dbraw/zinc/44/02/25/1416440225.db2.gz ZAIUCSLFRYIUGX-HOCLYGCPSA-N 0 0 342.439 2.946 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2coc(Sc3ncccn3)n2)c1 ZINC001645804537 1416561328 /nfs/dbraw/zinc/56/13/28/1416561328.db2.gz CLKZJKTTYULJQB-UHFFFAOYSA-N 0 0 342.380 2.560 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc2c(c1)CCCC(=O)N2 ZINC001646028920 1416603128 /nfs/dbraw/zinc/60/31/28/1416603128.db2.gz NGCILJTXTFHTEX-UHFFFAOYSA-N 0 0 328.343 2.736 10 10 EFCERN Cc1cc(C(=O)NCCN=S(C)(C)=O)c(C)n1-c1ccccc1C ZINC001646080533 1416610583 /nfs/dbraw/zinc/61/05/83/1416610583.db2.gz PTJRYUDYFNBWRQ-UHFFFAOYSA-N 0 0 347.484 2.860 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1 ZINC001646262228 1416640001 /nfs/dbraw/zinc/64/00/01/1416640001.db2.gz SSDAEKLALRAELA-AWEZNQCLSA-N 0 0 348.309 2.591 10 10 EFCERN C[C@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001683169840 1416678633 /nfs/dbraw/zinc/67/86/33/1416678633.db2.gz VLTLTHOYDWJYOF-YJBOKZPZSA-N 0 0 331.460 2.996 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001683254833 1416679463 /nfs/dbraw/zinc/67/94/63/1416679463.db2.gz VAJYNRWNUPPVJC-INIZCTEOSA-N 0 0 346.519 2.728 10 10 EFCERN Cc1cc(CCNC(=O)NC2(C)COC2)c(C)n1-c1ccccc1 ZINC001684321712 1416717744 /nfs/dbraw/zinc/71/77/44/1416717744.db2.gz DRKKYKVOSSVZJU-UHFFFAOYSA-N 0 0 327.428 2.725 10 10 EFCERN O=C(NCCc1c(F)cc(O)cc1F)NCc1c(O)cccc1F ZINC001684342465 1416718325 /nfs/dbraw/zinc/71/83/25/1416718325.db2.gz OCZDHQNXZINECO-UHFFFAOYSA-N 0 0 340.301 2.557 10 10 EFCERN Cc1cc(CCNC(=O)N[C@H]2CCC[C@@H]2O)c(C)n1-c1ccccc1 ZINC001684443884 1416721342 /nfs/dbraw/zinc/72/13/42/1416721342.db2.gz GCQQRCSAQRQHBJ-OALUTQOASA-N 0 0 341.455 2.849 10 10 EFCERN Cc1cc(CNC(=O)N(C)C[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001684478920 1416722126 /nfs/dbraw/zinc/72/21/26/1416722126.db2.gz MVJFBSFGZAOILK-HNNXBMFYSA-N 0 0 329.444 2.925 10 10 EFCERN C[C@@H](NC(=O)NCc1ccnc(-c2ccccn2)n1)c1ccccc1O ZINC001684880149 1416735182 /nfs/dbraw/zinc/73/51/82/1416735182.db2.gz GWVJJHLQDBLAMR-CYBMUJFWSA-N 0 0 349.394 2.805 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@@H]1C ZINC001710648526 1418251588 /nfs/dbraw/zinc/25/15/88/1418251588.db2.gz OKYZPIOCQMDAHH-DZGCQCFKSA-N 0 0 330.432 2.813 10 10 EFCERN c1cc(N2CCCCC2)ccc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735407441 1424284056 /nfs/dbraw/zinc/28/40/56/1424284056.db2.gz IIHFRHRUORLIRF-UHFFFAOYSA-N 0 0 326.448 2.749 10 10 EFCERN CC[C@@H](C)[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC ZINC001726851287 1426293890 /nfs/dbraw/zinc/29/38/90/1426293890.db2.gz RDIHOEHIYHEBKO-CXAGYDPISA-N 0 0 332.448 2.990 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC1(C)COC1 ZINC001729420245 1426326181 /nfs/dbraw/zinc/32/61/81/1426326181.db2.gz KPTKJTVSMPZILS-UHFFFAOYSA-N 0 0 342.443 2.924 10 10 EFCERN CO[C@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)C(C)(C)C ZINC001729862234 1426329260 /nfs/dbraw/zinc/32/92/60/1426329260.db2.gz GIPFMULLVUYQNO-MRXNPFEDSA-N 0 0 332.448 2.990 10 10 EFCERN CON(C)c1nnc(CC2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001730970550 1426338394 /nfs/dbraw/zinc/33/83/94/1426338394.db2.gz KUBOFPBUTFDCOX-UHFFFAOYSA-N 0 0 341.459 2.659 10 10 EFCERN C[C@]1(C(=O)NCc2cc(Br)ccc2O)CCCOC1 ZINC000804735807 713455481 /nfs/dbraw/zinc/45/54/81/713455481.db2.gz FVWSQTWSNJJGFP-AWEZNQCLSA-N 0 0 328.206 2.588 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000804707894 713439949 /nfs/dbraw/zinc/43/99/49/713439949.db2.gz IGDQNXQFDAJKDJ-SOIVGHGOSA-N 0 0 348.399 2.912 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccnc(F)c1 ZINC000804732784 713455063 /nfs/dbraw/zinc/45/50/63/713455063.db2.gz BFZMOYSFXZOCEO-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H](O)c1ccccc1 ZINC000804735585 713455288 /nfs/dbraw/zinc/45/52/88/713455288.db2.gz FLWPSCQKDIUQFO-CQSZACIVSA-N 0 0 336.185 2.505 10 10 EFCERN O=C(Cc1ccc(O)cc1)NCc1cc(Br)ccc1O ZINC000804734231 713455550 /nfs/dbraw/zinc/45/55/50/713455550.db2.gz GEWRVHZOOFFNPT-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1c[nH]nc1C1CC1 ZINC000804735094 713455608 /nfs/dbraw/zinc/45/56/08/713455608.db2.gz KZVCEPAQOWZNFZ-UHFFFAOYSA-N 0 0 336.189 2.685 10 10 EFCERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)ns1 ZINC000804735082 713455636 /nfs/dbraw/zinc/45/56/36/713455636.db2.gz KQVCVNHJZZQRMK-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734274 713455655 /nfs/dbraw/zinc/45/56/55/713455655.db2.gz HCRIQABVRMIWFQ-ZDUSSCGKSA-N 0 0 341.249 2.645 10 10 EFCERN Cc1nscc1C(=O)NCc1cc(Br)ccc1O ZINC000804734344 713455710 /nfs/dbraw/zinc/45/57/10/713455710.db2.gz BIDXPSKVDQRHMG-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccnc(F)c1F ZINC000804736346 713455762 /nfs/dbraw/zinc/45/57/62/713455762.db2.gz SEKAWVVONWXFKD-UHFFFAOYSA-N 0 0 343.127 2.758 10 10 EFCERN COCCC(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804738605 713456330 /nfs/dbraw/zinc/45/63/30/713456330.db2.gz WVBKVLIPOBANRL-UHFFFAOYSA-N 0 0 330.222 2.834 10 10 EFCERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000804738714 713456334 /nfs/dbraw/zinc/45/63/34/713456334.db2.gz ATRWAIKPVNBVEP-LURJTMIESA-N 0 0 326.112 2.969 10 10 EFCERN CC[C@H](C)[C@H](OC)C(=O)NCc1cc(Br)ccc1O ZINC000804739029 713456429 /nfs/dbraw/zinc/45/64/29/713456429.db2.gz NQUUOWOAXMKETO-ZANVPECISA-N 0 0 330.222 2.832 10 10 EFCERN O=C(C[C@@H]1CCCC[C@H]1O)NCc1cc(Br)ccc1O ZINC000804737986 713456562 /nfs/dbraw/zinc/45/65/62/713456562.db2.gz YAVWYCPBMSNJJZ-GXFFZTMASA-N 0 0 342.233 2.712 10 10 EFCERN C[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804739751 713456663 /nfs/dbraw/zinc/45/66/63/713456663.db2.gz RBYIPJLXXKAGSQ-UWVGGRQHSA-N 0 0 328.206 2.586 10 10 EFCERN CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000175810850 713697036 /nfs/dbraw/zinc/69/70/36/713697036.db2.gz VDMXLSGIDJZKDY-SNVBAGLBSA-N 0 0 325.380 2.896 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC(OC)(c3ccccc3)C2)cc1OC ZINC000804845125 713801884 /nfs/dbraw/zinc/80/18/84/713801884.db2.gz OLNXUAYMGHUHIW-UHFFFAOYSA-N 0 0 344.367 2.974 10 10 EFCERN CCN(Cc1cnn(C)c1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000065945135 717982033 /nfs/dbraw/zinc/98/20/33/717982033.db2.gz BHYMYKVOVSYISH-SOFGYWHQSA-N 0 0 344.371 2.541 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCC1CC1 ZINC000077794898 714720272 /nfs/dbraw/zinc/72/02/72/714720272.db2.gz CRXCBLAUMJWROA-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CS(C)(=O)=O ZINC000723851004 714940824 /nfs/dbraw/zinc/94/08/24/714940824.db2.gz RXPFGZOAXPVSKG-UHFFFAOYSA-N 0 0 340.272 2.859 10 10 EFCERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255415467 715170996 /nfs/dbraw/zinc/17/09/96/715170996.db2.gz NYOKYBDEDDIOMR-CYBMUJFWSA-N 0 0 340.383 2.928 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@]2(C)C=CCC2)cc1 ZINC000924406402 715261909 /nfs/dbraw/zinc/26/19/09/715261909.db2.gz UJOKWUHZPQLVEC-LJQANCHMSA-N 0 0 330.428 2.611 10 10 EFCERN O=C(NCc1cscn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000051750316 715590296 /nfs/dbraw/zinc/59/02/96/715590296.db2.gz JVNPCFYDSSGMTB-OAHLLOKOSA-N 0 0 347.440 2.740 10 10 EFCERN Cc1cc(C(=O)CN2CCC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102311 723812641 /nfs/dbraw/zinc/81/26/41/723812641.db2.gz KUDQJPUOEIDCHO-KRWDZBQOSA-N 0 0 330.403 2.873 10 10 EFCERN C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895273796 723967504 /nfs/dbraw/zinc/96/75/04/723967504.db2.gz DWCPIHDLWIUAOZ-HZMBPMFUSA-N 0 0 330.197 2.762 10 10 EFCERN COC(=O)/C=C\c1ccc(N(CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000255753252 717466263 /nfs/dbraw/zinc/46/62/63/717466263.db2.gz DUJRZICYYGBVEV-UITAMQMPSA-N 0 0 334.372 2.522 10 10 EFCERN COCCN(Cc1nnc(C(C)C)n1C)c1ccc(OC)c(OC)c1 ZINC000177129845 717887951 /nfs/dbraw/zinc/88/79/51/717887951.db2.gz AAIDSLNDTNYYHO-UHFFFAOYSA-N 0 0 348.447 2.609 10 10 EFCERN CCC(C)(C)NC(=O)[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000042290080 718047995 /nfs/dbraw/zinc/04/79/95/718047995.db2.gz HEVUQOUIZILLHB-HNNXBMFYSA-N 0 0 333.476 2.511 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](C(F)(F)F)C3)cc2N1 ZINC000177803467 718203936 /nfs/dbraw/zinc/20/39/36/718203936.db2.gz NGSKULIMSYBJER-QMMMGPOBSA-N 0 0 345.277 2.704 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)cc1 ZINC000892684219 718654981 /nfs/dbraw/zinc/65/49/81/718654981.db2.gz BXKPBKALYYRJPM-MAUKXSAKSA-N 0 0 344.455 2.882 10 10 EFCERN C[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CN2CCC1CC2 ZINC000311459907 718724065 /nfs/dbraw/zinc/72/40/65/718724065.db2.gz VLNUZNZZSMWBMN-AWEZNQCLSA-N 0 0 325.250 2.681 10 10 EFCERN C[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CN2CCC1CC2 ZINC000311459909 718724139 /nfs/dbraw/zinc/72/41/39/718724139.db2.gz VLNUZNZZSMWBMN-CQSZACIVSA-N 0 0 325.250 2.681 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CC2)cc1 ZINC000122352570 719263804 /nfs/dbraw/zinc/26/38/04/719263804.db2.gz APFMBRGEPORAAC-ZWKOTPCHSA-N 0 0 344.455 2.595 10 10 EFCERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928705878 724581925 /nfs/dbraw/zinc/58/19/25/724581925.db2.gz OPUQWBUUADSFGU-NSHDSACASA-N 0 0 340.395 2.651 10 10 EFCERN CCC(=O)c1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000236833971 719966457 /nfs/dbraw/zinc/96/64/57/719966457.db2.gz SWDKHJPUYVCRNQ-UHFFFAOYSA-N 0 0 326.396 2.599 10 10 EFCERN Cc1cc(CC(=O)OCCc2cnnn2C)c(C)n1-c1ccccc1 ZINC000893758704 720077587 /nfs/dbraw/zinc/07/75/87/720077587.db2.gz NKKPAJYFXDCSRJ-UHFFFAOYSA-N 0 0 338.411 2.551 10 10 EFCERN CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 ZINC000024768417 720090346 /nfs/dbraw/zinc/09/03/46/720090346.db2.gz RPAVUNYNYLTWQD-DHZHZOJOSA-N 0 0 327.472 2.854 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000091865299 720484471 /nfs/dbraw/zinc/48/44/71/720484471.db2.gz ZKWOZUKFEKGXIM-GOSISDBHSA-N 0 0 330.476 2.522 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000123203164 720821997 /nfs/dbraw/zinc/82/19/97/720821997.db2.gz LVLDJLAUPGPDNL-HZPDHXFCSA-N 0 0 346.471 2.763 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000729045349 724806755 /nfs/dbraw/zinc/80/67/55/724806755.db2.gz QKYDNDSIJULMSN-GFCCVEGCSA-N 0 0 345.399 2.679 10 10 EFCERN CCn1cc(NCc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC000894363217 722614580 /nfs/dbraw/zinc/61/45/80/722614580.db2.gz BOUSTKFKIHIGSE-UHFFFAOYSA-N 0 0 330.363 2.933 10 10 EFCERN CCc1ccc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1 ZINC000237139292 722624011 /nfs/dbraw/zinc/62/40/11/722624011.db2.gz JKHHGXHCGOVXSC-UHFFFAOYSA-N 0 0 343.496 2.780 10 10 EFCERN COC(=O)c1c(CNc2cnn(C)c2C)c2cc(F)ccc2n1C ZINC000894373740 722645902 /nfs/dbraw/zinc/64/59/02/722645902.db2.gz XVQCUDXDQCXKPS-UHFFFAOYSA-N 0 0 330.363 2.758 10 10 EFCERN COC(=O)c1c(CNCc2cc(C)no2)c2cc(F)ccc2n1C ZINC000894392759 722689811 /nfs/dbraw/zinc/68/98/11/722689811.db2.gz SMTNSUSRUBIQLF-UHFFFAOYSA-N 0 0 331.347 2.690 10 10 EFCERN COC(=O)c1c(CNCc2nnc(C)s2)c2cc(F)ccc2n1C ZINC000894430402 722734310 /nfs/dbraw/zinc/73/43/10/722734310.db2.gz DOESPYKPVBBMJI-UHFFFAOYSA-N 0 0 348.403 2.554 10 10 EFCERN CN(C)c1ccc(CN(C(=S)NC[C@H]2CCCO2)C2CC2)cc1 ZINC000917593058 728763257 /nfs/dbraw/zinc/76/32/57/728763257.db2.gz FOJDUAZGNSFDMK-QGZVFWFLSA-N 0 0 333.501 2.771 10 10 EFCERN COC(=O)c1c(CN2CC[C@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894533329 722774355 /nfs/dbraw/zinc/77/43/55/722774355.db2.gz IBLJBZZAFXIYMC-INIZCTEOSA-N 0 0 348.418 2.697 10 10 EFCERN COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000894781070 722846648 /nfs/dbraw/zinc/84/66/48/722846648.db2.gz NIJOFYOMJUXLFX-WCBMZHEXSA-N 0 0 340.153 2.843 10 10 EFCERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181219306 728779639 /nfs/dbraw/zinc/77/96/39/728779639.db2.gz CGMSHWDWDKUDEJ-PPOCWRSBSA-N 0 0 327.380 2.906 10 10 EFCERN COc1cc(O)c(CN2CCc3nc[nH]c3C23CCC3)cc1OC ZINC000895069483 723170731 /nfs/dbraw/zinc/17/07/31/723170731.db2.gz ZBQQECUIYNTNDM-UHFFFAOYSA-N 0 0 329.400 2.570 10 10 EFCERN CN(C)c1ccc(CN2CCc3nc[nH]c3C23CCOCC3)cc1F ZINC000895071068 723178750 /nfs/dbraw/zinc/17/87/50/723178750.db2.gz JZAYSWKMYWONDR-UHFFFAOYSA-N 0 0 344.434 2.679 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000793258031 723180313 /nfs/dbraw/zinc/18/03/13/723180313.db2.gz GHQHSKCSZVQAKW-NSHDSACASA-N 0 0 326.234 2.931 10 10 EFCERN COc1cc(C)cc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1O ZINC000895074975 723194256 /nfs/dbraw/zinc/19/42/56/723194256.db2.gz SWAVMDSEDOTXPF-NHYWBVRUSA-N 0 0 333.350 2.844 10 10 EFCERN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000896343700 723260723 /nfs/dbraw/zinc/26/07/23/723260723.db2.gz WULBMJIISBYJTM-NSHDSACASA-N 0 0 335.303 2.620 10 10 EFCERN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000896343695 723261044 /nfs/dbraw/zinc/26/10/44/723261044.db2.gz WULBMJIISBYJTM-LLVKDONJSA-N 0 0 335.303 2.620 10 10 EFCERN COCCCn1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000896409342 723289707 /nfs/dbraw/zinc/28/97/07/723289707.db2.gz BMLFOGUNLLCCII-UHFFFAOYSA-N 0 0 347.396 2.798 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000896513552 723324179 /nfs/dbraw/zinc/32/41/79/723324179.db2.gz VMOSPRRMMLZYGD-GFCCVEGCSA-N 0 0 347.314 2.716 10 10 EFCERN CC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)OC ZINC000895139794 723436485 /nfs/dbraw/zinc/43/64/85/723436485.db2.gz OYNGSOFUSOXKSI-QMMMGPOBSA-N 0 0 334.185 2.583 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H](C)CO1 ZINC000896760224 723467488 /nfs/dbraw/zinc/46/74/88/723467488.db2.gz ZAPRPPBGQCKQDC-HZMBPMFUSA-N 0 0 342.233 2.928 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC000896760233 723467547 /nfs/dbraw/zinc/46/75/47/723467547.db2.gz ZAPRPPBGQCKQDC-YGRLFVJLSA-N 0 0 342.233 2.928 10 10 EFCERN O=C(NC[C@H]1CSCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000896893558 723594516 /nfs/dbraw/zinc/59/45/16/723594516.db2.gz QYMGEEGVEOSEOB-VIFPVBQESA-N 0 0 341.479 2.891 10 10 EFCERN COC(=O)c1c(CN2CC3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895182588 723839770 /nfs/dbraw/zinc/83/97/70/723839770.db2.gz FDMIQKMERDDUSL-UHFFFAOYSA-N 0 0 338.329 2.945 10 10 EFCERN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC[C@@H]1O ZINC000896934287 723896180 /nfs/dbraw/zinc/89/61/80/723896180.db2.gz MZHKVLGUBBWHHW-RDJZCZTQSA-N 0 0 335.425 2.984 10 10 EFCERN COC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727303237 723908199 /nfs/dbraw/zinc/90/81/99/723908199.db2.gz PUGXQNGMHQRKKX-UHFFFAOYSA-N 0 0 332.375 2.521 10 10 EFCERN O=C(NCC1(CCO)CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896979647 723922725 /nfs/dbraw/zinc/92/27/25/723922725.db2.gz PQELXBNQHGUFGA-UHFFFAOYSA-N 0 0 335.425 2.985 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N(C[C@H]1CCOC1)C1CC1 ZINC000897068468 723978594 /nfs/dbraw/zinc/97/85/94/723978594.db2.gz OEOQWDAYTXMKNH-SNVBAGLBSA-N 0 0 333.409 2.954 10 10 EFCERN CCOC(=O)CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897079648 723986811 /nfs/dbraw/zinc/98/68/11/723986811.db2.gz YWNBOACPXWRZGM-UHFFFAOYSA-N 0 0 349.408 2.870 10 10 EFCERN CCCN(CC(=O)OCC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897153731 724050656 /nfs/dbraw/zinc/05/06/56/724050656.db2.gz FLULJCRNAYTKIP-UHFFFAOYSA-N 0 0 337.397 2.728 10 10 EFCERN CCC1(N2CCOCC2)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895411492 724121820 /nfs/dbraw/zinc/12/18/20/724121820.db2.gz OXGOZNGXYUGOFP-UHFFFAOYSA-N 0 0 340.414 2.747 10 10 EFCERN CCOC(=O)C[C@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897250140 724126110 /nfs/dbraw/zinc/12/61/10/724126110.db2.gz WKDZPLFFAVPQBJ-VIFPVBQESA-N 0 0 337.397 2.632 10 10 EFCERN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]21 ZINC000895461867 724144600 /nfs/dbraw/zinc/14/46/00/724144600.db2.gz PUXMHULVNVEPLK-QMTHXVAHSA-N 0 0 343.240 2.820 10 10 EFCERN Cc1cc(CCNC(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC000728743529 724149962 /nfs/dbraw/zinc/14/99/62/724149962.db2.gz QIBWGJUZINETGV-IBGZPJMESA-N 0 0 341.455 2.707 10 10 EFCERN COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC000895497048 724167968 /nfs/dbraw/zinc/16/79/68/724167968.db2.gz FHOBCOWQYWBYDT-AWEZNQCLSA-N 0 0 348.349 2.962 10 10 EFCERN COc1c(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000895582931 724205840 /nfs/dbraw/zinc/20/58/40/724205840.db2.gz UPFUABGKIVKDHO-NSHDSACASA-N 0 0 335.385 2.755 10 10 EFCERN CCOC(=O)[C@H](C[C@H]1CCCO1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895864534 724354648 /nfs/dbraw/zinc/35/46/48/724354648.db2.gz PEIOFJTWKZHZJJ-JVCKMAHQSA-N 0 0 346.471 2.856 10 10 EFCERN CCCOc1ccc(CN[C@H](C[C@@H]2CCCO2)C(=O)OC)cc1C ZINC000895865954 724360950 /nfs/dbraw/zinc/36/09/50/724360950.db2.gz RKLPNVVZKUBPOH-DLBZAZTESA-N 0 0 335.444 2.984 10 10 EFCERN CCCOc1ccc(CN[C@H](C[C@H]2CCCO2)C(=O)OC)cc1C ZINC000895865955 724361073 /nfs/dbraw/zinc/36/10/73/724361073.db2.gz RKLPNVVZKUBPOH-IAGOWNOFSA-N 0 0 335.444 2.984 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CO)c(F)c2)c1 ZINC000729048655 724857301 /nfs/dbraw/zinc/85/73/01/724857301.db2.gz FYEIJPMLTNNELW-NSHDSACASA-N 0 0 348.374 2.593 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC3(CCC3)O2)c1 ZINC000918745017 728920006 /nfs/dbraw/zinc/92/00/06/728920006.db2.gz ATLAFCFZYKVRHU-AWEZNQCLSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCc2nccc3c2CCCC3)c1 ZINC000918745299 728920177 /nfs/dbraw/zinc/92/01/77/728920177.db2.gz JRPFZLIZXNKTQU-UHFFFAOYSA-N 0 0 341.411 2.674 10 10 EFCERN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897409227 725432605 /nfs/dbraw/zinc/43/26/05/725432605.db2.gz UNAQQPIEANEDIZ-FZMZJTMJSA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@](C)(CCF)NCc1cc(Br)ccc1O ZINC000827352738 725589565 /nfs/dbraw/zinc/58/95/65/725589565.db2.gz OHVMEXUIWMYEKW-ZDUSSCGKSA-N 0 0 334.185 2.536 10 10 EFCERN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N=S(C)(C)=O)C1 ZINC000913641758 725792449 /nfs/dbraw/zinc/79/24/49/725792449.db2.gz HHTHGHJOWBJRHZ-UHFFFAOYSA-N 0 0 347.484 2.662 10 10 EFCERN COc1ccc([C@@]2(C(=O)N[C@@H](C)c3ccccc3O)C[C@@H](O)C2)cc1 ZINC000913763744 725853300 /nfs/dbraw/zinc/85/33/00/725853300.db2.gz QJEVXMGBXMYKCX-KPHUOKFYSA-N 0 0 341.407 2.671 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC000913926545 725953031 /nfs/dbraw/zinc/95/30/31/725953031.db2.gz GBEIXYLHVHPCBF-JSGCOSHPSA-N 0 0 345.365 2.519 10 10 EFCERN Nc1ccc(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000152590115 726183658 /nfs/dbraw/zinc/18/36/58/726183658.db2.gz GGQQSCDZZTZQLH-UHFFFAOYSA-N 0 0 341.386 2.507 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCc2cc(C)n(C)n2)cc1 ZINC000914254625 726205204 /nfs/dbraw/zinc/20/52/04/726205204.db2.gz ORVNPJFSIKCMDV-UHFFFAOYSA-N 0 0 343.475 2.617 10 10 EFCERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000914335098 726241146 /nfs/dbraw/zinc/24/11/46/726241146.db2.gz KIOHSDTXZNAGLE-GOEBONIOSA-N 0 0 349.500 2.607 10 10 EFCERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)NCc1ccc(N2CCOCC2)cc1 ZINC000914335821 726242191 /nfs/dbraw/zinc/24/21/91/726242191.db2.gz LYLRTHKPCOZINE-LNLFQRSKSA-N 0 0 343.471 2.759 10 10 EFCERN C/C=C\C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OCC ZINC000907399359 726928644 /nfs/dbraw/zinc/92/86/44/726928644.db2.gz GKMAZMDKFWIVPZ-MZBZXASESA-N 0 0 349.408 2.940 10 10 EFCERN O=C(NC1CCN(C(=O)C2=CC(=O)CS2)CC1)C1CCCCC1 ZINC000731871867 726945919 /nfs/dbraw/zinc/94/59/19/726945919.db2.gz TUOXLEWFWAEHFM-UHFFFAOYSA-N 0 0 336.457 2.755 10 10 EFCERN C[C@@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)c1ccc(N(C)C)cc1 ZINC000907493802 726953822 /nfs/dbraw/zinc/95/38/22/726953822.db2.gz SZXNVVOKTBPIDB-GFCCVEGCSA-N 0 0 338.411 2.612 10 10 EFCERN C[C@@H](NC(=O)c1cccc2[nH]c(CO)nc21)c1ccc(N(C)C)cc1 ZINC000907493384 726953920 /nfs/dbraw/zinc/95/39/20/726953920.db2.gz RAZWWNOYERNRJC-GFCCVEGCSA-N 0 0 338.411 2.612 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Cc3ccccc32)c1 ZINC000731990761 726973372 /nfs/dbraw/zinc/97/33/72/726973372.db2.gz HSGCTPSKQGAOEH-WBTMPAOCSA-N 0 0 335.407 2.680 10 10 EFCERN COC(=O)[C@@H](C)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000907695262 726994476 /nfs/dbraw/zinc/99/44/76/726994476.db2.gz WTTGXDOWIOCMGS-SECBINFHSA-N 0 0 349.408 2.869 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2=O)cc1)C1=CC(=O)CS1 ZINC000732276591 727013860 /nfs/dbraw/zinc/01/38/60/727013860.db2.gz LWZFJIKMHHTKJP-UHFFFAOYSA-N 0 0 330.409 2.901 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)CN1CCOCC1 ZINC000908044733 727086064 /nfs/dbraw/zinc/08/60/64/727086064.db2.gz FAXOHIHMLQXVAU-SAPNQHFASA-N 0 0 346.471 2.799 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@@]1(c2ccccc2)CCCO1 ZINC000915524216 727088564 /nfs/dbraw/zinc/08/85/64/727088564.db2.gz CISMKZXEWQRWFW-LJQANCHMSA-N 0 0 326.396 2.897 10 10 EFCERN CC1(C)C[C@@](C)(NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 ZINC000908451622 727192534 /nfs/dbraw/zinc/19/25/34/727192534.db2.gz ZELYCSNSMFGGOO-MRXNPFEDSA-N 0 0 335.381 2.527 10 10 EFCERN Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028047107 727408849 /nfs/dbraw/zinc/40/88/49/727408849.db2.gz MVOWLQVFFMBCML-ZHACJKMWSA-N 0 0 338.455 2.967 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910951997 727472759 /nfs/dbraw/zinc/47/27/59/727472759.db2.gz OGWMHBSTTBEPIA-BDJLRTHQSA-N 0 0 340.379 2.622 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910952000 727472834 /nfs/dbraw/zinc/47/28/34/727472834.db2.gz OGWMHBSTTBEPIA-ZBEGNZNMSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000910942593 727474939 /nfs/dbraw/zinc/47/49/39/727474939.db2.gz FSVPOSCNYKYAMF-JKSUJKDBSA-N 0 0 329.421 2.861 10 10 EFCERN Cc1ccncc1/C=C/C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911692176 727583958 /nfs/dbraw/zinc/58/39/58/727583958.db2.gz NDTQHPQBSHEDFB-VBROQKIQSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ccncc1/C=C\C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911692173 727584088 /nfs/dbraw/zinc/58/40/88/727584088.db2.gz NDTQHPQBSHEDFB-GEXIGZQTSA-N 0 0 326.371 2.740 10 10 EFCERN CC(C)(CO)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000911975855 727631065 /nfs/dbraw/zinc/63/10/65/727631065.db2.gz SFYKWKOXSQLZJJ-OAHLLOKOSA-N 0 0 335.425 2.839 10 10 EFCERN COc1cccc2c1OCC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC000916004547 727647319 /nfs/dbraw/zinc/64/73/19/727647319.db2.gz WSDFBPYLBSTNER-AWEZNQCLSA-N 0 0 346.358 2.863 10 10 EFCERN CCn1nc(C)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153964693 727680437 /nfs/dbraw/zinc/68/04/37/727680437.db2.gz UBGGBMGQUKOUBG-INIZCTEOSA-N 0 0 343.427 2.738 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)c(O)c1O ZINC000912349231 727698026 /nfs/dbraw/zinc/69/80/26/727698026.db2.gz ADVSKEPLQDGCQH-AWEZNQCLSA-N 0 0 349.390 2.979 10 10 EFCERN C[C@H](CO)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912394526 727704959 /nfs/dbraw/zinc/70/49/59/727704959.db2.gz LUWLPEXLMIZHGP-PWSUYJOCSA-N 0 0 335.425 2.936 10 10 EFCERN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912490059 727715266 /nfs/dbraw/zinc/71/52/66/727715266.db2.gz SAZXVYUBCAJDGY-LLVKDONJSA-N 0 0 346.349 2.505 10 10 EFCERN C[C@H](NCc1cc2c(cc1O)OCO2)c1cn(-c2ccccc2)nn1 ZINC000154138092 727718735 /nfs/dbraw/zinc/71/87/35/727718735.db2.gz TYIZHBSIQQCNRH-LBPRGKRZSA-N 0 0 338.367 2.552 10 10 EFCERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Br)c1[O-] ZINC000156075893 727728848 /nfs/dbraw/zinc/72/88/48/727728848.db2.gz SUOHBQIPHRZCKV-WCQYABFASA-N 0 0 325.250 2.823 10 10 EFCERN CN(C)c1ccc(CNc2nc3ccccc3c(NCCO)n2)cc1 ZINC000029078826 727735278 /nfs/dbraw/zinc/73/52/78/727735278.db2.gz CFPKXDUXJUXXNN-UHFFFAOYSA-N 0 0 337.427 2.712 10 10 EFCERN COC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158761 727778632 /nfs/dbraw/zinc/77/86/32/727778632.db2.gz SOPRSBZPWPQKQI-MRXNPFEDSA-N 0 0 340.423 2.772 10 10 EFCERN Cc1cc(CNC(=O)/C=C/Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000913167094 727791199 /nfs/dbraw/zinc/79/11/99/727791199.db2.gz MKZREHPFYXKAQD-VMPITWQZSA-N 0 0 349.438 2.867 10 10 EFCERN CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1cccc2nonc21 ZINC000163810513 727887476 /nfs/dbraw/zinc/88/74/76/727887476.db2.gz YNEMADHBFLRVHO-UHFFFAOYSA-N 0 0 347.396 2.780 10 10 EFCERN COc1cccc2[nH]cc(CCNC(=O)c3ccc(C)c(O)c3O)c21 ZINC000183004675 727922177 /nfs/dbraw/zinc/92/21/77/727922177.db2.gz GSWHVSHHWWXPCA-UHFFFAOYSA-N 0 0 340.379 2.869 10 10 EFCERN COc1ccc2nc(C(=O)NCCc3ccc(O)c(O)c3)ccc2c1 ZINC000156714956 727966686 /nfs/dbraw/zinc/96/66/86/727966686.db2.gz CBCLGZRCVDWEOU-UHFFFAOYSA-N 0 0 338.363 2.627 10 10 EFCERN O=C(N[C@@H]1CCCOC1)N(Cc1ccco1)Cc1ccccc1O ZINC000171613007 728544158 /nfs/dbraw/zinc/54/41/58/728544158.db2.gz SMUOMXZQQJBLDU-OAHLLOKOSA-N 0 0 330.384 2.876 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCc3cccnc3)CC2)cc1 ZINC000062106607 728558501 /nfs/dbraw/zinc/55/85/01/728558501.db2.gz AIGJCYVTALUOPF-UHFFFAOYSA-N 0 0 339.439 2.762 10 10 EFCERN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000172376872 728584371 /nfs/dbraw/zinc/58/43/71/728584371.db2.gz GXCNDFBMQINHFW-AWEZNQCLSA-N 0 0 337.439 2.754 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172447712 728590926 /nfs/dbraw/zinc/59/09/26/728590926.db2.gz FPEOAEPLQWPPME-KBPBESRZSA-N 0 0 345.468 2.930 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)c3cccnc3)CC2)cc1 ZINC000062634829 728592470 /nfs/dbraw/zinc/59/24/70/728592470.db2.gz MICIPGUXPZPASJ-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN CC(C)Cn1ccnc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000173439135 728626490 /nfs/dbraw/zinc/62/64/90/728626490.db2.gz RJELBFMZYZYMAF-UHFFFAOYSA-N 0 0 343.475 2.947 10 10 EFCERN CCc1cnccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000154985059 729029050 /nfs/dbraw/zinc/02/90/50/729029050.db2.gz RKHVSWSPXTUTFM-UHFFFAOYSA-N 0 0 343.402 2.550 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccsc1 ZINC000919809377 729090339 /nfs/dbraw/zinc/09/03/39/729090339.db2.gz OINOLCWFFGYWSX-UHFFFAOYSA-N 0 0 345.468 2.593 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCOC[C@H]1CC1CC1 ZINC000921447412 729459862 /nfs/dbraw/zinc/45/98/62/729459862.db2.gz ICVIWZAJFZAUEU-CYBMUJFWSA-N 0 0 341.502 2.836 10 10 EFCERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921451201 729460408 /nfs/dbraw/zinc/46/04/08/729460408.db2.gz LLTWPXIJTRTARD-QMMMGPOBSA-N 0 0 329.315 2.539 10 10 EFCERN C[C@]1(CS(=O)(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000921450578 729460544 /nfs/dbraw/zinc/46/05/44/729460544.db2.gz AYUPFXXOFKOUOL-LLVKDONJSA-N 0 0 342.219 2.535 10 10 EFCERN O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCc1c(O)cccc1F ZINC000921451613 729460822 /nfs/dbraw/zinc/46/08/22/729460822.db2.gz SQTYCSJLGKFGDU-MRVPVSSYSA-N 0 0 342.219 2.535 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC000175380126 729499068 /nfs/dbraw/zinc/49/90/68/729499068.db2.gz WMAOZJDLKQZIML-JTQLQIEISA-N 0 0 336.413 2.803 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175506976 729505677 /nfs/dbraw/zinc/50/56/77/729505677.db2.gz ICMUXOCPTBRWND-CVEARBPZSA-N 0 0 339.391 2.926 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000170880740 729713242 /nfs/dbraw/zinc/71/32/42/729713242.db2.gz JRDNMROETFVGQU-ABAIWWIYSA-N 0 0 328.368 2.895 10 10 EFCERN COc1ccccc1CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181044620 729776164 /nfs/dbraw/zinc/77/61/64/729776164.db2.gz OIOGLPXIFOTNDQ-CSKARUKUSA-N 0 0 327.380 2.821 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@H](O)c1cc(F)ccc1F ZINC000181133797 729786474 /nfs/dbraw/zinc/78/64/74/729786474.db2.gz LVDFZMROEYOPST-KRWDZBQOSA-N 0 0 334.366 2.963 10 10 EFCERN C[C@H](COCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181134519 729786584 /nfs/dbraw/zinc/78/65/84/729786584.db2.gz LCBQPNMEMBHQOX-QSYFUGGGSA-N 0 0 327.380 2.833 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000734847557 1126106793 /nfs/dbraw/zinc/10/67/93/1126106793.db2.gz OLUGHQSGYAQULF-UHFFFAOYSA-N 0 0 348.240 2.774 10 10 EFCERN O=Cc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]1 ZINC001570017725 1085866253 /nfs/dbraw/zinc/86/62/53/1085866253.db2.gz QJPJLORNIIAJPK-UHFFFAOYSA-N 0 0 331.335 2.789 10 10 EFCERN CCNC(=O)Nc1c(C)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001570131164 1085971485 /nfs/dbraw/zinc/97/14/85/1085971485.db2.gz QEJCUABXOAHUCA-UHFFFAOYSA-N 0 0 343.383 2.729 10 10 EFCERN COC(=O)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC001570442349 1086241714 /nfs/dbraw/zinc/24/17/14/1086241714.db2.gz PVCSKTQYATXXOI-XVNBXDOJSA-N 0 0 345.326 2.604 10 10 EFCERN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570475477 1086263832 /nfs/dbraw/zinc/26/38/32/1086263832.db2.gz MDLJAPUMWPQICG-TZMCWYRMSA-N 0 0 349.427 2.609 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1csc([N+](=O)[O-])c1 ZINC001570531987 1086317217 /nfs/dbraw/zinc/31/72/17/1086317217.db2.gz VRCQFTSMUNUGRB-UHFFFAOYSA-N 0 0 329.337 2.840 10 10 EFCERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2cccc(O)c2O)c1 ZINC001570811919 1086532241 /nfs/dbraw/zinc/53/22/41/1086532241.db2.gz OHGSRCVEYLEIJX-UHFFFAOYSA-N 0 0 330.340 2.700 10 10 EFCERN CC(C)CNC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001570846973 1086564950 /nfs/dbraw/zinc/56/49/50/1086564950.db2.gz ZKUDXPCSRFHRHH-UHFFFAOYSA-N 0 0 328.368 2.736 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(Br)c1F ZINC001647270359 1089188414 /nfs/dbraw/zinc/18/84/14/1089188414.db2.gz QNMJTAMNHMWYHO-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC001647788510 1089876127 /nfs/dbraw/zinc/87/61/27/1089876127.db2.gz HQYNXTCHGWJWQI-UHFFFAOYSA-N 0 0 348.358 2.806 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-n2cccn2)nc1 ZINC001647826608 1089887292 /nfs/dbraw/zinc/88/72/92/1089887292.db2.gz BLBGPFVYOULHMQ-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)c2cnn(C)c2n1 ZINC001647830043 1089887788 /nfs/dbraw/zinc/88/77/88/1089887788.db2.gz GDBIHYLUBFJHFJ-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN C[S@@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001647900910 1089906656 /nfs/dbraw/zinc/90/66/56/1089906656.db2.gz GLLJDUVYQASZQN-QFIPXVFZSA-N 0 0 339.800 2.977 10 10 EFCERN CCOC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCCC1 ZINC001583136345 1091907856 /nfs/dbraw/zinc/90/78/56/1091907856.db2.gz ACAWBVWMWAWVFY-SFHVURJKSA-N 0 0 349.427 2.659 10 10 EFCERN CCOC(=O)CCN(CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583192005 1091926622 /nfs/dbraw/zinc/92/66/22/1091926622.db2.gz SKAKITPAFVJNCQ-UHFFFAOYSA-N 0 0 346.387 2.654 10 10 EFCERN COc1cccnc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001584094304 1092108537 /nfs/dbraw/zinc/10/85/37/1092108537.db2.gz FHKYOVFTGQLOMY-CQSZACIVSA-N 0 0 327.428 2.826 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001648608303 1092237538 /nfs/dbraw/zinc/23/75/38/1092237538.db2.gz BJMRTNSQTINBMK-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccnn1CC(F)(F)F ZINC001648605844 1092239037 /nfs/dbraw/zinc/23/90/37/1092239037.db2.gz ATKIRAWWGRUCCH-UHFFFAOYSA-N 0 0 333.697 2.734 10 10 EFCERN O=C(Nc1cnc2ccnn2c1)c1cc2cc(O)c(O)cc2s1 ZINC001648677503 1092250870 /nfs/dbraw/zinc/25/08/70/1092250870.db2.gz ZLFFMMUGCXJQDM-UHFFFAOYSA-N 0 0 326.337 2.608 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000588499262 1092630121 /nfs/dbraw/zinc/63/01/21/1092630121.db2.gz ZZKXXQFOZOKJLS-OWNNVSBGSA-N 0 0 336.388 2.624 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC001586645842 1092748430 /nfs/dbraw/zinc/74/84/30/1092748430.db2.gz PLIMSXMTYYIOSI-UHFFFAOYSA-N 0 0 339.311 2.960 10 10 EFCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccccc2)CO1 ZINC001586938266 1092770166 /nfs/dbraw/zinc/77/01/66/1092770166.db2.gz HISACPBGOGGTBL-CJNGLKHVSA-N 0 0 327.380 2.629 10 10 EFCERN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001587316802 1092799907 /nfs/dbraw/zinc/79/99/07/1092799907.db2.gz MTPAPSNNNRDUJN-UHFFFAOYSA-N 0 0 339.395 2.513 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccccc1O ZINC001587451527 1092813548 /nfs/dbraw/zinc/81/35/48/1092813548.db2.gz YMAFOKBLDUFNGM-QWHCGFSZSA-N 0 0 342.370 2.762 10 10 EFCERN CCC[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001587489971 1092816381 /nfs/dbraw/zinc/81/63/81/1092816381.db2.gz AERVUEMUGDILBF-GDBMZVCRSA-N 0 0 332.444 2.789 10 10 EFCERN COc1ccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001587481678 1092816691 /nfs/dbraw/zinc/81/66/91/1092816691.db2.gz ADSHXFPIVUXVHI-UHFFFAOYSA-N 0 0 342.355 2.666 10 10 EFCERN COC(=O)Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001587932888 1092870478 /nfs/dbraw/zinc/87/04/78/1092870478.db2.gz COSFEVXUKLFBID-UHFFFAOYSA-N 0 0 330.315 2.866 10 10 EFCERN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H](C)C[NH2+]1 ZINC000708089100 1092973029 /nfs/dbraw/zinc/97/30/29/1092973029.db2.gz JZYVSTFQWVURLD-IUCAKERBSA-N 0 0 333.657 2.990 10 10 EFCERN Cn1ccc(Nc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001588845077 1092997615 /nfs/dbraw/zinc/99/76/15/1092997615.db2.gz SRZDQTRHCZDCAE-UHFFFAOYSA-N 0 0 338.367 2.756 10 10 EFCERN Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001650675247 1093481854 /nfs/dbraw/zinc/48/18/54/1093481854.db2.gz UMBHPQVMYHQXFA-UHFFFAOYSA-N 0 0 348.406 2.684 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](n3ccnc3)C2)cc1OC ZINC001650726548 1093488463 /nfs/dbraw/zinc/48/84/63/1093488463.db2.gz FXOXMMWIDXDNDE-LBPRGKRZSA-N 0 0 332.360 2.650 10 10 EFCERN Cc1[nH]c(C(=O)NCc2cccc(O)c2O)c(C)c1C(=O)OC(C)C ZINC001651172671 1093534974 /nfs/dbraw/zinc/53/49/74/1093534974.db2.gz AUPJDNISFFCBHN-UHFFFAOYSA-N 0 0 346.383 2.538 10 10 EFCERN CC(C)(C(=O)NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1F ZINC001651175572 1093535453 /nfs/dbraw/zinc/53/54/53/1093535453.db2.gz CSVXOOHKIKXHDT-UHFFFAOYSA-N 0 0 348.330 2.739 10 10 EFCERN COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OC(F)F ZINC001651222756 1093541156 /nfs/dbraw/zinc/54/11/56/1093541156.db2.gz OOGLKMRIBBUDSJ-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1sccc1Br ZINC001651223169 1093541365 /nfs/dbraw/zinc/54/13/65/1093541365.db2.gz YFPBXLQIFSXNSG-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN CN(C)c1ccc(C2(C(=O)NCc3cc(O)ccc3O)CC2)cc1 ZINC001651225504 1093542100 /nfs/dbraw/zinc/54/21/00/1093542100.db2.gz MLOYUCHTNPLJFE-UHFFFAOYSA-N 0 0 326.396 2.512 10 10 EFCERN Nc1cc(Cl)c(Cl)cc1C(=O)NCc1cc(O)ccc1O ZINC001593882063 1094413835 /nfs/dbraw/zinc/41/38/35/1094413835.db2.gz PYRCBFREECQQLO-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593873746 1094413866 /nfs/dbraw/zinc/41/38/66/1094413866.db2.gz ZGOGXNSQDZGUCG-ZBEGNZNMSA-N 0 0 340.379 2.622 10 10 EFCERN COc1cccc(C(=O)NCc2cc(O)ccc2O)c1OC(C)C ZINC001593882080 1094413913 /nfs/dbraw/zinc/41/39/13/1094413913.db2.gz QLIWFYCOZNPABG-UHFFFAOYSA-N 0 0 331.368 2.824 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593873745 1094414177 /nfs/dbraw/zinc/41/41/77/1094414177.db2.gz ZGOGXNSQDZGUCG-MEDUHNTESA-N 0 0 340.379 2.622 10 10 EFCERN CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccccc1[N+](=O)[O-] ZINC001593881005 1094414309 /nfs/dbraw/zinc/41/43/09/1094414309.db2.gz BTDMIRLIGOAERQ-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3cc(O)ccc3O)cc2C1 ZINC001593882372 1094414343 /nfs/dbraw/zinc/41/43/43/1094414343.db2.gz UHHJSLAZSXTJFE-LLVKDONJSA-N 0 0 342.395 2.643 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cccc(C(=O)c2ccco2)c1 ZINC001595595343 1094478251 /nfs/dbraw/zinc/47/82/51/1094478251.db2.gz BXRSETIROWMHKK-UHFFFAOYSA-N 0 0 337.331 2.852 10 10 EFCERN Cn1cc(CNc2ccc(C(=O)NCc3ccccc3O)cc2)cn1 ZINC001595792405 1094493595 /nfs/dbraw/zinc/49/35/95/1094493595.db2.gz KBPYMKYFJAYDHD-UHFFFAOYSA-N 0 0 336.395 2.668 10 10 EFCERN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001596160178 1094516655 /nfs/dbraw/zinc/51/66/55/1094516655.db2.gz DCXXFABGCUTFCU-JTQLQIEISA-N 0 0 328.328 2.833 10 10 EFCERN CN(CCO)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001596225863 1094520710 /nfs/dbraw/zinc/52/07/10/1094520710.db2.gz XLKHDZMKZXAYMM-UHFFFAOYSA-N 0 0 341.371 2.530 10 10 EFCERN CCCCC[C@@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733560 1094544908 /nfs/dbraw/zinc/54/49/08/1094544908.db2.gz UFAJTYUPRZRLOH-GOSISDBHSA-N 0 0 334.460 2.675 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ncoc1CCC(F)(F)F ZINC001596912120 1094552907 /nfs/dbraw/zinc/55/29/07/1094552907.db2.gz LTUIZPUACMPILX-UHFFFAOYSA-N 0 0 332.253 2.944 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001597569003 1094600003 /nfs/dbraw/zinc/60/00/03/1094600003.db2.gz MBTDOQSWURAZJE-FZMZJTMJSA-N 0 0 340.379 2.622 10 10 EFCERN Cc1ccccc1C1(C(=O)NCc2c(O)cccc2O)CCOCC1 ZINC001597569993 1094600322 /nfs/dbraw/zinc/60/03/22/1094600322.db2.gz ZOQXSKHMFBBLSA-UHFFFAOYSA-N 0 0 341.407 2.771 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001597569002 1094600771 /nfs/dbraw/zinc/60/07/71/1094600771.db2.gz MBTDOQSWURAZJE-BXUZGUMPSA-N 0 0 340.379 2.622 10 10 EFCERN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001597736526 1094619841 /nfs/dbraw/zinc/61/98/41/1094619841.db2.gz FNTCMIYHDXYBSP-GFCCVEGCSA-N 0 0 328.412 2.712 10 10 EFCERN COc1ccc([C@H](OC)[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001597768372 1094620546 /nfs/dbraw/zinc/62/05/46/1094620546.db2.gz AHGXPXPHENUFON-HXPMCKFVSA-N 0 0 345.395 2.541 10 10 EFCERN C[C@H]1CCn2cc(C(=O)NCc3ccc4c(c3)CCCN4C)nc2C1 ZINC001597855989 1094631887 /nfs/dbraw/zinc/63/18/87/1094631887.db2.gz TYEWNFCBVCGRGS-AWEZNQCLSA-N 0 0 338.455 2.778 10 10 EFCERN [O-]c1c(Br)cc(Cl)cc1CN1CC2(C1)CCC[NH2+]C2 ZINC000709931909 1097037855 /nfs/dbraw/zinc/03/78/55/1097037855.db2.gz SHHYTWXXZYVVLD-UHFFFAOYSA-N 0 0 345.668 2.994 10 10 EFCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001268533273 1097140229 /nfs/dbraw/zinc/14/02/29/1097140229.db2.gz KNNXDBCMKSMPOC-USGIZOSYSA-N 0 0 339.439 2.807 10 10 EFCERN Cc1nc(C(C)(C)NC(=O)c2cc3cc(O)c(O)cc3s2)no1 ZINC001626201951 1097907017 /nfs/dbraw/zinc/90/70/17/1097907017.db2.gz BBTPGYUNTFLFDF-UHFFFAOYSA-N 0 0 333.369 2.669 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncc2c(F)cccn21 ZINC001126441096 1098622134 /nfs/dbraw/zinc/62/21/34/1098622134.db2.gz QWVVLQQLIGVNCK-UHFFFAOYSA-N 0 0 340.358 2.579 10 10 EFCERN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781910384 1098696730 /nfs/dbraw/zinc/69/67/30/1098696730.db2.gz VQTWSHWTFOVXNB-OAHLLOKOSA-N 0 0 342.233 2.848 10 10 EFCERN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(OC)n1 ZINC001625927921 1098966220 /nfs/dbraw/zinc/96/62/20/1098966220.db2.gz OJUCQZYEOHSWCI-UHFFFAOYSA-N 0 0 329.316 2.514 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nsc2ccccc21 ZINC001611432288 1099010407 /nfs/dbraw/zinc/01/04/07/1099010407.db2.gz ZLZKYZMFGXPVPX-LLVKDONJSA-N 0 0 342.420 2.997 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCO[C@H](C)C1 ZINC001612538282 1099062128 /nfs/dbraw/zinc/06/21/28/1099062128.db2.gz UHEOFYFWOJYYMR-UKRRQHHQSA-N 0 0 330.432 2.744 10 10 EFCERN C[C@@H]1C[C@@H]1n1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001612708813 1099074549 /nfs/dbraw/zinc/07/45/49/1099074549.db2.gz XTNKUJMPDVKOHA-DOMZBBRYSA-N 0 0 338.415 2.602 10 10 EFCERN Oc1ccc(O)c(CNc2nn3cc(-c4cccnc4)nc3s2)c1 ZINC001612845264 1099081152 /nfs/dbraw/zinc/08/11/52/1099081152.db2.gz XYBMNIKTGHPRLP-UHFFFAOYSA-N 0 0 339.380 2.876 10 10 EFCERN Oc1cccc(O)c1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC001612966402 1099086086 /nfs/dbraw/zinc/08/60/86/1099086086.db2.gz DYKWKNQBZUWAJN-UHFFFAOYSA-N 0 0 333.351 2.815 10 10 EFCERN Brc1cnc2nc(CSc3nccs3)nn2c1 ZINC001613493859 1099101485 /nfs/dbraw/zinc/10/14/85/1099101485.db2.gz GBRLKAABJCCKLU-UHFFFAOYSA-N 0 0 328.220 2.636 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)[C@@H]2CCOC2)cc1 ZINC001615374689 1099156418 /nfs/dbraw/zinc/15/64/18/1099156418.db2.gz BZAFOEYKLQHMBI-GOSISDBHSA-N 0 0 343.475 2.706 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(F)cc2Cl)c1 ZINC001616985588 1099204816 /nfs/dbraw/zinc/20/48/16/1099204816.db2.gz VAEWELIRQXDEHW-UTCJRWHESA-N 0 0 347.777 2.910 10 10 EFCERN O=C(Nc1ccnn1[C@H]1CCCOC1)c1ccc(C2=S=CC=C2)o1 ZINC001618477402 1099299839 /nfs/dbraw/zinc/29/98/39/1099299839.db2.gz ILSYQTBDKILPHV-LBPRGKRZSA-N 0 0 343.408 2.706 10 10 EFCERN O=C(CCc1cn[nH]c1)N(Cc1ccco1)Cc1ccccc1O ZINC001622309632 1099500658 /nfs/dbraw/zinc/50/06/58/1099500658.db2.gz MVCJXPMAHJMAOM-UHFFFAOYSA-N 0 0 325.368 2.870 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc(F)c(C)c3N)CC2)cc1 ZINC001622438384 1099512993 /nfs/dbraw/zinc/51/29/93/1099512993.db2.gz RGSHPFBZFSJHNX-UHFFFAOYSA-N 0 0 343.402 2.687 10 10 EFCERN COc1cccc2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)cc21 ZINC001622753219 1099540934 /nfs/dbraw/zinc/54/09/34/1099540934.db2.gz MMEWSNUIMXUVPW-UHFFFAOYSA-N 0 0 326.352 2.560 10 10 EFCERN Nc1c(Cl)cc(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001622753502 1099541135 /nfs/dbraw/zinc/54/11/35/1099541135.db2.gz YPELHAUEMSTKEE-UHFFFAOYSA-N 0 0 341.194 2.959 10 10 EFCERN Cc1cnc(F)cc1C(=O)NCc1cccc(Br)c1O ZINC001623364970 1099580175 /nfs/dbraw/zinc/58/01/75/1099580175.db2.gz VTJZKVMEBPJAIW-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccncn1 ZINC001623484506 1099593162 /nfs/dbraw/zinc/59/31/62/1099593162.db2.gz ZQVAXKJDQCUVRJ-UHFFFAOYSA-N 0 0 334.379 2.627 10 10 EFCERN O=C(c1ncc(Cl)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001623639885 1099609832 /nfs/dbraw/zinc/60/98/32/1099609832.db2.gz BBKXNWRQVPIPPX-AWEZNQCLSA-N 0 0 347.802 2.657 10 10 EFCERN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001623924555 1099640720 /nfs/dbraw/zinc/64/07/20/1099640720.db2.gz JGIHYBDBTIRRQF-BBATYDOGSA-N 0 0 333.359 2.672 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1CCC1 ZINC001623928053 1099641370 /nfs/dbraw/zinc/64/13/70/1099641370.db2.gz CFAQWIHWOGMTHR-UHFFFAOYSA-N 0 0 325.792 2.737 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC001624092901 1099659012 /nfs/dbraw/zinc/65/90/12/1099659012.db2.gz MHVQWHAREPVHAV-UHFFFAOYSA-N 0 0 325.364 2.662 10 10 EFCERN COC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001624370185 1099685789 /nfs/dbraw/zinc/68/57/89/1099685789.db2.gz GTMMIGJAFKQRRN-CQSZACIVSA-N 0 0 349.814 2.840 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2nnc(-c3ccco3)o2)cc1 ZINC001624480651 1099696927 /nfs/dbraw/zinc/69/69/27/1099696927.db2.gz XNYBHTXPBABXGQ-UHFFFAOYSA-N 0 0 326.356 2.668 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001624897319 1099744349 /nfs/dbraw/zinc/74/43/49/1099744349.db2.gz GUQHMRFDEPCVRX-INIZCTEOSA-N 0 0 343.379 2.837 10 10 EFCERN Nc1ccc(F)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001624897899 1099745004 /nfs/dbraw/zinc/74/50/04/1099745004.db2.gz OUTJBBZMQBXFEB-UHFFFAOYSA-N 0 0 345.443 2.891 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc2cnccc2c1 ZINC001624954300 1099753852 /nfs/dbraw/zinc/75/38/52/1099753852.db2.gz HMBXARPKUPRUDL-CYBMUJFWSA-N 0 0 336.391 2.936 10 10 EFCERN CO[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001625437419 1099808986 /nfs/dbraw/zinc/80/89/86/1099808986.db2.gz PFDJCOUPSGHMLZ-HNNXBMFYSA-N 0 0 326.356 2.967 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(Oc2ccccc2)CC1 ZINC001625535857 1099822912 /nfs/dbraw/zinc/82/29/12/1099822912.db2.gz MHZDALHLCKVEKC-UHFFFAOYSA-N 0 0 327.380 2.710 10 10 EFCERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626654258 1099902584 /nfs/dbraw/zinc/90/25/84/1099902584.db2.gz YIDMQILTHWVEGB-CVEARBPZSA-N 0 0 338.367 2.891 10 10 EFCERN COCCN(Cc1cccnc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626819972 1099922931 /nfs/dbraw/zinc/92/29/31/1099922931.db2.gz QUPOJVWWBQMJJM-UHFFFAOYSA-N 0 0 341.371 2.533 10 10 EFCERN O=C(Cc1ccc2c(c1)COC2)NCc1ccc2cccnc2c1O ZINC001627072956 1099954171 /nfs/dbraw/zinc/95/41/71/1099954171.db2.gz JESWGNCLLUZIJD-UHFFFAOYSA-N 0 0 334.375 2.830 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(F)ccc3N)C2)cc1 ZINC001627163813 1099965143 /nfs/dbraw/zinc/96/51/43/1099965143.db2.gz WYLDAOGLQZDZKE-ZDUSSCGKSA-N 0 0 343.402 2.673 10 10 EFCERN O=C(NCc1cnn2ccccc12)c1cc2cc(O)c(O)cc2s1 ZINC001627186763 1099967041 /nfs/dbraw/zinc/96/70/41/1099967041.db2.gz ROBVUAWFSMKNSR-UHFFFAOYSA-N 0 0 339.376 2.890 10 10 EFCERN COc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001627663677 1100020127 /nfs/dbraw/zinc/02/01/27/1100020127.db2.gz NKHILEFLQKREBD-CYBMUJFWSA-N 0 0 329.396 2.739 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001627811419 1100034149 /nfs/dbraw/zinc/03/41/49/1100034149.db2.gz IXLIAINVYOQXAJ-HNNXBMFYSA-N 0 0 344.386 2.565 10 10 EFCERN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1C(N)=O ZINC001627949613 1100045126 /nfs/dbraw/zinc/04/51/26/1100045126.db2.gz QSODVEOGVCRGIE-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN Cc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001627993649 1100049942 /nfs/dbraw/zinc/04/99/42/1100049942.db2.gz QZABTUOIVATLSU-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN CO[C@](C)(CO)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001628095466 1100063109 /nfs/dbraw/zinc/06/31/09/1100063109.db2.gz GIEWKVIMGFMNEY-IBGZPJMESA-N 0 0 330.428 2.530 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@](C)(O)c1ccccc1 ZINC001628346225 1100090518 /nfs/dbraw/zinc/09/05/18/1100090518.db2.gz VKGHTLWCFNNSKC-SGTLLEGYSA-N 0 0 340.383 2.875 10 10 EFCERN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(-c2ccncc2)n1 ZINC001628666392 1100122889 /nfs/dbraw/zinc/12/28/89/1100122889.db2.gz CDFSRMQHOOPPBT-UHFFFAOYSA-N 0 0 342.786 2.771 10 10 EFCERN CC(=O)c1cccc(OCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628667209 1100122893 /nfs/dbraw/zinc/12/28/93/1100122893.db2.gz RYCNBSAYFXFOQQ-UHFFFAOYSA-N 0 0 333.771 2.943 10 10 EFCERN Cc1n[nH]c(C(=O)NCc2cc(Cl)ccc2O)c1Br ZINC001628666667 1100122900 /nfs/dbraw/zinc/12/29/00/1100122900.db2.gz IEHGKYVADHCHRG-UHFFFAOYSA-N 0 0 344.596 2.770 10 10 EFCERN CC(=O)NCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001628666506 1100122919 /nfs/dbraw/zinc/12/29/19/1100122919.db2.gz FHJOFCITINDMMU-UHFFFAOYSA-N 0 0 332.787 2.612 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1-c1ccoc1 ZINC001628727066 1100127479 /nfs/dbraw/zinc/12/74/79/1100127479.db2.gz LTSAYMNYJQLNTF-UHFFFAOYSA-N 0 0 338.367 2.775 10 10 EFCERN COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001628942041 1100151817 /nfs/dbraw/zinc/15/18/17/1100151817.db2.gz RPVYMUKZNFBUOQ-GFCCVEGCSA-N 0 0 345.395 2.843 10 10 EFCERN COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001628942042 1100151852 /nfs/dbraw/zinc/15/18/52/1100151852.db2.gz RPVYMUKZNFBUOQ-LBPRGKRZSA-N 0 0 345.395 2.843 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001629071028 1100167468 /nfs/dbraw/zinc/16/74/68/1100167468.db2.gz VNQGEBAGNCTGRY-CQSZACIVSA-N 0 0 347.436 2.910 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC001629189719 1100178268 /nfs/dbraw/zinc/17/82/68/1100178268.db2.gz JPKMIKQVGPKFHS-UHFFFAOYSA-N 0 0 335.327 2.886 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1c(C(F)F)nc2cnccn21 ZINC001629955124 1100262532 /nfs/dbraw/zinc/26/25/32/1100262532.db2.gz UGSJZMIWTHEITL-UHFFFAOYSA-N 0 0 332.310 2.645 10 10 EFCERN O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1O ZINC001630114354 1100276400 /nfs/dbraw/zinc/27/64/00/1100276400.db2.gz VUKRXUSNBNAODR-CYBMUJFWSA-N 0 0 342.178 2.868 10 10 EFCERN O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1O ZINC001630114355 1100276630 /nfs/dbraw/zinc/27/66/30/1100276630.db2.gz VUKRXUSNBNAODR-ZDUSSCGKSA-N 0 0 342.178 2.868 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=C[S@](=O)CCC1 ZINC001630181067 1100283381 /nfs/dbraw/zinc/28/33/81/1100283381.db2.gz SLVBUIZFFMUMEI-QKFKETGDSA-N 0 0 334.485 2.535 10 10 EFCERN Cc1cc(Cl)c(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001630273671 1100289640 /nfs/dbraw/zinc/28/96/40/1100289640.db2.gz SKRUPSMZTJSEQE-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(O)c(O)c1 ZINC001630273631 1100290172 /nfs/dbraw/zinc/29/01/72/1100290172.db2.gz RCDRCPKCXYNBSB-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN CCN(C(=O)c1cccc(O)c1O)[C@H](COC)Cc1ccccc1 ZINC001630697145 1100331682 /nfs/dbraw/zinc/33/16/82/1100331682.db2.gz BAUXTVFIAJZTNM-HNNXBMFYSA-N 0 0 329.396 2.818 10 10 EFCERN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631062366 1100365523 /nfs/dbraw/zinc/36/55/23/1100365523.db2.gz RKWLAEWJKVFSET-CQSZACIVSA-N 0 0 342.403 2.890 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001631154939 1100375756 /nfs/dbraw/zinc/37/57/56/1100375756.db2.gz NKFDCPILISOYRI-HNNXBMFYSA-N 0 0 326.421 2.913 10 10 EFCERN Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1OC(F)(F)F ZINC001631435038 1100399288 /nfs/dbraw/zinc/39/92/88/1100399288.db2.gz XRLWPAZWGDWABN-UHFFFAOYSA-N 0 0 342.273 2.509 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccnc(Cl)c1Cl ZINC001631509628 1100406339 /nfs/dbraw/zinc/40/63/39/1100406339.db2.gz CEEANHGFQDDCET-UHFFFAOYSA-N 0 0 327.167 2.772 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cncn1 ZINC001631531701 1100407495 /nfs/dbraw/zinc/40/74/95/1100407495.db2.gz ZJVBYPLLDMVLPT-OAHLLOKOSA-N 0 0 336.395 2.774 10 10 EFCERN COc1cccc(CNC(=O)C2=Cc3cc(C)ccc3OC2)c1O ZINC001631539694 1100408265 /nfs/dbraw/zinc/40/82/65/1100408265.db2.gz CBPATFANCIWYAD-UHFFFAOYSA-N 0 0 325.364 2.801 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(F)c2N)c1 ZINC001631541864 1100408567 /nfs/dbraw/zinc/40/85/67/1100408567.db2.gz BNCSDJIHXUGHCO-VIFPVBQESA-N 0 0 334.347 2.622 10 10 EFCERN CC(C)n1nc(C(=O)NCc2ccccc2O)c2ccccc2c1=O ZINC001631536314 1100408600 /nfs/dbraw/zinc/40/86/00/1100408600.db2.gz SUMPLLPAIPNEGE-UHFFFAOYSA-N 0 0 337.379 2.613 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001631722781 1100422859 /nfs/dbraw/zinc/42/28/59/1100422859.db2.gz IPOYQZMNISRIDV-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1 ZINC001632063434 1100451173 /nfs/dbraw/zinc/45/11/73/1100451173.db2.gz LYBMSIJDPSRPQD-UHFFFAOYSA-N 0 0 325.372 2.952 10 10 EFCERN CNC(=O)Nc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001632227621 1100460619 /nfs/dbraw/zinc/46/06/19/1100460619.db2.gz FWQYIBXCQBOFPI-UHFFFAOYSA-N 0 0 333.775 2.727 10 10 EFCERN C[C@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccccc1O ZINC001632250122 1100462749 /nfs/dbraw/zinc/46/27/49/1100462749.db2.gz KETCGZLDFJQMRN-LBPRGKRZSA-N 0 0 340.358 2.662 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(O)c1O)CCO2 ZINC001632498357 1100478480 /nfs/dbraw/zinc/47/84/80/1100478480.db2.gz XWDZVAWGEGBTIN-CQSZACIVSA-N 0 0 329.352 2.668 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001632523081 1100480896 /nfs/dbraw/zinc/48/08/96/1100480896.db2.gz XXOKOSZHZONKFR-QAPCUYQASA-N 0 0 345.370 2.816 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)c(F)cc3N)C2)cc1 ZINC001632616956 1100489197 /nfs/dbraw/zinc/48/91/97/1100489197.db2.gz ALTXDYWRRQJWGP-NSHDSACASA-N 0 0 347.365 2.564 10 10 EFCERN O=C(NCCCSc1nccs1)c1cccc2oc(=O)[nH]c21 ZINC001632806931 1100501739 /nfs/dbraw/zinc/50/17/39/1100501739.db2.gz HKZCMQGZVYOMOU-UHFFFAOYSA-N 0 0 335.410 2.902 10 10 EFCERN COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cnc1OC ZINC001633123802 1100523287 /nfs/dbraw/zinc/52/32/87/1100523287.db2.gz DVPVWLCBNCVVDQ-UHFFFAOYSA-N 0 0 329.316 2.514 10 10 EFCERN Cc1cc(C(F)(F)C(=O)NCc2cccc(O)c2O)cnc1Cl ZINC001633515494 1100546423 /nfs/dbraw/zinc/54/64/23/1100546423.db2.gz CJZXVTQKZBJEJO-UHFFFAOYSA-N 0 0 342.729 2.863 10 10 EFCERN CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001633599081 1100552932 /nfs/dbraw/zinc/55/29/32/1100552932.db2.gz OAGQBIIBCNVGNG-UHFFFAOYSA-N 0 0 348.330 2.739 10 10 EFCERN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(NC2CC2)n1 ZINC001633818039 1100567207 /nfs/dbraw/zinc/56/72/07/1100567207.db2.gz CJVRGBQGSROCKQ-LLVKDONJSA-N 0 0 341.411 2.737 10 10 EFCERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001633818786 1100567806 /nfs/dbraw/zinc/56/78/06/1100567806.db2.gz LMZDBIXKGNZVNJ-VIFPVBQESA-N 0 0 348.330 2.815 10 10 EFCERN COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001634344887 1100601407 /nfs/dbraw/zinc/60/14/07/1100601407.db2.gz WBBVGCQOTDPMIB-UHFFFAOYSA-N 0 0 338.327 2.986 10 10 EFCERN C[C@@](O)(CCNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001634687828 1100624220 /nfs/dbraw/zinc/62/42/20/1100624220.db2.gz SXOSCWWWYZZDOJ-GOSISDBHSA-N 0 0 340.383 2.877 10 10 EFCERN COc1ccc(CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)c(O)c1 ZINC001635042171 1100641211 /nfs/dbraw/zinc/64/12/11/1100641211.db2.gz IRCBENNSDZSIAX-HNNXBMFYSA-N 0 0 342.420 2.579 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccnn1-c1ccccc1 ZINC001635065028 1100642523 /nfs/dbraw/zinc/64/25/23/1100642523.db2.gz XXFKFBARRRZBOP-CLFYSBASSA-N 0 0 349.390 2.656 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCn3cccc3)CC2)cc1 ZINC000049470089 1100644139 /nfs/dbraw/zinc/64/41/39/1100644139.db2.gz KWEHWNQVLIZYBS-UHFFFAOYSA-N 0 0 327.428 2.626 10 10 EFCERN Cc1cc(CNC(=O)c2nccnc2N)c(C)n1-c1cccc(C)c1 ZINC001635327000 1100655061 /nfs/dbraw/zinc/65/50/61/1100655061.db2.gz NYWNVPYCWXUMOB-UHFFFAOYSA-N 0 0 335.411 2.705 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1noc(-c2cccc(F)c2)n1 ZINC001635360195 1100656426 /nfs/dbraw/zinc/65/64/26/1100656426.db2.gz CVPACCCTWBXRPB-UHFFFAOYSA-N 0 0 331.278 2.650 10 10 EFCERN Cc1noc(-c2ccc(C(=O)NCc3c(O)cccc3F)cc2)n1 ZINC001635360146 1100656556 /nfs/dbraw/zinc/65/65/56/1100656556.db2.gz AXKGGCHSUMMYQW-UHFFFAOYSA-N 0 0 327.315 2.820 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnnn1-c1ccccc1Cl ZINC001635360295 1100656781 /nfs/dbraw/zinc/65/67/81/1100656781.db2.gz IEOYDPVMEPNUCN-UHFFFAOYSA-N 0 0 346.749 2.695 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc(Cl)nc2)cc1 ZINC001635424511 1100661879 /nfs/dbraw/zinc/66/18/79/1100661879.db2.gz YILKYYQSBLZZTB-UHFFFAOYSA-N 0 0 331.763 2.870 10 10 EFCERN COC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001635444615 1100662266 /nfs/dbraw/zinc/66/22/66/1100662266.db2.gz UVCFFGURXZHQNE-UHFFFAOYSA-N 0 0 330.340 2.766 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1c(F)cccc1OC(F)F ZINC001635725483 1100676718 /nfs/dbraw/zinc/67/67/18/1100676718.db2.gz DLBSHFOZYANXEI-UHFFFAOYSA-N 0 0 341.285 2.697 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1ccccc1O ZINC001635799274 1100680946 /nfs/dbraw/zinc/68/09/46/1100680946.db2.gz WQURCQXKPDPFJT-BXUZGUMPSA-N 0 0 342.420 2.837 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1ccccc1O ZINC001635799275 1100680979 /nfs/dbraw/zinc/68/09/79/1100680979.db2.gz WQURCQXKPDPFJT-RISCZKNCSA-N 0 0 342.420 2.837 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001635843499 1100683725 /nfs/dbraw/zinc/68/37/25/1100683725.db2.gz VGUJHICAULFNCU-HNNXBMFYSA-N 0 0 343.379 2.586 10 10 EFCERN O=C(CSc1ccc2c(c1)CCC2)NCc1c(O)cccc1O ZINC001635843196 1100683802 /nfs/dbraw/zinc/68/38/02/1100683802.db2.gz IXWLWAJZFUTWIJ-UHFFFAOYSA-N 0 0 329.421 2.995 10 10 EFCERN COc1cccc(C(=O)CCCC(=O)NCc2c(O)cccc2O)c1 ZINC001635847971 1100683948 /nfs/dbraw/zinc/68/39/48/1100683948.db2.gz YHLBWLRPKOLTHC-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN Nc1cc(C(F)(F)F)ccc1C(=O)NCc1c(O)cccc1O ZINC001635850222 1100684436 /nfs/dbraw/zinc/68/44/36/1100684436.db2.gz IWVFGFMROFPLIF-UHFFFAOYSA-N 0 0 326.274 2.629 10 10 EFCERN O=C(CCc1cccc(OC(F)F)c1)NCc1ccc(O)c(O)c1 ZINC001635959926 1100689394 /nfs/dbraw/zinc/68/93/94/1100689394.db2.gz QLYAQOLESMDKBR-UHFFFAOYSA-N 0 0 337.322 2.948 10 10 EFCERN COc1cc(Cl)c(F)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001635959910 1100689872 /nfs/dbraw/zinc/68/98/72/1100689872.db2.gz QJVDUVQVSILDAW-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3ncn(C)c32)c1 ZINC001636061293 1100697209 /nfs/dbraw/zinc/69/72/09/1100697209.db2.gz MGGLXUFNRPRCNS-NSHDSACASA-N 0 0 325.368 2.779 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C3CC3)[nH]c2=O)c1 ZINC001636066408 1100698302 /nfs/dbraw/zinc/69/83/02/1100698302.db2.gz IEBCGCFMFPFKMW-SNVBAGLBSA-N 0 0 328.368 2.870 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C3CC3)[nH]c2=O)c1 ZINC001636066407 1100698453 /nfs/dbraw/zinc/69/84/53/1100698453.db2.gz IEBCGCFMFPFKMW-JTQLQIEISA-N 0 0 328.368 2.870 10 10 EFCERN CC(C)(CO)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001636730057 1100735257 /nfs/dbraw/zinc/73/52/57/1100735257.db2.gz JGIFGEVDZKMMTN-INIZCTEOSA-N 0 0 343.423 2.559 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC001636853914 1100741550 /nfs/dbraw/zinc/74/15/50/1100741550.db2.gz NQJVWAPGAUKWFP-RVKKMQEKSA-N 0 0 329.444 2.858 10 10 EFCERN Nc1ncnc2cc(C(=O)NCc3cccc(Cl)c3O)ccc12 ZINC001637227097 1100766094 /nfs/dbraw/zinc/76/60/94/1100766094.db2.gz NEIOWPQSOXBQMT-UHFFFAOYSA-N 0 0 328.759 2.501 10 10 EFCERN COCCn1ccc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 ZINC001637348826 1100773884 /nfs/dbraw/zinc/77/38/84/1100773884.db2.gz WRQNJIFPULFZIY-UHFFFAOYSA-N 0 0 340.379 2.880 10 10 EFCERN CC(C)(O)c1cnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001638169243 1100839069 /nfs/dbraw/zinc/83/90/69/1100839069.db2.gz DUALGHXBJJDJQE-UHFFFAOYSA-N 0 0 333.373 2.785 10 10 EFCERN CC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001638342322 1100850184 /nfs/dbraw/zinc/85/01/84/1100850184.db2.gz LVLFTHSICMGKRB-JTQLQIEISA-N 0 0 346.358 2.556 10 10 EFCERN COC(=O)N1CC(C)(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001638358298 1100850918 /nfs/dbraw/zinc/85/09/18/1100850918.db2.gz MFMYWZWTHJCUSY-UHFFFAOYSA-N 0 0 341.411 2.665 10 10 EFCERN C=CC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001638348654 1100851358 /nfs/dbraw/zinc/85/13/58/1100851358.db2.gz WTJZBKZZYDVYPD-GFCCVEGCSA-N 0 0 340.379 2.583 10 10 EFCERN CCCCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C ZINC001638428603 1100859521 /nfs/dbraw/zinc/85/95/21/1100859521.db2.gz BELGTGCXQZNMRJ-QWHCGFSZSA-N 0 0 325.380 2.951 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(=O)c2ccccc2o1 ZINC001638569546 1100869631 /nfs/dbraw/zinc/86/96/31/1100869631.db2.gz HQHAQWHUOVIINE-UHFFFAOYSA-N 0 0 346.342 2.977 10 10 EFCERN Cn1nc2ccccc2c1C(=O)NCc1ccc2cccnc2c1O ZINC001638572982 1100869761 /nfs/dbraw/zinc/86/97/61/1100869761.db2.gz DKDCMWFAKUEJIY-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN Cc1cccc2c1O[C@@H](C(=O)NCc1ccc3cccnc3c1O)C2 ZINC001638573105 1100870986 /nfs/dbraw/zinc/87/09/86/1100870986.db2.gz JBBYXQZPOCMANK-MRXNPFEDSA-N 0 0 334.375 2.869 10 10 EFCERN CC(C)(C)c1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)[nH]1 ZINC001638818995 1100887757 /nfs/dbraw/zinc/88/77/57/1100887757.db2.gz PKQRXKQKDCYXGW-UHFFFAOYSA-N 0 0 346.412 2.658 10 10 EFCERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1c(O)cccc1F ZINC001638866777 1100892319 /nfs/dbraw/zinc/89/23/19/1100892319.db2.gz MJOPEONCSXIZPA-LLVKDONJSA-N 0 0 328.343 2.664 10 10 EFCERN COc1ccc(OCCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001639289058 1100933954 /nfs/dbraw/zinc/93/39/54/1100933954.db2.gz HVQVHXSQWJDFPO-UHFFFAOYSA-N 0 0 331.368 2.582 10 10 EFCERN COc1ccc(F)c2[nH]c(C(=O)NCc3c(O)cccc3O)cc21 ZINC001639292657 1100934908 /nfs/dbraw/zinc/93/49/08/1100934908.db2.gz LVLGIVUHXRMPJE-UHFFFAOYSA-N 0 0 330.315 2.657 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnccc1Nc1ccccc1 ZINC001639292428 1100934937 /nfs/dbraw/zinc/93/49/37/1100934937.db2.gz BSIHPXNQHVPJFZ-UHFFFAOYSA-N 0 0 335.363 2.588 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc([C@@H]2CCCOC2)cc1 ZINC001639293013 1100935285 /nfs/dbraw/zinc/93/52/85/1100935285.db2.gz ZRZWQXAWMYGRHD-OAHLLOKOSA-N 0 0 327.380 2.922 10 10 EFCERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1c(O)cccc1O ZINC001639289792 1100935294 /nfs/dbraw/zinc/93/52/94/1100935294.db2.gz WPBCPAVMKBBWCM-SECBINFHSA-N 0 0 339.750 2.974 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)cc1 ZINC001639320492 1100938719 /nfs/dbraw/zinc/93/87/19/1100938719.db2.gz DTPINHSUMCSPSG-CQSZACIVSA-N 0 0 330.388 2.928 10 10 EFCERN CCCC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384636 1100943175 /nfs/dbraw/zinc/94/31/75/1100943175.db2.gz NPQHUMZIXFVNEI-QGZVFWFLSA-N 0 0 340.423 2.953 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)OCC(=O)N2 ZINC001639384664 1100943412 /nfs/dbraw/zinc/94/34/12/1100943412.db2.gz PEZLCKDNRQKUCE-UHFFFAOYSA-N 0 0 348.358 2.806 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2N)c(O)c1 ZINC001639459083 1100952015 /nfs/dbraw/zinc/95/20/15/1100952015.db2.gz QDLFZSLQCCNJKK-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN O=C(CSCc1cscn1)NCc1ccc2cccnc2c1O ZINC001639621633 1100967167 /nfs/dbraw/zinc/96/71/67/1100967167.db2.gz MZXVEXRACZCMMK-UHFFFAOYSA-N 0 0 345.449 2.947 10 10 EFCERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc2cccnc2c1O ZINC001639621545 1100967282 /nfs/dbraw/zinc/96/72/82/1100967282.db2.gz JXSTXDPWTDUPEU-UHFFFAOYSA-N 0 0 337.335 2.708 10 10 EFCERN COc1cc(C)cc(C(=O)NCc2ccc3cccnc3c2O)c1O ZINC001639621515 1100967539 /nfs/dbraw/zinc/96/75/39/1100967539.db2.gz IGFDUYUDVWPBAF-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001639958854 1100997981 /nfs/dbraw/zinc/99/79/81/1100997981.db2.gz BVVODVPSDHCXPP-UHFFFAOYSA-N 0 0 339.439 2.658 10 10 EFCERN COC(=O)c1coc(/C=C/C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001639965492 1100999348 /nfs/dbraw/zinc/99/93/48/1100999348.db2.gz LRMZKDVTOPFBMC-HWKANZROSA-N 0 0 335.743 2.755 10 10 EFCERN O=C(Cc1cn2cc(F)ccc2n1)NCc1cc(Cl)ccc1O ZINC001639965696 1100999718 /nfs/dbraw/zinc/99/97/18/1100999718.db2.gz PDCMBKVLZIXDFM-UHFFFAOYSA-N 0 0 333.750 2.691 10 10 EFCERN Cc1ccncc1CC(=O)NCc1cccc(Br)c1O ZINC001640087961 1101012848 /nfs/dbraw/zinc/01/28/48/1101012848.db2.gz NUPVYXGLFOTCRZ-UHFFFAOYSA-N 0 0 335.201 2.717 10 10 EFCERN CCCCOC(=O)C(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640231637 1101025629 /nfs/dbraw/zinc/02/56/29/1101025629.db2.gz HFYXDSCISNNFFI-UHFFFAOYSA-N 0 0 334.376 2.701 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC001640247797 1101028306 /nfs/dbraw/zinc/02/83/06/1101028306.db2.gz ITLDUFNEFXPMRJ-HNNXBMFYSA-N 0 0 339.317 2.850 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(CC)cc1Cl ZINC001640260188 1101030682 /nfs/dbraw/zinc/03/06/82/1101030682.db2.gz UOBIAFJCDBXQTG-UHFFFAOYSA-N 0 0 328.796 2.678 10 10 EFCERN CC(=O)N(CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001640405329 1101043967 /nfs/dbraw/zinc/04/39/67/1101043967.db2.gz RHENYMATVOGMKM-UHFFFAOYSA-N 0 0 332.787 2.715 10 10 EFCERN C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640454652 1101048732 /nfs/dbraw/zinc/04/87/32/1101048732.db2.gz XIOHEPGPJGYJEX-APPDUMDISA-N 0 0 343.387 2.675 10 10 EFCERN C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640454655 1101049096 /nfs/dbraw/zinc/04/90/96/1101049096.db2.gz XIOHEPGPJGYJEX-PIGZYNQJSA-N 0 0 343.387 2.675 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCOC1(C)C ZINC000840381504 1101049514 /nfs/dbraw/zinc/04/95/14/1101049514.db2.gz FYSBTHOJWWMFSB-YOEHRIQHSA-N 0 0 333.476 2.859 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001640510046 1101054335 /nfs/dbraw/zinc/05/43/35/1101054335.db2.gz OFNZTHRZDMBUHL-UHFFFAOYSA-N 0 0 340.423 2.956 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnc(-n3cccn3)c2)cc1 ZINC001640519585 1101055078 /nfs/dbraw/zinc/05/50/78/1101055078.db2.gz XZUIIGGKMPDIEH-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN Cc1cc(C(=O)Nc2cnn(CCF)c2)c(C)n1-c1ccccn1 ZINC001640579470 1101061657 /nfs/dbraw/zinc/06/16/57/1101061657.db2.gz CWWFEADNHNAEIQ-UHFFFAOYSA-N 0 0 327.363 2.907 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(F)ccc2N)cc1 ZINC001640771353 1101078792 /nfs/dbraw/zinc/07/87/92/1101078792.db2.gz JJQCSKNJGYFCEF-UHFFFAOYSA-N 0 0 331.391 2.625 10 10 EFCERN COc1ccc2onc(CC(=O)NCc3cc(C)ccc3O)c2c1 ZINC001640797006 1101079385 /nfs/dbraw/zinc/07/93/85/1101079385.db2.gz VUJFTDPXTKFAFU-UHFFFAOYSA-N 0 0 326.352 2.709 10 10 EFCERN Cn1c(=O)[nH]c2cc(C(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001640919839 1101087934 /nfs/dbraw/zinc/08/79/34/1101087934.db2.gz CFNIUZLENCITIT-UHFFFAOYSA-N 0 0 331.759 2.568 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOC(=O)N(C)C ZINC001640962561 1101092159 /nfs/dbraw/zinc/09/21/59/1101092159.db2.gz NKLWHDMVECVFQD-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN Cc1cc2c(CCNC(=O)Cc3ccc(O)c(O)c3)c[nH]c2cc1F ZINC001641639492 1101153121 /nfs/dbraw/zinc/15/31/21/1101153121.db2.gz JMARBXINHYIHMC-UHFFFAOYSA-N 0 0 342.370 2.928 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C(F)(F)Oc2ccc(C=O)cc2)c1 ZINC001641729729 1101159960 /nfs/dbraw/zinc/15/99/60/1101159960.db2.gz XYVLQPBRPQQGFI-UHFFFAOYSA-N 0 0 335.306 2.801 10 10 EFCERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1cc(C)ccc1O ZINC001641733456 1101160976 /nfs/dbraw/zinc/16/09/76/1101160976.db2.gz WSSXCUTXWGADIH-UHFFFAOYSA-N 0 0 342.424 2.796 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c1 ZINC001641732486 1101161062 /nfs/dbraw/zinc/16/10/62/1101161062.db2.gz CMTAXZWFEIZGEF-AWEZNQCLSA-N 0 0 342.420 2.585 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nnc(/C=C/c2ccco2)s1 ZINC001642064987 1101187463 /nfs/dbraw/zinc/18/74/63/1101187463.db2.gz VJUJPFSQOVWENJ-GQCTYLIASA-N 0 0 343.364 2.894 10 10 EFCERN CCc1cccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001642253644 1101201918 /nfs/dbraw/zinc/20/19/18/1101201918.db2.gz QABFWEWUQZEJHZ-UHFFFAOYSA-N 0 0 348.424 2.603 10 10 EFCERN CCCOc1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001642419809 1101211846 /nfs/dbraw/zinc/21/18/46/1101211846.db2.gz JBFHAFPOFBIPAP-UHFFFAOYSA-N 0 0 328.416 2.601 10 10 EFCERN Cc1nnc2c(N(Cc3ccco3)Cc3ccccc3O)nccn12 ZINC001642508895 1101218914 /nfs/dbraw/zinc/21/89/14/1101218914.db2.gz NZDWNPVTMUZELK-UHFFFAOYSA-N 0 0 335.367 2.938 10 10 EFCERN COc1ccc2c(c1)C[C@@H](CN1CCOc3cc(N(C)C)ccc31)O2 ZINC001642567476 1101224359 /nfs/dbraw/zinc/22/43/59/1101224359.db2.gz QFQIFVXRRHUUNY-KRWDZBQOSA-N 0 0 340.423 2.964 10 10 EFCERN Cc1cc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)c(C)n1-c1ccccn1 ZINC001642566240 1101224475 /nfs/dbraw/zinc/22/44/75/1101224475.db2.gz NDNRNOBXULPEFU-DLBZAZTESA-N 0 0 339.439 2.986 10 10 EFCERN O=C(CCC(=O)c1c(F)cccc1F)NCc1ccc(O)cc1O ZINC001643104137 1101271031 /nfs/dbraw/zinc/27/10/31/1101271031.db2.gz NEYWQPYDQDRLAV-UHFFFAOYSA-N 0 0 335.306 2.655 10 10 EFCERN Oc1ccc(O)c(CNc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC001643129792 1101273375 /nfs/dbraw/zinc/27/33/75/1101273375.db2.gz JCGSXIOOPLGDCY-UHFFFAOYSA-N 0 0 333.351 2.815 10 10 EFCERN O=C(c1cc(NCc2ccccc2)ccn1)N1Cc2cccc(O)c2C1 ZINC001643173704 1101276832 /nfs/dbraw/zinc/27/68/32/1101276832.db2.gz QNEVKQLPLZIDBY-UHFFFAOYSA-N 0 0 345.402 2.977 10 10 EFCERN CCOC(=O)c1cc(C(C)C)nc(NCc2c(O)cccc2O)n1 ZINC001643230554 1101282935 /nfs/dbraw/zinc/28/29/35/1101282935.db2.gz VKSOYEQOUWMOLX-UHFFFAOYSA-N 0 0 331.372 2.800 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ncc(C)cn2)c1 ZINC001643374393 1101293852 /nfs/dbraw/zinc/29/38/52/1101293852.db2.gz JPSOPZRGOXMEIS-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC001643388393 1101295593 /nfs/dbraw/zinc/29/55/93/1101295593.db2.gz VSQYSKVQQFFPSI-JBBXEZCESA-N 0 0 329.783 2.748 10 10 EFCERN C[C@H](NC(=O)c1cccc(O)c1O)c1ccncc1Br ZINC001651367183 1101318950 /nfs/dbraw/zinc/31/89/50/1101318950.db2.gz KZUNSGDWMKKNCQ-QMMMGPOBSA-N 0 0 337.173 2.746 10 10 EFCERN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001652252324 1101460573 /nfs/dbraw/zinc/46/05/73/1101460573.db2.gz IXJGOMVROGUWBF-HNNXBMFYSA-N 0 0 325.368 2.942 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2ncon2)C1 ZINC001652268650 1101465125 /nfs/dbraw/zinc/46/51/25/1101465125.db2.gz OTTOTQXFEQVENP-SECBINFHSA-N 0 0 345.380 2.715 10 10 EFCERN CC(C)NC(=O)Nc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001652295472 1101471683 /nfs/dbraw/zinc/47/16/83/1101471683.db2.gz KUTPUMFIABLNNS-UHFFFAOYSA-N 0 0 345.374 2.991 10 10 EFCERN C[C@H]1CCN(c2cc(C(=O)NCc3c(O)cccc3F)ccn2)C1 ZINC001652295899 1101471911 /nfs/dbraw/zinc/47/19/11/1101471911.db2.gz UPKPGQVLVBLZDE-LBPRGKRZSA-N 0 0 329.375 2.703 10 10 EFCERN Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cn1 ZINC001652585080 1101516494 /nfs/dbraw/zinc/51/64/94/1101516494.db2.gz GSTBYBDXQNUPDC-UHFFFAOYSA-N 0 0 343.318 2.616 10 10 EFCERN COc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2O)cc1OC ZINC001652625382 1101521305 /nfs/dbraw/zinc/52/13/05/1101521305.db2.gz DGZVHMBTCKGRMM-UHFFFAOYSA-N 0 0 345.395 2.709 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1-c1nccs1 ZINC001652625363 1101521874 /nfs/dbraw/zinc/52/18/74/1101521874.db2.gz CSKLVGFJTCJEFL-UHFFFAOYSA-N 0 0 343.408 2.892 10 10 EFCERN CC(C)Oc1ncc(C(=O)NCc2c(O)cccc2O)cc1Cl ZINC001652623145 1101522534 /nfs/dbraw/zinc/52/25/34/1101522534.db2.gz OWLVLKJOMMYORX-UHFFFAOYSA-N 0 0 336.775 2.863 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)c(C)c1 ZINC001652628924 1101523291 /nfs/dbraw/zinc/52/32/91/1101523291.db2.gz PMUPBJYALFDAFM-UHFFFAOYSA-N 0 0 330.340 2.515 10 10 EFCERN Cc1nc(C2CCC2)sc1CC(=O)NCc1c(O)cccc1O ZINC001652628861 1101523888 /nfs/dbraw/zinc/52/38/88/1101523888.db2.gz MSVSQQMCUJMFJN-UHFFFAOYSA-N 0 0 332.425 2.989 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001652629146 1101524105 /nfs/dbraw/zinc/52/41/05/1101524105.db2.gz YAEKOQCWVGQPRE-OAHLLOKOSA-N 0 0 335.306 2.814 10 10 EFCERN CCC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705455 1101532686 /nfs/dbraw/zinc/53/26/86/1101532686.db2.gz GCWKQJCBNLHJFV-KRWDZBQOSA-N 0 0 340.423 2.953 10 10 EFCERN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705786 1101534065 /nfs/dbraw/zinc/53/40/65/1101534065.db2.gz NVXAVWXEKIGQBP-HIFRSBDPSA-N 0 0 329.396 2.746 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC001653160679 1101592806 /nfs/dbraw/zinc/59/28/06/1101592806.db2.gz KGRPSNYZYWZKNF-ZFWWWQNUSA-N 0 0 330.388 2.784 10 10 EFCERN COC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000843554630 1101727303 /nfs/dbraw/zinc/72/73/03/1101727303.db2.gz ORKKZXXNFPWZNL-LBPRGKRZSA-N 0 0 340.370 2.552 10 10 EFCERN COc1ccc(N(CC(=O)N2CCOC(C)(C)C2)CC(C)C)cc1 ZINC001654766878 1101754119 /nfs/dbraw/zinc/75/41/19/1101754119.db2.gz DNHFPCLFYGEUSX-UHFFFAOYSA-N 0 0 334.460 2.795 10 10 EFCERN CCN(C)c1ccc(CN2CCCC[C@]2(COC)C(=O)OC)cc1 ZINC001655172886 1101791671 /nfs/dbraw/zinc/79/16/71/1101791671.db2.gz RGTLTCUDQFWDOC-IBGZPJMESA-N 0 0 334.460 2.687 10 10 EFCERN CN(C)Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC001625847921 1101807897 /nfs/dbraw/zinc/80/78/97/1101807897.db2.gz MWDUOXIVSKBXNO-UHFFFAOYSA-N 0 0 327.428 2.654 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccc(F)c(C=O)c3)ccc21 ZINC001625847805 1101807962 /nfs/dbraw/zinc/80/79/62/1101807962.db2.gz HWBPZQDLRQPQFU-UHFFFAOYSA-N 0 0 326.371 2.951 10 10 EFCERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC001625848146 1101812092 /nfs/dbraw/zinc/81/20/92/1101812092.db2.gz WRVJZQMZIXQJPC-UHFFFAOYSA-N 0 0 340.383 2.611 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)nc1 ZINC000588403782 1101901705 /nfs/dbraw/zinc/90/17/05/1101901705.db2.gz ZPJWPIROVIQRCA-YWEYNIOJSA-N 0 0 325.368 2.745 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccn(C2CCCC2)n1 ZINC000588407236 1101941734 /nfs/dbraw/zinc/94/17/34/1101941734.db2.gz BMLFUTYDWFRCHO-VURMDHGXSA-N 0 0 327.384 2.739 10 10 EFCERN CCOc1cccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407398 1101974555 /nfs/dbraw/zinc/97/45/55/1101974555.db2.gz ZQBXKDMVDHRHKA-CLFYSBASSA-N 0 0 327.380 2.869 10 10 EFCERN CC[C@@H](C)[C@H](C(=O)OC)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068443 1102317939 /nfs/dbraw/zinc/31/79/39/1102317939.db2.gz NJZHENJMLAOEQI-CXAGYDPISA-N 0 0 338.423 2.544 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC001167293576 1102340862 /nfs/dbraw/zinc/34/08/62/1102340862.db2.gz JTZSQWUHYGPRHW-UHFFFAOYSA-N 0 0 326.327 2.820 10 10 EFCERN COC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000073556285 1102401690 /nfs/dbraw/zinc/40/16/90/1102401690.db2.gz KOBIDUKEPONPBP-LBPRGKRZSA-N 0 0 344.411 2.784 10 10 EFCERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1O ZINC001648889830 1102550164 /nfs/dbraw/zinc/55/01/64/1102550164.db2.gz ODUGWHALFHTMOX-SNVBAGLBSA-N 0 0 344.323 2.563 10 10 EFCERN COc1ccc(O)c(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000840998546 1102711375 /nfs/dbraw/zinc/71/13/75/1102711375.db2.gz JJPPEJYGLIQYKG-MRXNPFEDSA-N 0 0 329.396 2.967 10 10 EFCERN COC(=O)c1cccc2c1OCCN(Cc1ccc(N(C)C)cc1)C2 ZINC001660423076 1102756655 /nfs/dbraw/zinc/75/66/55/1102756655.db2.gz ZBCFMMPIIOYYDA-UHFFFAOYSA-N 0 0 340.423 2.934 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncc(-c2ccccc2)cn1 ZINC000588466641 1102758044 /nfs/dbraw/zinc/75/80/44/1102758044.db2.gz MZZKJWPVXYWEAH-CLFYSBASSA-N 0 0 347.374 2.884 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@@H](C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000905458530 1103228359 /nfs/dbraw/zinc/22/83/59/1103228359.db2.gz JEYCMRLKYTYKTQ-KWQFWETISA-N 0 0 344.198 2.570 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccccc2SC)c1 ZINC001126629349 1103452631 /nfs/dbraw/zinc/45/26/31/1103452631.db2.gz JHETWOMIJOGGHE-CMDGGOBGSA-N 0 0 341.436 2.839 10 10 EFCERN C[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737324 1103572707 /nfs/dbraw/zinc/57/27/07/1103572707.db2.gz GSGVNLYCAFUJMF-CQSZACIVSA-N 0 0 341.407 2.940 10 10 EFCERN COc1cccc(C(C)=CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784053463 1104057264 /nfs/dbraw/zinc/05/72/64/1104057264.db2.gz FNQBNUDKYQMZMT-WQLSENKSSA-N 0 0 342.347 2.936 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000780967041 1104292446 /nfs/dbraw/zinc/29/24/46/1104292446.db2.gz DALCTUDYPGBCKR-ZDUSSCGKSA-N 0 0 349.427 2.990 10 10 EFCERN Cc1cc(CC(=O)NCc2cc(=O)cc[nH]2)c(C)n1-c1ccccc1 ZINC001625976060 1104512777 /nfs/dbraw/zinc/51/27/77/1104512777.db2.gz GTSBPNBCQUFRJY-UHFFFAOYSA-N 0 0 335.407 2.641 10 10 EFCERN CC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001664903872 1104600076 /nfs/dbraw/zinc/60/00/76/1104600076.db2.gz LXVOGIHEUGDPPF-UHFFFAOYSA-N 0 0 339.800 2.727 10 10 EFCERN CC(=O)N(C)c1ccc(NC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001672485792 1105842287 /nfs/dbraw/zinc/84/22/87/1105842287.db2.gz KZLVLUJZVSLCMH-UHFFFAOYSA-N 0 0 348.790 2.745 10 10 EFCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C2CC2)O1 ZINC000897613968 1105960454 /nfs/dbraw/zinc/96/04/54/1105960454.db2.gz FPPPURREAKZXJR-OTYXRUKQSA-N 0 0 333.409 2.952 10 10 EFCERN CCC[C@]1(CO)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897787569 1106096536 /nfs/dbraw/zinc/09/65/36/1106096536.db2.gz ORULAHRZXCYEIQ-KRWDZBQOSA-N 0 0 335.425 2.937 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)C12CCCC2 ZINC000897843277 1106115935 /nfs/dbraw/zinc/11/59/35/1106115935.db2.gz SGZIRRYJZDYSJZ-HNNXBMFYSA-N 0 0 333.409 2.832 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](O)C12CCCC2 ZINC000897843278 1106116067 /nfs/dbraw/zinc/11/60/67/1106116067.db2.gz SGZIRRYJZDYSJZ-OAHLLOKOSA-N 0 0 333.409 2.832 10 10 EFCERN CC(=O)N(C)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001674021030 1106123336 /nfs/dbraw/zinc/12/33/36/1106123336.db2.gz INAQKHURKZTYKB-UHFFFAOYSA-N 0 0 331.347 2.836 10 10 EFCERN CO[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897960852 1106168540 /nfs/dbraw/zinc/16/85/40/1106168540.db2.gz DKNAKQYEPNVMCJ-GJZGRUSLSA-N 0 0 333.409 3.000 10 10 EFCERN C[C@@H](CO)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000898277457 1106301271 /nfs/dbraw/zinc/30/12/71/1106301271.db2.gz NJLMQBHDYZXTNS-JTQLQIEISA-N 0 0 335.425 2.793 10 10 EFCERN Cc1cc(CNC(=O)NC[C@@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC001675116061 1106303121 /nfs/dbraw/zinc/30/31/21/1106303121.db2.gz YFSOJPMHCXJMAF-GOSISDBHSA-N 0 0 327.428 2.664 10 10 EFCERN Cc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC001675249130 1106324322 /nfs/dbraw/zinc/32/43/22/1106324322.db2.gz QFRAAVJVXZEZHZ-UHFFFAOYSA-N 0 0 333.319 2.747 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(O)Cc3ccccc3)C2)cc1 ZINC000904198075 1107710545 /nfs/dbraw/zinc/71/05/45/1107710545.db2.gz RYKCSGKNWSQLAA-INIZCTEOSA-N 0 0 341.411 2.875 10 10 EFCERN COc1ccccc1CONC(=O)NCc1cccc(Cl)c1O ZINC001680562197 1107939111 /nfs/dbraw/zinc/93/91/11/1107939111.db2.gz IOQAJHQLCUASCJ-UHFFFAOYSA-N 0 0 336.775 2.985 10 10 EFCERN CO[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001681617638 1108363456 /nfs/dbraw/zinc/36/34/56/1108363456.db2.gz IRGLZMJGWQXQRI-FUHWJXTLSA-N 0 0 331.460 2.996 10 10 EFCERN CCOC(=O)CN1c2ccccc2/C(=C/c2oc(C)nc2C)C1=O ZINC000905074205 1108396596 /nfs/dbraw/zinc/39/65/96/1108396596.db2.gz NRGGUCRVJMBUIE-ZROIWOOFSA-N 0 0 326.352 2.742 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001681851735 1108452976 /nfs/dbraw/zinc/45/29/76/1108452976.db2.gz JTWUJQBJSHDLLZ-NVXWUHKLSA-N 0 0 331.460 2.853 10 10 EFCERN CCC(=O)NCCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001682058725 1108545657 /nfs/dbraw/zinc/54/56/57/1108545657.db2.gz UTTSKLWTUNRWPG-LBPRGKRZSA-N 0 0 347.419 2.664 10 10 EFCERN Cc1nnsc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001682775942 1108643461 /nfs/dbraw/zinc/64/34/61/1108643461.db2.gz GHMBFGYVVZASOY-UHFFFAOYSA-N 0 0 345.472 2.788 10 10 EFCERN Cc1noc([C@H](C)N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000898437916 1108942134 /nfs/dbraw/zinc/94/21/34/1108942134.db2.gz ACZQWVHTCZQTBZ-ZETCQYMHSA-N 0 0 333.369 2.837 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]23C[C@H]2COC32CCC2)c1 ZINC000898686338 1109056006 /nfs/dbraw/zinc/05/60/06/1109056006.db2.gz PKWFLLATIAAXIP-ZJNRKIDTSA-N 0 0 346.427 2.720 10 10 EFCERN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898808036 1109089479 /nfs/dbraw/zinc/08/94/79/1109089479.db2.gz JFYALKGXLSOYSZ-ONGXEEELSA-N 0 0 349.408 2.726 10 10 EFCERN Cc1cc(C(=O)NCC(C)(C)n2cccn2)c(C)n1-c1ccccn1 ZINC000898919306 1109135838 /nfs/dbraw/zinc/13/58/38/1109135838.db2.gz AYYPSZKMNSJEDD-UHFFFAOYSA-N 0 0 337.427 2.851 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](CCF)C1 ZINC000899141700 1109218203 /nfs/dbraw/zinc/21/82/03/1109218203.db2.gz GDXBTJIKOPAZRW-JTQLQIEISA-N 0 0 325.361 2.513 10 10 EFCERN O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc2cc(O)c(O)cc2s1 ZINC000899194111 1109239177 /nfs/dbraw/zinc/23/91/77/1109239177.db2.gz XVYXCTCSSNTHQG-NURSFMCSSA-N 0 0 333.409 3.000 10 10 EFCERN O=C(NCC[C@H](O)C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899189343 1109242229 /nfs/dbraw/zinc/24/22/29/1109242229.db2.gz YDBISOZYFOGBMO-LBPRGKRZSA-N 0 0 335.425 2.984 10 10 EFCERN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)C1=CC(=O)CS1 ZINC000899456677 1109338802 /nfs/dbraw/zinc/33/88/02/1109338802.db2.gz RBNWKCBNQNOYBS-ZDUSSCGKSA-N 0 0 325.430 2.549 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899624726 1109416963 /nfs/dbraw/zinc/41/69/63/1109416963.db2.gz KWLCLFGSLRMSTJ-IINYFYTJSA-N 0 0 333.409 2.954 10 10 EFCERN Nc1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000237978785 1112819222 /nfs/dbraw/zinc/81/92/22/1112819222.db2.gz UDNFKYAKSGNDNC-UHFFFAOYSA-N 0 0 329.425 2.578 10 10 EFCERN Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1ccc(F)cc1 ZINC000182733997 1118647172 /nfs/dbraw/zinc/64/71/72/1118647172.db2.gz VFRXMGUMMXWLDD-UHFFFAOYSA-N 0 0 341.390 2.645 10 10 EFCERN COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000182823355 1118663047 /nfs/dbraw/zinc/66/30/47/1118663047.db2.gz LXQKZEMYWCRPPA-FQEVSTJZSA-N 0 0 344.455 2.920 10 10 EFCERN CC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000185043452 1119689584 /nfs/dbraw/zinc/68/95/84/1119689584.db2.gz SSAUIQPWCPGDSQ-MRXNPFEDSA-N 0 0 346.500 2.908 10 10 EFCERN CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000185089782 1119719334 /nfs/dbraw/zinc/71/93/34/1119719334.db2.gz MSENBWHOFQIMGP-HNNXBMFYSA-N 0 0 332.473 2.566 10 10 EFCERN Cc1ccccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055106949 214273798 /nfs/dbraw/zinc/27/37/98/214273798.db2.gz WCOQRDWGZCNLBQ-LBPRGKRZSA-N 0 0 348.424 2.563 10 10 EFCERN COc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1F ZINC000427742541 536648328 /nfs/dbraw/zinc/64/83/28/536648328.db2.gz PSJFWMJEEMSQRV-UHFFFAOYSA-N 0 0 328.347 2.840 10 10 EFCERN CCN(C)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000058154555 214483399 /nfs/dbraw/zinc/48/33/99/214483399.db2.gz GGMGBNLSMVPEIK-UHFFFAOYSA-N 0 0 325.368 2.726 10 10 EFCERN C[C@H](OC(=O)/C=C\c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 ZINC000098055639 219075438 /nfs/dbraw/zinc/07/54/38/219075438.db2.gz DWXRJAIJWQDFQV-WWRUEGTHSA-N 0 0 342.439 2.636 10 10 EFCERN CCc1ccc(S(=O)(=O)NCc2cccc(OC)c2O)s1 ZINC000161119291 529698716 /nfs/dbraw/zinc/69/87/16/529698716.db2.gz XFQUYVKVAWLFCZ-UHFFFAOYSA-N 0 0 327.427 2.503 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171619435 529988760 /nfs/dbraw/zinc/98/87/60/529988760.db2.gz SSKDGZBWDNETBO-QGZVFWFLSA-N 0 0 331.460 2.997 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3csc(C)n3)CC2)cc1 ZINC000065540129 214953319 /nfs/dbraw/zinc/95/33/19/214953319.db2.gz OZHINFKMTRLFMG-UHFFFAOYSA-N 0 0 331.441 2.813 10 10 EFCERN O=C(COc1ccccc1)Nc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000004016323 210100276 /nfs/dbraw/zinc/10/02/76/210100276.db2.gz WACUBTMQMHZVDF-UHFFFAOYSA-N 0 0 343.770 2.585 10 10 EFCERN O=C(C[C@H]1CCOc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000156628308 238983092 /nfs/dbraw/zinc/98/30/92/238983092.db2.gz XOZLUXBSWTXQEL-CQSZACIVSA-N 0 0 327.380 2.713 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000280608774 283708260 /nfs/dbraw/zinc/70/82/60/283708260.db2.gz YEXUMRQXNFWTEW-JKNJVXJCSA-N 0 0 334.372 2.786 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1cccc(C)c1 ZINC000177443160 239373757 /nfs/dbraw/zinc/37/37/57/239373757.db2.gz APAWENSDDBBOSQ-INIZCTEOSA-N 0 0 333.453 2.672 10 10 EFCERN Cc1ccc(C)c(N2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193137885 240087359 /nfs/dbraw/zinc/08/73/59/240087359.db2.gz DLLHSNCKFDIZKQ-UHFFFAOYSA-N 0 0 326.396 2.677 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000193946295 240132035 /nfs/dbraw/zinc/13/20/35/240132035.db2.gz RZOURNDZOXBGMI-KRWDZBQOSA-N 0 0 338.407 2.655 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249184857 240299119 /nfs/dbraw/zinc/29/91/19/240299119.db2.gz NXDMNZFNPJIISK-KSZLIROESA-N 0 0 331.460 2.852 10 10 EFCERN CCOCc1nc([C@H](C)NCc2cc(Cl)cc(OC)c2O)no1 ZINC000290939275 241023678 /nfs/dbraw/zinc/02/36/78/241023678.db2.gz PSHHWBWKZXTIBN-VIFPVBQESA-N 0 0 341.795 2.825 10 10 EFCERN C[C@]1(F)CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000296456259 241087123 /nfs/dbraw/zinc/08/71/23/241087123.db2.gz VEHDNNBYANDUFJ-SFHVURJKSA-N 0 0 335.423 2.557 10 10 EFCERN O=C1NCCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295517343 241054832 /nfs/dbraw/zinc/05/48/32/241054832.db2.gz ZQBXYHBUPJNNKL-UHFFFAOYSA-N 0 0 341.814 2.564 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccc(F)cc1 ZINC000299070901 241165171 /nfs/dbraw/zinc/16/51/71/241165171.db2.gz KKPCLVRAANUBMN-LBPRGKRZSA-N 0 0 341.390 2.643 10 10 EFCERN O=[N+]([O-])c1cnc2ccc(NCCCSc3nccs3)nn21 ZINC000301886812 241188561 /nfs/dbraw/zinc/18/85/61/241188561.db2.gz QFOYKBZTEXQTHX-UHFFFAOYSA-N 0 0 336.402 2.688 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000363291407 242276321 /nfs/dbraw/zinc/27/63/21/242276321.db2.gz OHMPDNTYELBCEZ-KDURUIRLSA-N 0 0 343.471 2.996 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366152827 242343492 /nfs/dbraw/zinc/34/34/92/242343492.db2.gz YZNQZRPFLTVEHA-OAHLLOKOSA-N 0 0 341.459 2.565 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000366643673 242360009 /nfs/dbraw/zinc/36/00/09/242360009.db2.gz QRZNLOKHKJIRES-ZTDBIZBLSA-N 0 0 346.383 2.644 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC12CCOCC2 ZINC000365343536 242322145 /nfs/dbraw/zinc/32/21/45/242322145.db2.gz JHMFTZQFSIEQLC-UHFFFAOYSA-N 0 0 327.428 2.527 10 10 EFCERN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1[O-] ZINC000367616383 242386662 /nfs/dbraw/zinc/38/66/62/242386662.db2.gz OBJCRSOPAXURDW-YOEHRIQHSA-N 0 0 332.423 2.975 10 10 EFCERN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC(C)(C)C)sc2n1 ZINC000010645013 211184524 /nfs/dbraw/zinc/18/45/24/211184524.db2.gz LFWWFPCUDIXVHD-UHFFFAOYSA-N 0 0 335.429 2.567 10 10 EFCERN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)N=C2CCCCCN12 ZINC000003212040 284778930 /nfs/dbraw/zinc/77/89/30/284778930.db2.gz YWKUFAQVUYHJHO-VKAVYKQESA-N 0 0 325.412 2.679 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000095446482 218391190 /nfs/dbraw/zinc/39/11/90/218391190.db2.gz OJXXCMIOQBCTSE-UHFFFAOYSA-N 0 0 341.367 2.768 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(O)c1O ZINC000095456920 218399125 /nfs/dbraw/zinc/39/91/25/218399125.db2.gz GXWQQSRIOZRXMR-LBPRGKRZSA-N 0 0 331.372 2.890 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4ccccc4CC3)cc2N1 ZINC000301704432 284830103 /nfs/dbraw/zinc/83/01/03/284830103.db2.gz VDNSGUALUDLEMT-UHFFFAOYSA-N 0 0 339.351 2.531 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](c4ccco4)C3)cc2N1 ZINC000370537285 284830238 /nfs/dbraw/zinc/83/02/38/284830238.db2.gz CPJNGCNGLJTLIO-SNVBAGLBSA-N 0 0 329.312 2.513 10 10 EFCERN CCCOC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006073053 210584925 /nfs/dbraw/zinc/58/49/25/210584925.db2.gz QGZBRNCJLJHUSI-XYOKQWHBSA-N 0 0 339.413 2.980 10 10 EFCERN COCCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000097315701 219011585 /nfs/dbraw/zinc/01/15/85/219011585.db2.gz HFKYIZSUGGANNN-SREVYHEPSA-N 0 0 327.340 2.683 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C)COCc2ccccc2)c1O ZINC000173346085 533501170 /nfs/dbraw/zinc/50/11/70/533501170.db2.gz OKPXJUXUVAHDPX-CQSZACIVSA-N 0 0 344.411 2.805 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C)[C@H]2COc3ccccc32)c1O ZINC000163266700 533501717 /nfs/dbraw/zinc/50/17/17/533501717.db2.gz BNMZCJWDHOCBDR-IUODEOHRSA-N 0 0 342.395 2.765 10 10 EFCERN Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Cl)cc3)=N2)cc1 ZINC000006817926 274760791 /nfs/dbraw/zinc/76/07/91/274760791.db2.gz PACFHHAKFYJTCP-OAHLLOKOSA-N 0 0 341.798 2.995 10 10 EFCERN O=C1c2ccc(Cl)c([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000003896047 275031067 /nfs/dbraw/zinc/03/10/67/275031067.db2.gz PEQIAOSDMRAEPJ-UHFFFAOYSA-N 0 0 332.655 2.932 10 10 EFCERN CCOC(=O)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O ZINC000000201071 276300219 /nfs/dbraw/zinc/30/02/19/276300219.db2.gz YWVJSIMALOJBQI-UHFFFAOYSA-N 0 0 332.315 2.582 10 10 biogenic EFCERN C[C@H]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000302061833 279762852 /nfs/dbraw/zinc/76/28/52/279762852.db2.gz UCJBOKUEEWQDMX-GTNSWQLSSA-N 0 0 331.372 2.942 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272501098 295027144 /nfs/dbraw/zinc/02/71/44/295027144.db2.gz LHTDGDOERJFYTH-RISCZKNCSA-N 0 0 338.404 2.845 10 10 EFCERN O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1 ZINC000095955834 473229465 /nfs/dbraw/zinc/22/94/65/473229465.db2.gz CSPPRLVTDKPKOK-GFCCVEGCSA-N 0 0 343.349 2.827 10 10 EFCERN CNC(=S)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000083882397 473372422 /nfs/dbraw/zinc/37/24/22/473372422.db2.gz XGKUIHWOTFXHOH-JTQLQIEISA-N 0 0 333.379 2.505 10 10 EFCERN Cc1occc1CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096298391 473372925 /nfs/dbraw/zinc/37/29/25/473372925.db2.gz GGRXBBKHXJUMNO-DAXSKMNVSA-N 0 0 326.396 2.754 10 10 EFCERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000125196057 473373328 /nfs/dbraw/zinc/37/33/28/473373328.db2.gz YISZCJZKVMLJDJ-CJNGLKHVSA-N 0 0 329.448 2.676 10 10 EFCERN CCN(CC)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000005848501 471523087 /nfs/dbraw/zinc/52/30/87/471523087.db2.gz PNADJBUVOYYXEJ-UHFFFAOYSA-N 0 0 325.364 2.715 10 10 EFCERN CN(C(=O)C(F)(F)F)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000005965872 471528218 /nfs/dbraw/zinc/52/82/18/471528218.db2.gz SJQUFRFGQDVTQZ-UHFFFAOYSA-N 0 0 333.265 2.987 10 10 EFCERN COc1ccccc1/C=C1/SC(N2C[C@@H](C)O[C@@H](C)C2)=NC1=O ZINC000033618433 471985444 /nfs/dbraw/zinc/98/54/44/471985444.db2.gz WQZMBIHFPSSTOE-CTNOEMEISA-N 0 0 332.425 2.775 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CCNC(=O)C1CCCC1 ZINC000069458316 472348591 /nfs/dbraw/zinc/34/85/91/472348591.db2.gz HKEMLTCHQWZBDU-UHFFFAOYSA-N 0 0 332.444 2.827 10 10 EFCERN COc1ccc(N2CCC(NC(=O)CCOCC(C)C)CC2)cc1 ZINC000069563546 472370431 /nfs/dbraw/zinc/37/04/31/472370431.db2.gz HRNOGHCBBNWMBJ-UHFFFAOYSA-N 0 0 334.460 2.843 10 10 EFCERN Cc1cc(CNC(=O)[C@H](C)NC(=O)c2cccs2)ccc1N(C)C ZINC000069696621 472398706 /nfs/dbraw/zinc/39/87/06/472398706.db2.gz VXWRCYSQILJFPW-ZDUSSCGKSA-N 0 0 345.468 2.557 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCOCC[C@@H]2C)cc1F ZINC000089267720 472403501 /nfs/dbraw/zinc/40/35/01/472403501.db2.gz RDCTXIWTDYQGDK-AWEZNQCLSA-N 0 0 337.439 2.992 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cnn2c1CCCC2 ZINC000128332564 472437333 /nfs/dbraw/zinc/43/73/33/472437333.db2.gz YWJUEMDULBAMSQ-UHFFFAOYSA-N 0 0 325.412 2.734 10 10 EFCERN Cc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c(O)c1O ZINC000097102698 472447244 /nfs/dbraw/zinc/44/72/44/472447244.db2.gz KPRHTBZHTIVYFX-UHFFFAOYSA-N 0 0 346.364 2.527 10 10 EFCERN CCN(c1cc(O)ccc1C)S(=O)(=O)c1cccc2nsnc21 ZINC000032922457 472481267 /nfs/dbraw/zinc/48/12/67/472481267.db2.gz FAVINRRTEYIEKJ-UHFFFAOYSA-N 0 0 349.437 2.921 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000101236062 472531283 /nfs/dbraw/zinc/53/12/83/472531283.db2.gz WUWJXOXCYHLXLJ-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN CSCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000046405377 472555612 /nfs/dbraw/zinc/55/56/12/472555612.db2.gz ZALMZCMDPUGYMH-UHFFFAOYSA-N 0 0 348.390 2.521 10 10 EFCERN COc1cccc(CN2CCN(C(=O)NC3CCCCC3)CC2)c1O ZINC000129749803 472562800 /nfs/dbraw/zinc/56/28/00/472562800.db2.gz ACMXAPIIRTVRTJ-UHFFFAOYSA-N 0 0 347.459 2.561 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000071834956 472579010 /nfs/dbraw/zinc/57/90/10/472579010.db2.gz KVABGWBKXJQSIB-DLBZAZTESA-N 0 0 326.396 2.741 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2COc3ccccc32)cc1F ZINC000058574458 472583751 /nfs/dbraw/zinc/58/37/51/472583751.db2.gz DPCGYRGADHDIJJ-HNNXBMFYSA-N 0 0 329.375 2.825 10 10 EFCERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000090223275 472609492 /nfs/dbraw/zinc/60/94/92/472609492.db2.gz SECBMYOVMLGNES-RDTXWAMCSA-N 0 0 341.459 2.609 10 10 EFCERN CCCO[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000130636345 472618810 /nfs/dbraw/zinc/61/88/10/472618810.db2.gz XTWJOYNYLJATCD-LBPRGKRZSA-N 0 0 349.387 2.711 10 10 EFCERN O=C(Cc1ccccc1F)Nc1ccc(O)c(CN2CCOCC2)c1 ZINC000071916748 472620419 /nfs/dbraw/zinc/62/04/19/472620419.db2.gz GILSJONKQRNORH-UHFFFAOYSA-N 0 0 344.386 2.545 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)CO ZINC000077824734 472625130 /nfs/dbraw/zinc/62/51/30/472625130.db2.gz BBBDDDSKHNIUIF-HZPDHXFCSA-N 0 0 333.476 2.739 10 10 EFCERN COC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413545 472631546 /nfs/dbraw/zinc/63/15/46/472631546.db2.gz SLANFLZSMXZVDI-GFCCVEGCSA-N 0 0 332.366 2.926 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1ccccc1C ZINC000131032091 472645280 /nfs/dbraw/zinc/64/52/80/472645280.db2.gz NNGKGYFKTUVGCY-MRXNPFEDSA-N 0 0 339.439 2.753 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CNC(=O)/C=C\c1ccco1 ZINC000103860446 472647639 /nfs/dbraw/zinc/64/76/39/472647639.db2.gz USMLKNAIYBABJT-KTKRTIGZSA-N 0 0 342.395 2.553 10 10 EFCERN C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000120624405 472719384 /nfs/dbraw/zinc/71/93/84/472719384.db2.gz ZELVSZBTMMVMHK-GHMZBOCLSA-N 0 0 333.259 2.586 10 10 EFCERN COc1ccc(N(C)C[C@H](O)COCc2ccccc2)c(OC)c1 ZINC000132261151 472725053 /nfs/dbraw/zinc/72/50/53/472725053.db2.gz AZRKFTOXANBSIO-INIZCTEOSA-N 0 0 331.412 2.718 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000156737155 472746858 /nfs/dbraw/zinc/74/68/58/472746858.db2.gz APQXTCMTYNJTGI-OLZOCXBDSA-N 0 0 333.334 2.838 10 10 EFCERN C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCO1 ZINC000065542140 472970677 /nfs/dbraw/zinc/97/06/77/472970677.db2.gz IBVJLDONDMDGRY-CZUORRHYSA-N 0 0 345.468 2.863 10 10 EFCERN C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCO1 ZINC000065542131 472971070 /nfs/dbraw/zinc/97/10/70/472971070.db2.gz IBVJLDONDMDGRY-BBRMVZONSA-N 0 0 345.468 2.863 10 10 EFCERN CCOc1cccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1O ZINC000122576095 473032946 /nfs/dbraw/zinc/03/29/46/473032946.db2.gz AJNWRTWDCLBLRW-QGZVFWFLSA-N 0 0 345.443 2.505 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4ccc(F)cc4C3)cc2N1 ZINC000135551011 473092126 /nfs/dbraw/zinc/09/21/26/473092126.db2.gz UJAJKPLKFWQEMU-UHFFFAOYSA-N 0 0 343.314 2.628 10 10 EFCERN Nc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000160392770 473117044 /nfs/dbraw/zinc/11/70/44/473117044.db2.gz HAMLEKFTNUGGSW-HNNXBMFYSA-N 0 0 329.787 2.914 10 10 EFCERN C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000093644118 473128871 /nfs/dbraw/zinc/12/88/71/473128871.db2.gz AWPAHHQMUUPKNL-GWCFXTLKSA-N 0 0 327.812 2.868 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000066698229 473141700 /nfs/dbraw/zinc/14/17/00/473141700.db2.gz QQVMTALBTPYBQG-UHFFFAOYSA-N 0 0 343.427 2.819 10 10 EFCERN CNc1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000137263798 473200886 /nfs/dbraw/zinc/20/08/86/473200886.db2.gz VGAWBRIRWRXQOT-UHFFFAOYSA-N 0 0 346.456 2.546 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000151841854 473498974 /nfs/dbraw/zinc/49/89/74/473498974.db2.gz IUCJKWJTEAGKNB-QFBILLFUSA-N 0 0 331.460 2.589 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1COc2ccccc21 ZINC000126284060 473505227 /nfs/dbraw/zinc/50/52/27/473505227.db2.gz HLKSFQVWCQNCMJ-SFHVURJKSA-N 0 0 335.407 2.996 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000185762185 473507694 /nfs/dbraw/zinc/50/76/94/473507694.db2.gz PFRGIDNUPNKZSD-PBHICJAKSA-N 0 0 327.380 2.826 10 10 EFCERN COC[C@@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000178715527 473547721 /nfs/dbraw/zinc/54/77/21/473547721.db2.gz JWEHNWICNDMYJI-AWEZNQCLSA-N 0 0 335.425 2.533 10 10 EFCERN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000185992358 473567253 /nfs/dbraw/zinc/56/72/53/473567253.db2.gz VDASFGCHVKLJRM-OCCSQVGLSA-N 0 0 345.422 2.683 10 10 EFCERN Cc1cc(C(=O)OC[C@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1 ZINC000170645786 473573629 /nfs/dbraw/zinc/57/36/29/473573629.db2.gz PGGISUVOMLFXGG-MRXNPFEDSA-N 0 0 341.411 2.794 10 10 EFCERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000170677922 473583694 /nfs/dbraw/zinc/58/36/94/473583694.db2.gz IDTSFPWVORQKTH-HNNXBMFYSA-N 0 0 340.423 2.845 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1 ZINC000179496303 473691569 /nfs/dbraw/zinc/69/15/69/473691569.db2.gz KPHBAXIXRYAROY-UHFFFAOYSA-N 0 0 338.367 2.852 10 10 EFCERN COC[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024071 473728439 /nfs/dbraw/zinc/72/84/39/473728439.db2.gz ZWTKCHFORDPWHW-OLZOCXBDSA-N 0 0 342.386 2.656 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118124 473803990 /nfs/dbraw/zinc/80/39/90/473803990.db2.gz AITQRKYRVMSJLX-QGZVFWFLSA-N 0 0 329.448 2.533 10 10 EFCERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(O)c1O ZINC000187062280 473810491 /nfs/dbraw/zinc/81/04/91/473810491.db2.gz FMNIMMKFAURSSM-UHFFFAOYSA-N 0 0 342.326 2.864 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC000187403851 473867917 /nfs/dbraw/zinc/86/79/17/473867917.db2.gz AQLKJCNUPJAFKX-QAPCUYQASA-N 0 0 331.460 2.853 10 10 EFCERN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187498141 473878585 /nfs/dbraw/zinc/87/85/85/473878585.db2.gz FKNYYLDDJXLUNC-CVEARBPZSA-N 0 0 334.435 2.695 10 10 EFCERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187498121 473878945 /nfs/dbraw/zinc/87/89/45/473878945.db2.gz FKNYYLDDJXLUNC-HOTGVXAUSA-N 0 0 334.435 2.695 10 10 EFCERN CO[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1C ZINC000187564883 473885901 /nfs/dbraw/zinc/88/59/01/473885901.db2.gz WFLCUBIEKSBCND-QAPCUYQASA-N 0 0 329.444 2.629 10 10 EFCERN COc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1F ZINC000180551202 473902797 /nfs/dbraw/zinc/90/27/97/473902797.db2.gz YOACWEYYEBVGFF-UHFFFAOYSA-N 0 0 340.402 2.804 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1[O-] ZINC000187735134 473910571 /nfs/dbraw/zinc/91/05/71/473910571.db2.gz MKORIRZQMNTYED-RYUDHWBXSA-N 0 0 336.386 2.724 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCc2cccnc21 ZINC000194530026 473912309 /nfs/dbraw/zinc/91/23/09/473912309.db2.gz DUUDRSQZABLGHA-MRXNPFEDSA-N 0 0 337.423 2.993 10 10 EFCERN Cc1nccnc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000187796892 473922183 /nfs/dbraw/zinc/92/21/83/473922183.db2.gz HHYWCXIUZMUQBK-AWEZNQCLSA-N 0 0 330.407 2.612 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180758748 473959060 /nfs/dbraw/zinc/95/90/60/473959060.db2.gz RYGGOZZJTNGCGK-LOWQCSRCSA-N 0 0 341.411 2.825 10 10 EFCERN CC(C)c1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000180824360 473973859 /nfs/dbraw/zinc/97/38/59/473973859.db2.gz DRRGRYVJPLRCIN-CFNZNRNTSA-N 0 0 343.383 2.981 10 10 EFCERN CN1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000180963672 473994074 /nfs/dbraw/zinc/99/40/74/473994074.db2.gz RSWVBRPNORZZLN-LOWQCSRCSA-N 0 0 338.407 2.851 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(c2cccs2)CC1 ZINC000181181901 474013691 /nfs/dbraw/zinc/01/36/91/474013691.db2.gz SWEWRMIAUPQREG-GQCTYLIASA-N 0 0 344.436 2.958 10 10 EFCERN CCn1cc(-c2nn(C)cc2C(=O)N2CC3(CC3)c3ccccc32)cn1 ZINC000274976722 474027200 /nfs/dbraw/zinc/02/72/00/474027200.db2.gz ABEPZCDMPKPYJB-UHFFFAOYSA-N 0 0 347.422 2.996 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274980969 474028331 /nfs/dbraw/zinc/02/83/31/474028331.db2.gz XMQAKVSINLGORC-UHFFFAOYSA-N 0 0 333.819 2.567 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000188468031 474103911 /nfs/dbraw/zinc/10/39/11/474103911.db2.gz RSPDBXYRXNUCIG-KRWDZBQOSA-N 0 0 330.432 2.798 10 10 EFCERN CCCN(CCC)c1ccc(CN2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000282784952 474194943 /nfs/dbraw/zinc/19/49/43/474194943.db2.gz QPHWOBAOUFKDBJ-GOSISDBHSA-N 0 0 338.517 2.932 10 10 EFCERN Cc1ccc(C(=O)NC2CCN(c3cccs3)CC2)c(O)c1O ZINC000182590454 474211911 /nfs/dbraw/zinc/21/19/11/474211911.db2.gz REYCGSMKGMIABS-UHFFFAOYSA-N 0 0 332.425 2.867 10 10 EFCERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000188848093 474216718 /nfs/dbraw/zinc/21/67/18/474216718.db2.gz YGFMNWJBYPQWQJ-CQSZACIVSA-N 0 0 343.402 2.584 10 10 EFCERN CCC1(CO)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000270699767 474225959 /nfs/dbraw/zinc/22/59/59/474225959.db2.gz HVBGRSBOZSZFHJ-FNORWQNLSA-N 0 0 348.399 2.770 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230213373 474258877 /nfs/dbraw/zinc/25/88/77/474258877.db2.gz CJTPZBBMOCBMGT-ZKVFWIFDSA-N 0 0 346.383 2.929 10 10 EFCERN COc1cc(N(C)Cc2ncnn2C(C)(C)C)cc(OC)c1OC ZINC000283027296 474276501 /nfs/dbraw/zinc/27/65/01/474276501.db2.gz HJRLUBUFYCPKLT-UHFFFAOYSA-N 0 0 334.420 2.695 10 10 EFCERN C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175674433 474279269 /nfs/dbraw/zinc/27/92/69/474279269.db2.gz XOOPQCXKIRGFHG-LSDHHAIUSA-N 0 0 349.450 2.992 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000275798721 474322919 /nfs/dbraw/zinc/32/29/19/474322919.db2.gz CWFXVJWSRAISQS-RNHHIQEPSA-N 0 0 334.372 2.642 10 10 EFCERN COCc1csc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000183173850 474343518 /nfs/dbraw/zinc/34/35/18/474343518.db2.gz FZYRIBFINMETLJ-UHFFFAOYSA-N 0 0 348.428 2.786 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cnn(C)c1 ZINC000266644971 474437502 /nfs/dbraw/zinc/43/75/02/474437502.db2.gz FOCVARODVNKCMI-UHFFFAOYSA-N 0 0 343.475 2.649 10 10 EFCERN CC1(C)SC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000283587780 474442313 /nfs/dbraw/zinc/44/23/13/474442313.db2.gz LKPAUHOILSXCEG-JTQLQIEISA-N 0 0 345.262 2.848 10 10 EFCERN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2nccn2c1 ZINC000625916191 480102697 /nfs/dbraw/zinc/10/26/97/480102697.db2.gz MPNJXQQGZYKSOE-UHFFFAOYSA-N 0 0 336.395 2.748 10 10 EFCERN Cc1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000266729746 474463045 /nfs/dbraw/zinc/46/30/45/474463045.db2.gz CMWINTMDGMANID-UHFFFAOYSA-N 0 0 331.420 2.564 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CCCCC1 ZINC000283687474 474468241 /nfs/dbraw/zinc/46/82/41/474468241.db2.gz XBDKACXHQPFDJT-UHFFFAOYSA-N 0 0 332.444 2.827 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1cc(C)ccc1O ZINC000184129850 474475687 /nfs/dbraw/zinc/47/56/87/474475687.db2.gz GFKCQYZHURTTTN-UHFFFAOYSA-N 0 0 326.396 2.848 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1cccc(C)c1O ZINC000184129632 474476349 /nfs/dbraw/zinc/47/63/49/474476349.db2.gz QOTKVPYHFRTZBZ-UHFFFAOYSA-N 0 0 326.396 2.848 10 10 EFCERN Cc1cc(C(=O)N(C)[C@@H](CO)CC(C)C)c(C)n1-c1ccccn1 ZINC000184575554 474551994 /nfs/dbraw/zinc/55/19/94/474551994.db2.gz VMTOBAVDPDSWQY-MRXNPFEDSA-N 0 0 329.444 2.968 10 10 EFCERN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276346 474564362 /nfs/dbraw/zinc/56/43/62/474564362.db2.gz WRZPGELHXCWUGE-QWRGUYRKSA-N 0 0 349.387 2.510 10 10 EFCERN CCOC(=O)[C@@H](NCc1cc(OCC)ccc1O)c1cccc(O)c1 ZINC000276698083 474568809 /nfs/dbraw/zinc/56/88/09/474568809.db2.gz AUMYEAVITFFOHB-SFHVURJKSA-N 0 0 345.395 2.891 10 10 EFCERN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000276759483 474570280 /nfs/dbraw/zinc/57/02/80/474570280.db2.gz MNPOMMXMCHFRHP-QGZVFWFLSA-N 0 0 332.375 2.601 10 10 EFCERN Cc1[nH]nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000267056147 474577246 /nfs/dbraw/zinc/57/72/46/474577246.db2.gz RWNGJYLZJRIXBA-OAHLLOKOSA-N 0 0 329.400 2.554 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(CCOc2ccccc2)n1C ZINC000290548069 474577239 /nfs/dbraw/zinc/57/72/39/474577239.db2.gz VHYWMWRVJFVWMT-UHFFFAOYSA-N 0 0 338.411 2.779 10 10 EFCERN CO[C@H](C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000290977273 474589183 /nfs/dbraw/zinc/58/91/83/474589183.db2.gz CLOFBDOHKHABMT-IIAWOOMASA-N 0 0 336.432 2.506 10 10 EFCERN C[C@H]1COCC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277860181 474597687 /nfs/dbraw/zinc/59/76/87/474597687.db2.gz ZGQMKRGSNVOJAK-KSSFIOAISA-N 0 0 331.460 2.852 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000291485178 474604807 /nfs/dbraw/zinc/60/48/07/474604807.db2.gz RSNDZAAXFCOXDX-MRXNPFEDSA-N 0 0 334.460 2.531 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000291485175 474605378 /nfs/dbraw/zinc/60/53/78/474605378.db2.gz RSNDZAAXFCOXDX-INIZCTEOSA-N 0 0 334.460 2.531 10 10 EFCERN CC[C@H]1C[C@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272868358 474629127 /nfs/dbraw/zinc/62/91/27/474629127.db2.gz GDKBDBVUIHYZLG-AEFFLSMTSA-N 0 0 346.471 2.939 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cnnn1Cc1ccccc1 ZINC000292892326 474699538 /nfs/dbraw/zinc/69/95/38/474699538.db2.gz ZCPPQPNQAUEVCH-UHFFFAOYSA-N 0 0 349.438 2.791 10 10 EFCERN CCOc1ccc(N(CC)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905384 474702812 /nfs/dbraw/zinc/70/28/12/474702812.db2.gz DCHRBSSGGLTWCR-HNNXBMFYSA-N 0 0 340.489 2.583 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1F ZINC000267915516 474707379 /nfs/dbraw/zinc/70/73/79/474707379.db2.gz DDPVOLQAUAJCPF-HWWDLCQESA-N 0 0 332.419 2.919 10 10 EFCERN CN1CCCc2cc(C[NH2+]Cc3cnnn3Cc3ccccc3)ccc21 ZINC000291852331 474718776 /nfs/dbraw/zinc/71/87/76/474718776.db2.gz DNOJUHKHPBCGKM-UHFFFAOYSA-N 0 0 347.466 2.999 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncn(C2CCCCC2)n1 ZINC000273151528 474745548 /nfs/dbraw/zinc/74/55/48/474745548.db2.gz HVRWKSRZUYOPLB-VQHVLOKHSA-N 0 0 328.372 2.846 10 10 EFCERN CCOC(=O)c1csc(CN2CCOc3cc(N(C)C)ccc32)n1 ZINC000293026666 474773927 /nfs/dbraw/zinc/77/39/27/474773927.db2.gz VTTJYAVFNKHMSM-UHFFFAOYSA-N 0 0 347.440 2.785 10 10 EFCERN Cc1ncccc1/C=C1\CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000255037530 474792547 /nfs/dbraw/zinc/79/25/47/474792547.db2.gz OFOWWUWZTPUVLW-UKTHLTGXSA-N 0 0 334.335 2.952 10 10 EFCERN C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273514738 474938727 /nfs/dbraw/zinc/93/87/27/474938727.db2.gz SHPBFQYDSFOHNG-QMMMGPOBSA-N 0 0 344.293 2.904 10 10 EFCERN CCCN(CCC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000279742868 474988861 /nfs/dbraw/zinc/98/88/61/474988861.db2.gz XNGGYXUBHLWTPJ-UHFFFAOYSA-N 0 0 338.517 2.980 10 10 EFCERN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273611254 474989256 /nfs/dbraw/zinc/98/92/56/474989256.db2.gz RJLPJGADMVRYHS-UHFFFAOYSA-N 0 0 341.411 2.627 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000293610923 475043729 /nfs/dbraw/zinc/04/37/29/475043729.db2.gz LTGIKKQISGSNLE-UHFFFAOYSA-N 0 0 342.842 2.919 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281027792 475065250 /nfs/dbraw/zinc/06/52/50/475065250.db2.gz ODWDPDMETUOING-SFHVURJKSA-N 0 0 341.459 2.923 10 10 EFCERN CCn1nnc(C)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000294607986 475075391 /nfs/dbraw/zinc/07/53/91/475075391.db2.gz MSADTQHUAOLGEN-UHFFFAOYSA-N 0 0 341.459 2.773 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000294633959 475075933 /nfs/dbraw/zinc/07/59/33/475075933.db2.gz JWPFARWAEGXLQL-MEDUHNTESA-N 0 0 343.826 2.842 10 10 EFCERN COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(O)c1 ZINC000294747341 475080529 /nfs/dbraw/zinc/08/05/29/475080529.db2.gz XIRBCOWCQLXMQZ-SFHVURJKSA-N 0 0 328.412 2.771 10 10 EFCERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000294941524 475093189 /nfs/dbraw/zinc/09/31/89/475093189.db2.gz LLJUJNHWDZRGCT-ZUZCIYMTSA-N 0 0 349.333 2.978 10 10 EFCERN CN(c1ccc(CN2C(=O)N[C@H](CF)C2=O)cc1)C1CCCCC1 ZINC000287168379 475095940 /nfs/dbraw/zinc/09/59/40/475095940.db2.gz AXMDKZAJAZDQOT-MRXNPFEDSA-N 0 0 333.407 2.845 10 10 EFCERN C[C@@H](CS(C)(=O)=O)N(Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000295233665 475114990 /nfs/dbraw/zinc/11/49/90/475114990.db2.gz DDWSLSYKXCERKR-VIFPVBQESA-N 0 0 335.828 2.582 10 10 EFCERN CN(c1ccc(CNc2cncc(C(N)=O)n2)cc1)C1CCCCC1 ZINC000301528160 476169496 /nfs/dbraw/zinc/16/94/96/476169496.db2.gz QPTJBGOZYPNFNY-UHFFFAOYSA-N 0 0 339.443 2.957 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000368629351 476360638 /nfs/dbraw/zinc/36/06/38/476360638.db2.gz ZHNYUQYIRAYUBI-HNNXBMFYSA-N 0 0 341.459 2.613 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC23CCOCC3)cc1 ZINC000373084706 476374363 /nfs/dbraw/zinc/37/43/63/476374363.db2.gz UGMCPRBFYMZDJC-UHFFFAOYSA-N 0 0 331.460 2.997 10 10 EFCERN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000373580231 476416610 /nfs/dbraw/zinc/41/66/10/476416610.db2.gz BVAVBGCADCMKDM-OLZOCXBDSA-N 0 0 327.808 2.588 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cc[nH]n3)ccc21 ZINC000351592913 476483777 /nfs/dbraw/zinc/48/37/77/476483777.db2.gz GQGHDPDOSGZLAG-UHFFFAOYSA-N 0 0 340.427 2.900 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377691698 476525814 /nfs/dbraw/zinc/52/58/14/476525814.db2.gz AUFLVAXSBXASKD-SOFGYWHQSA-N 0 0 334.372 2.786 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000364661045 476539350 /nfs/dbraw/zinc/53/93/50/476539350.db2.gz OZCWZTSMGSTEIQ-UHFFFAOYSA-N 0 0 326.327 2.917 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000370774876 476978576 /nfs/dbraw/zinc/97/85/76/476978576.db2.gz RPTITSRCCLSTLK-VGVVRCBHSA-N 0 0 344.327 2.506 10 10 EFCERN Cc1noc(C2CCC(NC(=O)N(C)Cc3ccccc3O)CC2)n1 ZINC000371131774 477142122 /nfs/dbraw/zinc/14/21/22/477142122.db2.gz CXXBZAXUXUDIKH-UHFFFAOYSA-N 0 0 344.415 2.951 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000371443190 477322150 /nfs/dbraw/zinc/32/21/50/477322150.db2.gz OIFHCXJJNIJDNA-KRWDZBQOSA-N 0 0 329.444 2.933 10 10 EFCERN Cc1noc(C2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)n1 ZINC000371581090 477395582 /nfs/dbraw/zinc/39/55/82/477395582.db2.gz FSOHGMZUZCTAEC-UHFFFAOYSA-N 0 0 331.372 2.554 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c(O)c1O ZINC000371677218 477438152 /nfs/dbraw/zinc/43/81/52/477438152.db2.gz RTQGGMXDYBCADO-HOCLYGCPSA-N 0 0 327.380 2.914 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367440006 477511520 /nfs/dbraw/zinc/51/15/20/477511520.db2.gz YXWKDIXNYTXYIG-OAHLLOKOSA-N 0 0 326.780 2.956 10 10 EFCERN COc1c(O)c(CNc2cccc3c2OCC[C@H]3O)ccc1[N+](=O)[O-] ZINC000377080343 477633085 /nfs/dbraw/zinc/63/30/85/477633085.db2.gz UKZDGNFLZOJOGZ-CQSZACIVSA-N 0 0 346.339 2.737 10 10 EFCERN CCn1ncc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000527925602 478573485 /nfs/dbraw/zinc/57/34/85/478573485.db2.gz VKEQEVKXBDSQCN-QMMMGPOBSA-N 0 0 343.200 2.756 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)c(O)c1 ZINC000529230322 479094035 /nfs/dbraw/zinc/09/40/35/479094035.db2.gz VJPZESVTUGYUQM-HNNXBMFYSA-N 0 0 344.411 2.711 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC23COC3)CCCC1 ZINC000615915650 479785734 /nfs/dbraw/zinc/78/57/34/479785734.db2.gz ANMDUKGMJXQXSC-UHFFFAOYSA-N 0 0 340.423 2.530 10 10 EFCERN COc1ccc(N(CC(C)C)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000667543136 481633257 /nfs/dbraw/zinc/63/32/57/481633257.db2.gz RBTQLFDMZPVXGA-UHFFFAOYSA-N 0 0 339.395 2.888 10 10 EFCERN CSc1cccnc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000649789031 482253138 /nfs/dbraw/zinc/25/31/38/482253138.db2.gz JULFYKJZJAUPLU-UHFFFAOYSA-N 0 0 329.425 2.909 10 10 EFCERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] ZINC000005743413 500831406 /nfs/dbraw/zinc/83/14/06/500831406.db2.gz YVWABAIMCMHTBR-IKKURHKOSA-N 0 0 332.320 2.830 10 10 EFCERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] ZINC000005743395 500836094 /nfs/dbraw/zinc/83/60/94/500836094.db2.gz YVWABAIMCMHTBR-PRFQISJJSA-N 0 0 332.320 2.830 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@H](CO)C2)cc1 ZINC000298173182 520899593 /nfs/dbraw/zinc/89/95/93/520899593.db2.gz FYVFHKSCZONDNK-IRXDYDNUSA-N 0 0 333.476 2.883 10 10 EFCERN CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000045158804 521735213 /nfs/dbraw/zinc/73/52/13/521735213.db2.gz BCFQMWLTNLYYBO-LUAWRHEFSA-N 0 0 340.495 2.866 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2CCC[C@H](CO)C2)c(C)n1-c1ccccn1 ZINC000298285095 524129898 /nfs/dbraw/zinc/12/98/98/524129898.db2.gz MDGUUWAIAZCHRZ-JKSUJKDBSA-N 0 0 327.428 2.770 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1nc2ccccc2o1 ZINC000222285170 524698023 /nfs/dbraw/zinc/69/80/23/524698023.db2.gz QPOUTZDBEVYLLZ-JLVNDZCYSA-N 0 0 338.363 3.000 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C(=O)OC)C2)cc1 ZINC000172555718 528301413 /nfs/dbraw/zinc/30/14/13/528301413.db2.gz WQRSUGMFGGXPAY-INIZCTEOSA-N 0 0 347.459 2.627 10 10 EFCERN CCOC[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000175050085 529030771 /nfs/dbraw/zinc/03/07/71/529030771.db2.gz DKZXHFFRXVAXRM-DYLGSBMWSA-N 0 0 334.372 2.644 10 10 EFCERN CC1(C)OCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298212992 534991300 /nfs/dbraw/zinc/99/13/00/534991300.db2.gz UWEJNCPKOAYUPK-WBVHZDCISA-N 0 0 348.443 2.650 10 10 EFCERN CC1(C)OCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000297908190 534993041 /nfs/dbraw/zinc/99/30/41/534993041.db2.gz TUINHEYBXVPJHB-NSHDSACASA-N 0 0 343.221 2.521 10 10 EFCERN CNC(=O)c1ccc(N[C@@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])c1 ZINC000301183520 536435010 /nfs/dbraw/zinc/43/50/10/536435010.db2.gz IPVXEHKGOKEACF-JTQLQIEISA-N 0 0 345.355 2.842 10 10 EFCERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863262 536699409 /nfs/dbraw/zinc/69/94/09/536699409.db2.gz QUCICMNQVOKIJG-OIISXLGYSA-N 0 0 337.391 2.502 10 10 EFCERN COc1cc(O)c(CNc2ccc(N3CCC3=O)cc2)cc1OC ZINC000281241900 536857499 /nfs/dbraw/zinc/85/74/99/536857499.db2.gz LVMSOYVZLORDPG-UHFFFAOYSA-N 0 0 328.368 2.758 10 10 EFCERN COc1ccccc1N1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000192993433 537062348 /nfs/dbraw/zinc/06/23/48/537062348.db2.gz NDEISJIFLWACJD-UHFFFAOYSA-N 0 0 342.395 2.505 10 10 EFCERN COc1cc(C)cc(CN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000754723432 575477316 /nfs/dbraw/zinc/47/73/16/575477316.db2.gz SGJOILAJIQHZTR-UHFFFAOYSA-N 0 0 346.471 2.934 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000755133361 575548477 /nfs/dbraw/zinc/54/84/77/575548477.db2.gz QKUPKBWDMBASSI-AWEZNQCLSA-N 0 0 347.484 2.858 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000755802584 575638072 /nfs/dbraw/zinc/63/80/72/575638072.db2.gz FAYNUUOIMZLHDD-UHFFFAOYSA-N 0 0 331.368 2.656 10 10 EFCERN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(-n2ccnn2)cc1 ZINC000756110256 575685316 /nfs/dbraw/zinc/68/53/16/575685316.db2.gz PBDCBKNVRQJMRC-CYBMUJFWSA-N 0 0 337.383 2.533 10 10 EFCERN O=C([O-])c1cccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000756299094 575713593 /nfs/dbraw/zinc/71/35/93/575713593.db2.gz QLAGIGVBYAODEJ-UHFFFAOYSA-N 0 0 340.423 2.554 10 10 EFCERN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000756337617 575719906 /nfs/dbraw/zinc/71/99/06/575719906.db2.gz HZPBAAJJUUGFJV-GOSISDBHSA-N 0 0 344.386 2.578 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000756350792 575721609 /nfs/dbraw/zinc/72/16/09/575721609.db2.gz FVSAHNZCPRKRQT-OCCSQVGLSA-N 0 0 343.379 2.669 10 10 EFCERN C[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000756400303 575731197 /nfs/dbraw/zinc/73/11/97/575731197.db2.gz JLOTVJHKFSRENK-QMMMGPOBSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448778 575741536 /nfs/dbraw/zinc/74/15/36/575741536.db2.gz FYDVGUNTEJWHEB-FWOIEVBISA-N 0 0 346.118 2.868 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000756848882 575792026 /nfs/dbraw/zinc/79/20/26/575792026.db2.gz RLKJGEGXHHORJR-CNRGFGOASA-N 0 0 331.412 2.919 10 10 EFCERN C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc(F)ccc1O ZINC000756866675 575794720 /nfs/dbraw/zinc/79/47/20/575794720.db2.gz AJAYQDOIPHFWSW-LBPRGKRZSA-N 0 0 346.406 2.960 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@H](C)CS(C)(=O)=O)cc1 ZINC000757974789 575857169 /nfs/dbraw/zinc/85/71/69/575857169.db2.gz OYXVJTGFVVUKOK-ZDUSSCGKSA-N 0 0 349.452 2.932 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3CC34CCCC4)CC2)cc1F ZINC000759306775 575888934 /nfs/dbraw/zinc/88/89/34/575888934.db2.gz ZXSOFRKUQYTADT-QGZVFWFLSA-N 0 0 347.434 2.999 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000759434628 575891625 /nfs/dbraw/zinc/89/16/25/575891625.db2.gz FPKCSCCIVQVCOE-QGZVFWFLSA-N 0 0 327.384 2.746 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000759578687 575904230 /nfs/dbraw/zinc/90/42/30/575904230.db2.gz IPAMZRWZECGNMW-DUXPYHPUSA-N 0 0 349.289 2.571 10 10 EFCERN COc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000759587539 575904930 /nfs/dbraw/zinc/90/49/30/575904930.db2.gz AHNHDUYFIOFPPR-QPJJXVBHSA-N 0 0 345.307 2.771 10 10 EFCERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000760955072 576093597 /nfs/dbraw/zinc/09/35/97/576093597.db2.gz NXHHKZIERABOLK-MEKMUKHISA-N 0 0 333.428 2.805 10 10 EFCERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000760955070 576093743 /nfs/dbraw/zinc/09/37/43/576093743.db2.gz NXHHKZIERABOLK-MARQAQSISA-N 0 0 333.428 2.805 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N[C@H](CC3CC3)C2=O)cc1F ZINC000761249485 576135551 /nfs/dbraw/zinc/13/55/51/576135551.db2.gz JWBRLDAHYMPYSY-OAHLLOKOSA-N 0 0 333.407 2.892 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000761355836 576150403 /nfs/dbraw/zinc/15/04/03/576150403.db2.gz MWPRKQVFOSKKGS-OIISXLGYSA-N 0 0 327.428 2.624 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761361286 576151032 /nfs/dbraw/zinc/15/10/32/576151032.db2.gz LUTKRCXAWQRRRE-NJAFHUGGSA-N 0 0 337.423 2.626 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3ccccn3)cc2N1 ZINC000761886493 576225517 /nfs/dbraw/zinc/22/55/17/576225517.db2.gz ISFHTSXSTPDYCF-ZDUSSCGKSA-N 0 0 340.339 2.662 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCCc4sccc4C3)cc2N1 ZINC000761895490 576226400 /nfs/dbraw/zinc/22/64/00/576226400.db2.gz YFROQQICMKILIY-UHFFFAOYSA-N 0 0 345.380 2.940 10 10 EFCERN NC(=O)c1ccc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cn1 ZINC000762063077 576251982 /nfs/dbraw/zinc/25/19/82/576251982.db2.gz WGXTYSBPRZOLKC-UHFFFAOYSA-N 0 0 349.325 2.827 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000763374267 576374776 /nfs/dbraw/zinc/37/47/76/576374776.db2.gz AWNMAZQEHJXOIW-XYLWRLHESA-N 0 0 334.372 2.785 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000763374264 576374803 /nfs/dbraw/zinc/37/48/03/576374803.db2.gz AWNMAZQEHJXOIW-WAFBPQNNSA-N 0 0 334.372 2.785 10 10 EFCERN O=C(NCc1noc(C2CC2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000763477395 576378670 /nfs/dbraw/zinc/37/86/70/576378670.db2.gz LGSYBICWSUBGOB-UHFFFAOYSA-N 0 0 341.415 2.547 10 10 EFCERN O=C(NCc1cscn1)NCc1cccc(Br)c1O ZINC000764771190 576501549 /nfs/dbraw/zinc/50/15/49/576501549.db2.gz UILGMZDBGCSGGD-UHFFFAOYSA-N 0 0 342.218 2.611 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](CC(F)(F)F)C3)cc2N1 ZINC000764915485 576522824 /nfs/dbraw/zinc/52/28/24/576522824.db2.gz YLKYKEDUADWPCN-MRVPVSSYSA-N 0 0 345.277 2.704 10 10 EFCERN CCCN(C)S(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000765161061 577014243 /nfs/dbraw/zinc/01/42/43/577014243.db2.gz RSTXZZLLCAWGAZ-UHFFFAOYSA-N 0 0 349.500 2.813 10 10 EFCERN Cc1nnccc1NC(=O)NCc1cccc(Br)c1O ZINC000765342615 577034078 /nfs/dbraw/zinc/03/40/78/577034078.db2.gz GCUYUQLUAJQSKS-UHFFFAOYSA-N 0 0 337.177 2.575 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCC12CCOCC2 ZINC000765532701 577052172 /nfs/dbraw/zinc/05/21/72/577052172.db2.gz CSFNSFNKYFNQQI-UHFFFAOYSA-N 0 0 327.475 2.590 10 10 EFCERN Cn1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000765787288 577077065 /nfs/dbraw/zinc/07/70/65/577077065.db2.gz KLBCWJREMPIQAS-UHFFFAOYSA-N 0 0 329.404 2.608 10 10 EFCERN CCOCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000765838428 577082069 /nfs/dbraw/zinc/08/20/69/577082069.db2.gz RGXRQMRGXXIMNT-UHFFFAOYSA-N 0 0 333.359 2.996 10 10 EFCERN CCOc1ccc(N(CC)CC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000766251752 577127180 /nfs/dbraw/zinc/12/71/80/577127180.db2.gz YAIZGIYXVMHHER-SFHVURJKSA-N 0 0 332.444 2.549 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000767148697 577197811 /nfs/dbraw/zinc/19/78/11/577197811.db2.gz PENNLEUINBNOEO-QGZVFWFLSA-N 0 0 341.407 2.964 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000767305179 577203359 /nfs/dbraw/zinc/20/33/59/577203359.db2.gz YSDPCRCLPZFUPH-XQRVVYSFSA-N 0 0 334.372 2.644 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)O[C@@H]1CCCNC1=O ZINC000767311210 577203520 /nfs/dbraw/zinc/20/35/20/577203520.db2.gz XHMLCGLARNGZQE-QGZVFWFLSA-N 0 0 326.396 2.838 10 10 EFCERN CCOc1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC000768252805 577263245 /nfs/dbraw/zinc/26/32/45/577263245.db2.gz QNVXINGCEJAKSM-UHFFFAOYSA-N 0 0 334.460 2.871 10 10 EFCERN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000768448362 577274866 /nfs/dbraw/zinc/27/48/66/577274866.db2.gz BXBZPKRRWCHNBH-IBGZPJMESA-N 0 0 330.428 2.530 10 10 EFCERN CO[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000768464290 577276292 /nfs/dbraw/zinc/27/62/92/577276292.db2.gz POTRWRQTMMKASC-LBPRGKRZSA-N 0 0 331.416 2.993 10 10 EFCERN CCN(CC)c1ccc(CNc2nc(C)nc(N(C)C)n2)cc1F ZINC000768523697 577280552 /nfs/dbraw/zinc/28/05/52/577280552.db2.gz KLNQSHPBGFASOX-UHFFFAOYSA-N 0 0 332.427 2.843 10 10 EFCERN Cc1cnn(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)c1 ZINC000768900743 577315225 /nfs/dbraw/zinc/31/52/25/577315225.db2.gz PTWSANPIYGLXDV-UHFFFAOYSA-N 0 0 337.379 2.564 10 10 EFCERN COc1cccc(O)c1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000769328976 577352669 /nfs/dbraw/zinc/35/26/69/577352669.db2.gz IMYCGTQLHGKYJV-INIZCTEOSA-N 0 0 326.396 2.638 10 10 EFCERN COc1cccc([C@H]2CN(Cc3c(O)cccc3OC)CCO2)c1 ZINC000769332349 577352864 /nfs/dbraw/zinc/35/28/64/577352864.db2.gz MNBSSEYTDBPKSU-LJQANCHMSA-N 0 0 329.396 2.983 10 10 EFCERN C[C@@H](NC(=O)NCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000726247454 577357665 /nfs/dbraw/zinc/35/76/65/577357665.db2.gz UCEYLDIQBPXINW-OAHLLOKOSA-N 0 0 349.475 2.699 10 10 EFCERN CC(C)[C@@H](NC(=O)NCc1ccccc1O)c1nnc2ccccn21 ZINC000726251487 577358061 /nfs/dbraw/zinc/35/80/61/577358061.db2.gz ZUKRSCGSRIZWHH-MRXNPFEDSA-N 0 0 339.399 2.631 10 10 EFCERN COc1cccc(O)c1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000769414412 577360839 /nfs/dbraw/zinc/36/08/39/577360839.db2.gz USEUNULFHCPURZ-MRXNPFEDSA-N 0 0 344.386 2.777 10 10 EFCERN CCOc1ccc(C(=O)NCc2cccc(OC)c2O)cc1[N+](=O)[O-] ZINC000769499245 577367411 /nfs/dbraw/zinc/36/74/11/577367411.db2.gz RQBCWFMMRRPGOC-UHFFFAOYSA-N 0 0 346.339 2.638 10 10 EFCERN Cc1cc2c[nH]nc2c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000726527709 577372262 /nfs/dbraw/zinc/37/22/62/577372262.db2.gz SVWHKVNVUJDQFT-UHFFFAOYSA-N 0 0 336.395 2.960 10 10 EFCERN Cn1cc(-c2ccnc(/C=C\c3ccc(N4CCOCC4)cc3)n2)cn1 ZINC000769615838 577375322 /nfs/dbraw/zinc/37/53/22/577375322.db2.gz QSCFWJAVOAYFRS-DAXSKMNVSA-N 0 0 347.422 2.884 10 10 EFCERN CC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664563 577377572 /nfs/dbraw/zinc/37/75/72/577377572.db2.gz IAPWOHHXDGFKPX-HNNXBMFYSA-N 0 0 342.439 2.929 10 10 EFCERN COc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000726788753 577386472 /nfs/dbraw/zinc/38/64/72/577386472.db2.gz HMDHFZLKXQTQOU-UHFFFAOYSA-N 0 0 349.438 2.598 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000770285316 577410071 /nfs/dbraw/zinc/41/00/71/577410071.db2.gz FRDMFZGEPRQJQO-ZWNOBZJWSA-N 0 0 326.780 2.955 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)c1ccsc1 ZINC000770343954 577411899 /nfs/dbraw/zinc/41/18/99/577411899.db2.gz IFKFZLRLNRFCMM-KRWDZBQOSA-N 0 0 345.468 2.881 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1=CCC1 ZINC000770486498 577421026 /nfs/dbraw/zinc/42/10/26/577421026.db2.gz QVRSIHSVUACTIM-UHFFFAOYSA-N 0 0 340.345 2.878 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(C)c2C2CC2)c1 ZINC000771225799 581189909 /nfs/dbraw/zinc/18/99/09/581189909.db2.gz CHQIFYFPUPSOLZ-SNVBAGLBSA-N 0 0 330.388 2.894 10 10 EFCERN O=C(C1=CC(=O)CS1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771418024 581210015 /nfs/dbraw/zinc/21/00/15/581210015.db2.gz MWALDUBHNXOMNW-CQSZACIVSA-N 0 0 348.468 2.709 10 10 EFCERN CC(C)[C@@H]1C[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000772503393 581331249 /nfs/dbraw/zinc/33/12/49/581331249.db2.gz VYLLYRYJSNMJJA-IRXDYDNUSA-N 0 0 332.444 2.546 10 10 EFCERN CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773019169 581388433 /nfs/dbraw/zinc/38/84/33/581388433.db2.gz PLCUHRVDMANJCS-GFCCVEGCSA-N 0 0 345.468 2.941 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773397968 581426852 /nfs/dbraw/zinc/42/68/52/581426852.db2.gz NVDJGWSBZFGWRZ-OCCSQVGLSA-N 0 0 329.448 2.776 10 10 EFCERN C[C@H](NC(=O)N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773624789 581451793 /nfs/dbraw/zinc/45/17/93/581451793.db2.gz KUHMDRJGDQYHSV-BLLLJJGKSA-N 0 0 333.457 2.908 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC12OCCO2 ZINC000773885215 581472121 /nfs/dbraw/zinc/47/21/21/581472121.db2.gz QDLAUSHVVVRSEA-KRWDZBQOSA-N 0 0 332.444 2.644 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774814516 581501485 /nfs/dbraw/zinc/50/14/85/581501485.db2.gz LUIVQGDDVRLKAJ-UHFFFAOYSA-N 0 0 330.340 2.880 10 10 EFCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CC1 ZINC001708400318 1250150100 /nfs/dbraw/zinc/15/01/00/1250150100.db2.gz PFHAXTZFHYLJMT-CYBMUJFWSA-N 0 0 330.432 2.659 10 10 EFCERN Cc1cc(CNC(=O)O[C@H]2CNOC2)c(C)n1-c1cccc(C)c1 ZINC001687286887 1248198076 /nfs/dbraw/zinc/19/80/76/1248198076.db2.gz XEJAJKVRTZIDIQ-KRWDZBQOSA-N 0 0 329.400 2.532 10 10 EFCERN Cc1cc(C(=O)COC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(C)n1-c1ccccc1 ZINC000850257046 1250380187 /nfs/dbraw/zinc/38/01/87/1250380187.db2.gz AFDRPMGEHJCACC-DZFIZOCASA-N 0 0 339.391 2.712 10 10 EFCERN CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000850343488 1250438375 /nfs/dbraw/zinc/43/83/75/1250438375.db2.gz UCXIGWSHWPQEHC-RISCZKNCSA-N 0 0 344.249 2.604 10 10 EFCERN COC[C@@H](CC[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000850345805 1250442235 /nfs/dbraw/zinc/44/22/35/1250442235.db2.gz KXOUFXNSYCDDMB-GFCCVEGCSA-N 0 0 332.238 2.604 10 10 EFCERN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1(=O)=O ZINC000850367957 1250451265 /nfs/dbraw/zinc/45/12/65/1250451265.db2.gz GCJYJIPZINVJOZ-GZMMTYOYSA-N 0 0 338.256 2.754 10 10 EFCERN COc1ccc(N2CC[C@@H](N[C@@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489296 1250501030 /nfs/dbraw/zinc/50/10/30/1250501030.db2.gz SMTYJAASHSSWFB-VQIMIIECSA-N 0 0 349.438 2.771 10 10 EFCERN C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000850498787 1250508436 /nfs/dbraw/zinc/50/84/36/1250508436.db2.gz DEGKVVXBGZDQNQ-HEHGZKQESA-N 0 0 345.422 2.610 10 10 EFCERN C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500001 1250510556 /nfs/dbraw/zinc/51/05/56/1250510556.db2.gz BVQJXJJIZFXFAH-IAQYHMDHSA-N 0 0 341.367 2.539 10 10 EFCERN C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000850500745 1250510901 /nfs/dbraw/zinc/51/09/01/1250510901.db2.gz IZUXSRXSLCMHCJ-BMIGLBTASA-N 0 0 332.350 2.909 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850503822 1250514167 /nfs/dbraw/zinc/51/41/67/1250514167.db2.gz ZANBBENJNSNIFD-WNCDQNTKSA-N 0 0 329.387 2.887 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850501760 1250514346 /nfs/dbraw/zinc/51/43/46/1250514346.db2.gz PEASIZYFMXSHHJ-GMZLATJGSA-N 0 0 338.404 2.517 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850531182 1250525652 /nfs/dbraw/zinc/52/56/52/1250525652.db2.gz CNUXFKCZOBXEOD-HQQWDMGQSA-N 0 0 341.354 2.644 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850566898 1250538734 /nfs/dbraw/zinc/53/87/34/1250538734.db2.gz UDUOIKIWPDYKOH-NSHDSACASA-N 0 0 343.370 2.770 10 10 EFCERN Cc1cc(C(=O)OC[C@@H]2CCC3(COC3)O2)c(C)n1-c1ccccn1 ZINC000922321956 1265529699 /nfs/dbraw/zinc/52/96/99/1265529699.db2.gz BOURRNQITJNMHU-HNNXBMFYSA-N 0 0 342.395 2.594 10 10 EFCERN CCCCC[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000851688303 1251209873 /nfs/dbraw/zinc/20/98/73/1251209873.db2.gz WLOYDUFTPSZQMZ-GOSISDBHSA-N 0 0 345.487 2.889 10 10 EFCERN C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000842902218 1256955911 /nfs/dbraw/zinc/95/59/11/1256955911.db2.gz MHLXOLCSRVRGBI-SNVBAGLBSA-N 0 0 328.338 2.823 10 10 EFCERN COC(OC)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001626029930 1256965879 /nfs/dbraw/zinc/96/58/79/1256965879.db2.gz QHRBYLBXSSFFHI-SXAWMYDMSA-N 0 0 343.379 2.587 10 10 EFCERN CN1Cc2ccccc2[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663939 1259567578 /nfs/dbraw/zinc/56/75/78/1259567578.db2.gz YWNWZKCAQVTBLC-INIZCTEOSA-N 0 0 329.375 2.517 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000921696993 1261169085 /nfs/dbraw/zinc/16/90/85/1261169085.db2.gz FDNAZEPWOSLMEC-KWCYVHTRSA-N 0 0 342.461 2.710 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401873 1261612620 /nfs/dbraw/zinc/61/26/20/1261612620.db2.gz YWDNPSMDSBAYIA-CQSZACIVSA-N 0 0 335.423 2.738 10 10 EFCERN CC(C)(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)c(=O)[nH]1 ZINC000923509186 1261809835 /nfs/dbraw/zinc/80/98/35/1261809835.db2.gz OUOZGXCDXJGWBH-UHFFFAOYSA-N 0 0 347.390 2.929 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C/c1scnc1C ZINC001128177258 1263219867 /nfs/dbraw/zinc/21/98/67/1263219867.db2.gz BCDLVVLCQBOSBX-CMDGGOBGSA-N 0 0 346.408 2.923 10 10 EFCERN CCC[NH+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715739804 1263905370 /nfs/dbraw/zinc/90/53/70/1263905370.db2.gz ZKSLAJQVUPLHBZ-UHFFFAOYSA-N 0 0 331.229 2.821 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2[C@H](C)CC[C@@H]2CO)c1 ZINC000921972183 1263956080 /nfs/dbraw/zinc/95/60/80/1263956080.db2.gz ANNDMWWYCVDTQK-BFUOFWGJSA-N 0 0 340.423 2.892 10 10 EFCERN CC(C)(O)c1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000922038850 1264199953 /nfs/dbraw/zinc/19/99/53/1264199953.db2.gz SSROJQCCBQMGPY-UHFFFAOYSA-N 0 0 332.375 2.758 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655800 1278222093 /nfs/dbraw/zinc/22/20/93/1278222093.db2.gz ZXUMBDPXHMSMDL-IXPVHAAZSA-N 0 0 329.799 2.547 10 10 EFCERN C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000715769563 1264918001 /nfs/dbraw/zinc/91/80/01/1264918001.db2.gz LZZIRNMDTVCAMQ-GXSJLCMTSA-N 0 0 331.229 2.711 10 10 EFCERN C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000715769573 1264921054 /nfs/dbraw/zinc/92/10/54/1264921054.db2.gz LZZIRNMDTVCAMQ-ONGXEEELSA-N 0 0 331.229 2.711 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2cc(O)ccc2C1 ZINC000922213596 1264988063 /nfs/dbraw/zinc/98/80/63/1264988063.db2.gz YSMHWIAASJFMBD-ZDUSSCGKSA-N 0 0 330.359 2.594 10 10 EFCERN COC(=O)c1ccc(C)c2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000824193424 1266820252 /nfs/dbraw/zinc/82/02/52/1266820252.db2.gz DDRCRXLBQAVVFF-VQHVLOKHSA-N 0 0 339.395 2.508 10 10 EFCERN CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCOCC2)cc1F ZINC000824669625 1278239827 /nfs/dbraw/zinc/23/98/27/1278239827.db2.gz OOUZUWBLNVRTQI-UHFFFAOYSA-N 0 0 348.340 2.867 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2COC[C@H]2c2ccccc2)cc1F ZINC000824669298 1278240401 /nfs/dbraw/zinc/24/04/01/1278240401.db2.gz IHNMEJIQRUAKPR-DLBZAZTESA-N 0 0 342.414 2.938 10 10 EFCERN Cc1ccn([C@H](C)CC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000824676068 1278241606 /nfs/dbraw/zinc/24/16/06/1278241606.db2.gz DFJSHJUJCAUTID-OAHLLOKOSA-N 0 0 326.444 2.841 10 10 EFCERN COc1c([O-])c(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000824702807 1278254318 /nfs/dbraw/zinc/25/43/18/1278254318.db2.gz QNXDOOYFIUHTGU-NLNKHKNDSA-N 0 0 330.384 2.953 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922677931 1266582637 /nfs/dbraw/zinc/58/26/37/1266582637.db2.gz INHOJSUXGBJGEI-YPMHNXCESA-N 0 0 334.294 2.890 10 10 EFCERN CCOC(=O)[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC001626085280 1266811650 /nfs/dbraw/zinc/81/16/50/1266811650.db2.gz FVFPNGHMACLWOP-KRWDZBQOSA-N 0 0 334.460 2.984 10 10 EFCERN COC(=O)c1cccc(NC(=O)NCc2cc(OC)ccc2O)c1C ZINC000734059566 1266844927 /nfs/dbraw/zinc/84/49/27/1266844927.db2.gz ATRUKQFGYNETBO-UHFFFAOYSA-N 0 0 344.367 2.818 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000734065285 1266847521 /nfs/dbraw/zinc/84/75/21/1266847521.db2.gz YPLKRAHTVRAMGK-LLVKDONJSA-N 0 0 344.367 2.690 10 10 EFCERN C[C@]1(C(=O)NCc2ccccc2O)CCCN1C(=O)c1ccccc1 ZINC000735116035 1267214333 /nfs/dbraw/zinc/21/43/33/1267214333.db2.gz YFIWAMLQGZTYNY-HXUWFJFHSA-N 0 0 338.407 2.703 10 10 EFCERN Cc1cc(CC(=O)NCCn2ccnc2C)c(C)n1-c1ccccc1 ZINC000824850934 1278314401 /nfs/dbraw/zinc/31/44/01/1278314401.db2.gz QJCUSVNUAQOCIC-UHFFFAOYSA-N 0 0 336.439 2.958 10 10 EFCERN CCC(CC)(NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(N)=O ZINC000824920412 1278353710 /nfs/dbraw/zinc/35/37/10/1278353710.db2.gz MXNDYGGYWSLJQR-UHFFFAOYSA-N 0 0 341.455 2.797 10 10 EFCERN Cc1cc(CCNC(=O)NCC2(O)CCC2)c(C)n1-c1ccccc1 ZINC000738972071 1268593423 /nfs/dbraw/zinc/59/34/23/1268593423.db2.gz ZUGGZCWVNOBEPP-UHFFFAOYSA-N 0 0 341.455 2.851 10 10 EFCERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O ZINC000825200832 1278459789 /nfs/dbraw/zinc/45/97/89/1278459789.db2.gz GZHPQWMJTGORLI-KGLIPLIRSA-N 0 0 329.849 2.506 10 10 EFCERN Cc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000741913811 1269752041 /nfs/dbraw/zinc/75/20/41/1269752041.db2.gz DOTSLVYQFDUJMN-UHFFFAOYSA-N 0 0 330.819 2.751 10 10 EFCERN C[C@H](NC(=O)NC(C)(C)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000792053267 1278519440 /nfs/dbraw/zinc/51/94/40/1278519440.db2.gz ZVAZUQZPZGDOFB-LBPRGKRZSA-N 0 0 341.402 2.927 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CC2CC2)nn1 ZINC000825368138 1278524743 /nfs/dbraw/zinc/52/47/43/1278524743.db2.gz NOQAJYFJKKLQNI-UHFFFAOYSA-N 0 0 341.459 2.805 10 10 EFCERN CCOC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000825426099 1278547713 /nfs/dbraw/zinc/54/77/13/1278547713.db2.gz WRJAAILUFKRBAC-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)c1ccc(F)cc1 ZINC000743811823 1270764823 /nfs/dbraw/zinc/76/48/23/1270764823.db2.gz FOCYFTXLVHUPGD-UHFFFAOYSA-N 0 0 327.355 2.909 10 10 EFCERN CC(C)N(CCCOC(=O)c1cccc(O)c1O)CC(F)(F)F ZINC000792152746 1278588919 /nfs/dbraw/zinc/58/89/19/1278588919.db2.gz WDRLXTQOKZOPME-UHFFFAOYSA-N 0 0 335.322 2.917 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2cn(C3CCC3)nn2)C2CC2)cc1 ZINC000843527984 1278595623 /nfs/dbraw/zinc/59/56/23/1278595623.db2.gz ZZEKPNQHZPAXCV-UHFFFAOYSA-N 0 0 339.443 2.874 10 10 EFCERN COc1cccc(CNC(=O)Nc2cccc(N(C)C(C)=O)c2)c1O ZINC000746035641 1271725526 /nfs/dbraw/zinc/72/55/26/1271725526.db2.gz ZQTUSMNBHHAHFN-UHFFFAOYSA-N 0 0 343.383 2.705 10 10 EFCERN COc1ccc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)cc1 ZINC000581789052 1271767793 /nfs/dbraw/zinc/76/77/93/1271767793.db2.gz JDBKCGUTESQWLJ-UHFFFAOYSA-N 0 0 326.396 2.796 10 10 EFCERN CCN(CC(=O)NCc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000746108769 1271789917 /nfs/dbraw/zinc/78/99/17/1271789917.db2.gz BIQGGVSJZVOXAF-UHFFFAOYSA-N 0 0 328.412 2.847 10 10 EFCERN CCOP(=O)(CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)OCC ZINC000843920413 1278660621 /nfs/dbraw/zinc/66/06/21/1278660621.db2.gz QOSOYQFJZFCOQH-CLFYSBASSA-N 0 0 343.316 2.793 10 10 EFCERN CCCN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000746171592 1271850813 /nfs/dbraw/zinc/85/08/13/1271850813.db2.gz IEVREKLKMGRGLM-UHFFFAOYSA-N 0 0 336.391 2.742 10 10 EFCERN C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000746167821 1271872722 /nfs/dbraw/zinc/87/27/22/1271872722.db2.gz JJBAXIUXQAWDII-HOTGVXAUSA-N 0 0 339.439 2.899 10 10 EFCERN CNC(=O)c1ccc(NCCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000746389562 1272149677 /nfs/dbraw/zinc/14/96/77/1272149677.db2.gz MNWYVQHGGGZWSJ-UHFFFAOYSA-N 0 0 349.438 2.898 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000843936447 1278687760 /nfs/dbraw/zinc/68/77/60/1278687760.db2.gz SIEGDDPPUXOYFQ-FZMZJTMJSA-N 0 0 349.427 2.846 10 10 EFCERN Nc1cc(Br)ccc1C(=O)NCc1c(O)cccc1F ZINC001156177792 1272214189 /nfs/dbraw/zinc/21/41/89/1272214189.db2.gz ODCRACZBWFPGFJ-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2CC(=O)N(C)CC1CCCCC1 ZINC001168858938 1272449224 /nfs/dbraw/zinc/44/92/24/1272449224.db2.gz HDNWLXKOLYSBRF-UHFFFAOYSA-N 0 0 345.487 2.990 10 10 EFCERN O=C(COC(=O)c1csc(C(F)(F)F)n1)c1ccc(O)c(O)c1 ZINC000792325512 1278729608 /nfs/dbraw/zinc/72/96/08/1278729608.db2.gz KZQNHTLDOLSQRN-UHFFFAOYSA-N 0 0 347.270 2.613 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CCOC[C@@H]2C)CCCC1 ZINC001129194042 1274225716 /nfs/dbraw/zinc/22/57/16/1274225716.db2.gz QNLXLLVOLTUSQC-AWEZNQCLSA-N 0 0 342.439 2.776 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000785763438 1275179425 /nfs/dbraw/zinc/17/94/25/1275179425.db2.gz ZRPSNZCQZOMSJZ-UHFFFAOYSA-N 0 0 345.370 2.914 10 10 EFCERN CCN(C)c1ccc(CN2CCn3c(CC4CC4)nnc3C2)cc1 ZINC000844381159 1278956218 /nfs/dbraw/zinc/95/62/18/1278956218.db2.gz DMSRPJQWZHZURS-UHFFFAOYSA-N 0 0 325.460 2.703 10 10 EFCERN CO[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000786766626 1275519211 /nfs/dbraw/zinc/51/92/11/1275519211.db2.gz DACCQGWEWPIOBC-AWEZNQCLSA-N 0 0 347.381 2.828 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000786973459 1275594294 /nfs/dbraw/zinc/59/42/94/1275594294.db2.gz NIXUVKCEROOVEY-FVQHAEBGSA-N 0 0 331.485 2.838 10 10 EFCERN Cc1cc(Br)cc(CN2C[C@@H](O)CC(F)(F)C2)c1O ZINC000787438116 1275778500 /nfs/dbraw/zinc/77/85/00/1275778500.db2.gz IMJAHUJXGQMAAM-NSHDSACASA-N 0 0 336.176 2.665 10 10 EFCERN CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(O)cc1 ZINC000787448668 1275781738 /nfs/dbraw/zinc/78/17/38/1275781738.db2.gz FSWGPNPGVPKXKD-IBGZPJMESA-N 0 0 341.407 2.981 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@H]1CCCOCC1 ZINC000787582780 1275815605 /nfs/dbraw/zinc/81/56/05/1275815605.db2.gz WLUPCJDTLCXJEF-JTQLQIEISA-N 0 0 328.206 2.588 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnccc1C ZINC000787918988 1275973215 /nfs/dbraw/zinc/97/32/15/1275973215.db2.gz UEJBHTZNASJLAV-UHFFFAOYSA-N 0 0 333.457 2.667 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000788054025 1276016729 /nfs/dbraw/zinc/01/67/29/1276016729.db2.gz NEWQGFCMUADITF-UHFFFAOYSA-N 0 0 347.484 2.606 10 10 EFCERN Cc1cc(C(=O)O[C@H]2CCN(CCF)C2)c(C)n1-c1ccccn1 ZINC000788084561 1276034468 /nfs/dbraw/zinc/03/44/68/1276034468.db2.gz SDSODCYLFNKOFG-HNNXBMFYSA-N 0 0 331.391 2.690 10 10 EFCERN C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1cncnc1 ZINC000788129209 1276047759 /nfs/dbraw/zinc/04/77/59/1276047759.db2.gz JAWJWJJACISTJA-ZDUSSCGKSA-N 0 0 344.378 2.929 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cc(Br)n[nH]2)cc1 ZINC000788267555 1276122633 /nfs/dbraw/zinc/12/26/33/1276122633.db2.gz VRYAPLCHBPSPHV-UHFFFAOYSA-N 0 0 337.221 2.510 10 10 EFCERN CN(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000788492107 1276198040 /nfs/dbraw/zinc/19/80/40/1276198040.db2.gz JCNLUBNECMYMLK-UHFFFAOYSA-N 0 0 326.805 2.912 10 10 EFCERN CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccc2[nH]ccc2c1 ZINC000788551801 1276215791 /nfs/dbraw/zinc/21/57/91/1276215791.db2.gz MRKJOMMHUBGNEZ-QPJJXVBHSA-N 0 0 348.406 2.989 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001136025535 1276343767 /nfs/dbraw/zinc/34/37/67/1276343767.db2.gz OFOHNNRQKFSVDK-LENZSSGSSA-N 0 0 344.455 2.953 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2ccnn2C)c1O ZINC000844465830 1279023231 /nfs/dbraw/zinc/02/32/31/1279023231.db2.gz VXARTZIMNATSHI-INIZCTEOSA-N 0 0 349.818 2.555 10 10 EFCERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC001136190038 1276638954 /nfs/dbraw/zinc/63/89/54/1276638954.db2.gz ONQVJQTWSPALOS-UHFFFAOYSA-N 0 0 340.383 2.828 10 10 EFCERN O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000819126778 1276642055 /nfs/dbraw/zinc/64/20/55/1276642055.db2.gz RTYVEZUFLGKMNB-OZSKJFCKSA-N 0 0 332.469 2.591 10 10 EFCERN COc1ccc(N2CCC(NC(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 ZINC000819218763 1276693461 /nfs/dbraw/zinc/69/34/61/1276693461.db2.gz KJKLRRMOZBWAGQ-BLGFXRMMSA-N 0 0 330.428 2.515 10 10 EFCERN O=C(/C=C/[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000819419540 1276781240 /nfs/dbraw/zinc/78/12/40/1276781240.db2.gz HAPJDGUPFDMCMA-RJCHQFKYSA-N 0 0 331.412 2.635 10 10 EFCERN COCCOc1ccccc1NC[C@H](O)COc1ccc(C)cc1 ZINC000819425102 1276781941 /nfs/dbraw/zinc/78/19/41/1276781941.db2.gz XXNKQYPWPANRIE-INIZCTEOSA-N 0 0 331.412 2.872 10 10 EFCERN O=C(/C=C\[C@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000819530701 1276805630 /nfs/dbraw/zinc/80/56/30/1276805630.db2.gz IQQGIYKCUYSAFW-TXNVCOODSA-N 0 0 326.190 2.506 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)c3cccnc3)C2)cc1 ZINC000819584654 1276829013 /nfs/dbraw/zinc/82/90/13/1276829013.db2.gz NZSAUSOWIQVNJF-HOTGVXAUSA-N 0 0 339.439 2.836 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC(C)(C)O3)C2)cc1 ZINC000819587860 1276832326 /nfs/dbraw/zinc/83/23/26/1276832326.db2.gz IGUAMVMWLMACJB-PBHICJAKSA-N 0 0 332.444 2.595 10 10 EFCERN COc1nn(C)cc1NCc1cc(Br)cc(C)c1O ZINC000789586997 1276834010 /nfs/dbraw/zinc/83/40/10/1276834010.db2.gz UCORHNKIGZQSII-UHFFFAOYSA-N 0 0 326.194 2.817 10 10 EFCERN O=C(NCc1cc(NC(=O)[C@@H]2CC23CC3)ccc1O)[C@@H]1CC12CC2 ZINC000923120369 1276855683 /nfs/dbraw/zinc/85/56/83/1276855683.db2.gz VBXFFVGUQAXEOR-KBPBESRZSA-N 0 0 326.396 2.547 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCC(C)(C)C(C)=O ZINC000819697000 1276877223 /nfs/dbraw/zinc/87/72/23/1276877223.db2.gz LAZINLAHOHXHOE-UHFFFAOYSA-N 0 0 349.427 2.679 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)n1cccc1 ZINC000819696530 1276877905 /nfs/dbraw/zinc/87/79/05/1276877905.db2.gz WKYOYMBHHPEIFN-OAHLLOKOSA-N 0 0 344.411 2.737 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1[nH]ccc1C1CC1 ZINC000819699995 1276878995 /nfs/dbraw/zinc/87/89/95/1276878995.db2.gz PPIPZHFNQRSBBY-UHFFFAOYSA-N 0 0 342.395 2.803 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sc2nccn2c1C ZINC000819760547 1276912886 /nfs/dbraw/zinc/91/28/86/1276912886.db2.gz FRAFQKDFQKNCPZ-UHFFFAOYSA-N 0 0 336.413 2.826 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)s1 ZINC000819974268 1276956694 /nfs/dbraw/zinc/95/66/94/1276956694.db2.gz LVBJRZYJVWOCKN-UHFFFAOYSA-N 0 0 334.416 2.996 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000819973895 1276956992 /nfs/dbraw/zinc/95/69/92/1276956992.db2.gz DSDPXPBHIRTVKC-WMZOPIPTSA-N 0 0 334.460 2.543 10 10 EFCERN Cc1cc([C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CCO2)ccc1F ZINC000789995656 1277154332 /nfs/dbraw/zinc/15/43/32/1277154332.db2.gz QRJYYTYYRFCCLF-OAHLLOKOSA-N 0 0 349.333 2.898 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N(C)C)nc2)c1 ZINC000103572237 1279088775 /nfs/dbraw/zinc/08/87/75/1279088775.db2.gz CHGOPGXKSXJFDN-LLVKDONJSA-N 0 0 330.388 2.745 10 10 EFCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 ZINC001136342990 1277194589 /nfs/dbraw/zinc/19/45/89/1277194589.db2.gz JDWZDPPDYGWIFK-AWEZNQCLSA-N 0 0 343.379 2.679 10 10 EFCERN CCc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)no1 ZINC000821239978 1277490388 /nfs/dbraw/zinc/49/03/88/1277490388.db2.gz SRTJWIAUUGUCBQ-UHFFFAOYSA-N 0 0 344.415 2.520 10 10 EFCERN CCc1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000821239949 1277490575 /nfs/dbraw/zinc/49/05/75/1277490575.db2.gz RZYNPFNOBALDBM-LBPRGKRZSA-N 0 0 330.388 2.646 10 10 EFCERN CN1CCCc2cc(CNC(=O)C(F)(F)C3CCOCC3)ccc21 ZINC000790536358 1277609422 /nfs/dbraw/zinc/60/94/22/1277609422.db2.gz ACVKGCQCMJDYTN-UHFFFAOYSA-N 0 0 338.398 2.747 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1sccc1F ZINC000815062561 1287287886 /nfs/dbraw/zinc/28/78/86/1287287886.db2.gz MGMQPPKKUDXVDO-UHFFFAOYSA-N 0 0 338.379 2.793 10 10 EFCERN O=C(NCCCSc1nccs1)C(F)(F)C1CCOCC1 ZINC000790635369 1277689392 /nfs/dbraw/zinc/68/93/92/1277689392.db2.gz FAZVQFJSPDHONS-UHFFFAOYSA-N 0 0 336.429 2.803 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000790802103 1277783229 /nfs/dbraw/zinc/78/32/29/1277783229.db2.gz DIEAEUOGDFTXFL-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2cnn(C)c2C)c(C)n1-c1ccccn1 ZINC000791078684 1277941385 /nfs/dbraw/zinc/94/13/85/1277941385.db2.gz VPJVLWHJMBFUTF-UHFFFAOYSA-N 0 0 337.427 2.803 10 10 EFCERN Cc1cc(N2CC[C@H](Nc3ccccc3NC(C)C)C2=O)n(C)n1 ZINC000871846351 1287319397 /nfs/dbraw/zinc/31/93/97/1287319397.db2.gz XRECMZYKSQSVPU-INIZCTEOSA-N 0 0 327.432 2.766 10 10 EFCERN COc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(O)c1 ZINC000792788452 1279153087 /nfs/dbraw/zinc/15/30/87/1279153087.db2.gz ZIGWHMSPDJRHCN-LLVKDONJSA-N 0 0 344.367 2.690 10 10 EFCERN COC1(C[C@@H]2NC(=O)N([C@H](C)c3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844721048 1279198733 /nfs/dbraw/zinc/19/87/33/1279198733.db2.gz WMZDKXSCZUMTKT-CJNGLKHVSA-N 0 0 345.443 2.693 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)C2CCOCC2)cc1 ZINC000844776427 1279245130 /nfs/dbraw/zinc/24/51/30/1279245130.db2.gz BJYPOMXACKDFEM-GOSISDBHSA-N 0 0 331.460 2.757 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000844777373 1279246751 /nfs/dbraw/zinc/24/67/51/1279246751.db2.gz JZAAFAURRYHOJU-FOIQADDNSA-N 0 0 341.455 2.848 10 10 EFCERN COc1ccc(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)c(O)c1 ZINC000792900513 1279254160 /nfs/dbraw/zinc/25/41/60/1279254160.db2.gz SGQKQTIDSDAZMI-INIZCTEOSA-N 0 0 342.395 2.951 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cnc(C3CC3)nc2)cc1 ZINC000844857322 1279288445 /nfs/dbraw/zinc/28/84/45/1279288445.db2.gz TWWOFXKHNFHHFZ-UHFFFAOYSA-N 0 0 340.427 2.571 10 10 EFCERN Cn1cc(/C=C/C(=O)N2CCCc3nc(Br)ccc32)cn1 ZINC000844851139 1279309392 /nfs/dbraw/zinc/30/93/92/1279309392.db2.gz JSHUZRAXYKDEJS-QPJJXVBHSA-N 0 0 347.216 2.570 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C2(C(F)(F)F)CC2)cc1 ZINC000844854128 1279312124 /nfs/dbraw/zinc/31/21/24/1279312124.db2.gz OWZXNPHCIFSJPQ-UHFFFAOYSA-N 0 0 330.350 2.932 10 10 EFCERN O=C(NCCC1(CO)CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000844887847 1279318080 /nfs/dbraw/zinc/31/80/80/1279318080.db2.gz ORJFITZRORAZGV-UHFFFAOYSA-N 0 0 331.460 2.639 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NCc2cccc(C)n2)cc1 ZINC000844902401 1279325291 /nfs/dbraw/zinc/32/52/91/1279325291.db2.gz QBIIMTQESFMFIC-UHFFFAOYSA-N 0 0 342.443 2.676 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000844973786 1279368455 /nfs/dbraw/zinc/36/84/55/1279368455.db2.gz LRHGBPXWYQULNB-LSDHHAIUSA-N 0 0 330.787 2.905 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(C2(O)CC2)CC1 ZINC000845004329 1279381154 /nfs/dbraw/zinc/38/11/54/1279381154.db2.gz ZLDMFQFHENUNCO-UHFFFAOYSA-N 0 0 341.455 2.509 10 10 EFCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCc2ccc(F)cc21 ZINC001144290765 1279392988 /nfs/dbraw/zinc/39/29/88/1279392988.db2.gz BCAZKCKQCGURNM-GFCCVEGCSA-N 0 0 329.371 2.968 10 10 EFCERN C[C@H](NC(=O)N1CCC(C2(O)CC2)CC1)c1ccc(N(C)C)cc1 ZINC000845123842 1279448698 /nfs/dbraw/zinc/44/86/98/1279448698.db2.gz FPMCRZXGUPRARY-AWEZNQCLSA-N 0 0 331.460 2.760 10 10 EFCERN O=C(/C=C/c1cncc(F)c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001144338779 1279452771 /nfs/dbraw/zinc/45/27/71/1279452771.db2.gz SATODLVOXHPBIU-MUBLQREKSA-N 0 0 330.334 2.571 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000845286486 1279535788 /nfs/dbraw/zinc/53/57/88/1279535788.db2.gz WNHUZMNAQBTLKD-HRCADAONSA-N 0 0 331.460 2.961 10 10 EFCERN COc1cccc(CNC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000845411531 1279603014 /nfs/dbraw/zinc/60/30/14/1279603014.db2.gz REEWQTAZIKJFPV-CABCVRRESA-N 0 0 330.787 2.905 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cccn(C)c1=O ZINC001144451516 1279687913 /nfs/dbraw/zinc/68/79/13/1279687913.db2.gz SSFCYIATISTJQN-UHFFFAOYSA-N 0 0 349.390 2.858 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000845662562 1279773408 /nfs/dbraw/zinc/77/34/08/1279773408.db2.gz WZURCXDDYPWZQZ-SKVWCYETSA-N 0 0 334.372 2.785 10 10 EFCERN CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000845671045 1279780713 /nfs/dbraw/zinc/78/07/13/1279780713.db2.gz YWOJRGNTKLTWCB-KGXGESDWSA-N 0 0 334.372 2.786 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@]4(CC4(F)F)C3)cc2N1 ZINC000845743198 1279812421 /nfs/dbraw/zinc/81/24/21/1279812421.db2.gz RAKLMMJECLNXOO-CQSZACIVSA-N 0 0 339.298 2.551 10 10 EFCERN Cc1nc(COC(C)(C)C)oc1C(=O)NCc1ccc(O)c(O)c1 ZINC000845832918 1279882138 /nfs/dbraw/zinc/88/21/38/1279882138.db2.gz APBFZVFBKJPBAL-UHFFFAOYSA-N 0 0 334.372 2.639 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C(C)(C)O)CC1 ZINC000845929365 1279939366 /nfs/dbraw/zinc/93/93/66/1279939366.db2.gz BQVZUNJQMBLVIW-LRVUVFPRSA-N 0 0 335.444 2.722 10 10 EFCERN CC(C)(C)OC(=O)CN(Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000846052296 1280004002 /nfs/dbraw/zinc/00/40/02/1280004002.db2.gz FTGSUYNDJOYWRQ-UHFFFAOYSA-N 0 0 335.400 2.675 10 10 EFCERN CC1(C)CN(Cc2cc(Br)ccc2O)[C@@H]2COC[C@H]2O1 ZINC000846118057 1280024408 /nfs/dbraw/zinc/02/44/08/1280024408.db2.gz JVCULRNKVSOSCA-TZMCWYRMSA-N 0 0 342.233 2.533 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846105804 1280035947 /nfs/dbraw/zinc/03/59/47/1280035947.db2.gz YMIGQBKURXZNMZ-CQSZACIVSA-N 0 0 328.315 2.930 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CNc3ccccc3C2)c1 ZINC000846193954 1280066139 /nfs/dbraw/zinc/06/61/39/1280066139.db2.gz HTOZZCSKGWFZGV-OCCSQVGLSA-N 0 0 341.411 2.798 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cc(C)cc(=O)[nH]3)CC2)cc1 ZINC000815257490 1287395821 /nfs/dbraw/zinc/39/58/21/1287395821.db2.gz AMCGOJPHIVGBRZ-UHFFFAOYSA-N 0 0 341.411 2.503 10 10 EFCERN CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846253842 1280087516 /nfs/dbraw/zinc/08/75/16/1280087516.db2.gz HCHRPYSRIIJRMZ-RISCZKNCSA-N 0 0 332.404 2.534 10 10 EFCERN COc1ccc(CNC(=O)c2cnc3onc(C(C)C)c3c2)c(O)c1 ZINC000794376972 1280159609 /nfs/dbraw/zinc/15/96/09/1280159609.db2.gz OAMIWHKXPJKGJQ-UHFFFAOYSA-N 0 0 341.367 2.990 10 10 EFCERN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)c(F)c1 ZINC001129726490 1280325029 /nfs/dbraw/zinc/32/50/29/1280325029.db2.gz DKAFVUJQFZADTK-UHFFFAOYSA-N 0 0 327.363 2.545 10 10 EFCERN CC(C)(C)OC(=O)NCC1(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000846657722 1280372420 /nfs/dbraw/zinc/37/24/20/1280372420.db2.gz AHMJWKIEZGNNQA-UHFFFAOYSA-N 0 0 340.445 2.879 10 10 EFCERN COC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805150880 1280459966 /nfs/dbraw/zinc/45/99/66/1280459966.db2.gz KKFNIBVLRSSUEZ-GFCCVEGCSA-N 0 0 345.237 2.625 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C(C)=C/c3ccncc3)CC2)cc1 ZINC000846769043 1280472729 /nfs/dbraw/zinc/47/27/29/1280472729.db2.gz UZOVKMTVLBTTQL-FOCLMDBBSA-N 0 0 337.423 2.842 10 10 EFCERN C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805252134 1280487171 /nfs/dbraw/zinc/48/71/71/1280487171.db2.gz XVJRHEHCKKYBPO-JOYOIKCWSA-N 0 0 343.221 2.521 10 10 EFCERN O=C(NCCCCCCO)NCc1cc(Br)ccc1O ZINC000805373616 1280545084 /nfs/dbraw/zinc/54/50/84/1280545084.db2.gz WALWOCGWDBRHBF-UHFFFAOYSA-N 0 0 345.237 2.507 10 10 EFCERN CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000872168513 1287459161 /nfs/dbraw/zinc/45/91/61/1287459161.db2.gz XCAYDMYHHUGUIO-KBPBESRZSA-N 0 0 330.350 2.838 10 10 EFCERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000806325990 1281041811 /nfs/dbraw/zinc/04/18/11/1281041811.db2.gz WSPBAOPQUBSKHK-SMDDNHRTSA-N 0 0 345.365 2.614 10 10 EFCERN CCN(CC)c1ccc(/C=C/c2cc(=O)n3[nH]cnc3n2)cc1F ZINC000806571245 1281099598 /nfs/dbraw/zinc/09/95/98/1281099598.db2.gz SCPCJYZEHPUNHY-FNORWQNLSA-N 0 0 327.363 2.573 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCCCC[C@@H]3CCO)ccc21 ZINC000806634431 1281118713 /nfs/dbraw/zinc/11/87/13/1281118713.db2.gz HBZSDJRRWALWRY-GOSISDBHSA-N 0 0 345.487 2.906 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1OCC1CC1 ZINC001147469572 1281178130 /nfs/dbraw/zinc/17/81/30/1281178130.db2.gz GUZBZEQGZWFZDP-UHFFFAOYSA-N 0 0 327.380 2.746 10 10 EFCERN CC(C)c1n[nH]cc1C(=O)NCc1cc(Br)ccc1O ZINC000807736550 1281399645 /nfs/dbraw/zinc/39/96/45/1281399645.db2.gz BBHQXMQBGYPBEI-UHFFFAOYSA-N 0 0 338.205 2.931 10 10 EFCERN CCOC1CC(C(=O)NCc2cc(Br)ccc2O)C1 ZINC000807740640 1281403118 /nfs/dbraw/zinc/40/31/18/1281403118.db2.gz VSQIBKOIMZDYCJ-UHFFFAOYSA-N 0 0 328.206 2.586 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C(=O)NCC2(C)C)c(C)n1-c1cccc(C)c1 ZINC001148151945 1281430179 /nfs/dbraw/zinc/43/01/79/1281430179.db2.gz WUZROFLOXOGVMJ-KRWDZBQOSA-N 0 0 339.439 2.657 10 10 EFCERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000807842416 1281436596 /nfs/dbraw/zinc/43/65/96/1281436596.db2.gz JVVYWPPQPUBEAU-QGZVFWFLSA-N 0 0 346.402 2.952 10 10 EFCERN O=c1c(NCc2cccc(Br)c2[O-])nccn1C(F)F ZINC000808050319 1281522761 /nfs/dbraw/zinc/52/27/61/1281522761.db2.gz ZBOCPGGPQUTWCY-UHFFFAOYSA-N 0 0 346.131 2.719 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(N2CCCC2)nc1 ZINC000808096168 1281535287 /nfs/dbraw/zinc/53/52/87/1281535287.db2.gz DFRSHCYJTAFRCF-UHFFFAOYSA-N 0 0 346.427 2.803 10 10 EFCERN Cc1ccc(CS(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000808278988 1281641765 /nfs/dbraw/zinc/64/17/65/1281641765.db2.gz OJXOSOUUVGFWFX-UHFFFAOYSA-N 0 0 332.469 2.989 10 10 EFCERN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000808335755 1281674756 /nfs/dbraw/zinc/67/47/56/1281674756.db2.gz UXBYLXMXDFIIRX-ZCFIWIBFSA-N 0 0 341.127 2.905 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000808430749 1281725289 /nfs/dbraw/zinc/72/52/89/1281725289.db2.gz JQVKNKJGPCVPLP-GFCCVEGCSA-N 0 0 327.211 2.960 10 10 EFCERN CCCOc1nc2ccccc2cc1C=CC(=O)OCC(=O)C(C)=O ZINC000808494531 1281737329 /nfs/dbraw/zinc/73/73/29/1281737329.db2.gz OWMFOVPCUAVKIL-CMDGGOBGSA-N 0 0 341.363 2.738 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000808496238 1281737785 /nfs/dbraw/zinc/73/77/85/1281737785.db2.gz HEAFFAIXAQPCTK-UHFFFAOYSA-N 0 0 325.242 2.569 10 10 EFCERN CC(=O)C(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000808501731 1281742330 /nfs/dbraw/zinc/74/23/30/1281742330.db2.gz NVIFKOFOYJPZHR-UHFFFAOYSA-N 0 0 340.379 2.591 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000808509060 1281746192 /nfs/dbraw/zinc/74/61/92/1281746192.db2.gz LZZJHJCLDPVOCU-UHFFFAOYSA-N 0 0 348.358 2.854 10 10 EFCERN CC(=O)C(=O)COC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000808511698 1281747155 /nfs/dbraw/zinc/74/71/55/1281747155.db2.gz GAOHOGLVXBKPIP-UHFFFAOYSA-N 0 0 347.392 2.912 10 10 EFCERN CC(=O)C(=O)COC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000808522882 1281752725 /nfs/dbraw/zinc/75/27/25/1281752725.db2.gz GKFCHLFJKZPRDN-UHFFFAOYSA-N 0 0 348.786 2.517 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000808500051 1281756665 /nfs/dbraw/zinc/75/66/65/1281756665.db2.gz SVTJKGSDIZBVPD-UHFFFAOYSA-N 0 0 338.319 2.513 10 10 EFCERN CC(=O)C(=O)COC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000808534333 1281764883 /nfs/dbraw/zinc/76/48/83/1281764883.db2.gz KTEOVYHYSQNNLP-UHFFFAOYSA-N 0 0 339.319 2.712 10 10 EFCERN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)C(C)=O ZINC000808548219 1281776169 /nfs/dbraw/zinc/77/61/69/1281776169.db2.gz BXYQDSVERGPMCM-GFCCVEGCSA-N 0 0 330.302 2.975 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC001148941942 1281815809 /nfs/dbraw/zinc/81/58/09/1281815809.db2.gz CKOIAEAJCCECJT-CJNGLKHVSA-N 0 0 347.436 2.817 10 10 EFCERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000809696384 1282381013 /nfs/dbraw/zinc/38/10/13/1282381013.db2.gz ILCRNRMXTHMRBM-CZUORRHYSA-N 0 0 344.377 2.675 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(c3ccc(C)cc3)C(=O)C2)c1 ZINC000809686985 1282405422 /nfs/dbraw/zinc/40/54/22/1282405422.db2.gz AAYSSCKMGMEZRC-UHFFFAOYSA-N 0 0 340.423 2.948 10 10 EFCERN Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000809769643 1282431338 /nfs/dbraw/zinc/43/13/38/1282431338.db2.gz QBEFCCGVXCHMKV-HUBLWGQQSA-N 0 0 344.377 2.978 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000809743678 1282443359 /nfs/dbraw/zinc/44/33/59/1282443359.db2.gz ZPNLJRTTXPVVQO-JTQLQIEISA-N 0 0 342.155 2.866 10 10 EFCERN CCOC(=O)COCCN1CCCc2cc(OC(F)F)ccc21 ZINC000809956366 1282684175 /nfs/dbraw/zinc/68/41/75/1282684175.db2.gz LCGMJGAMDKZKIT-UHFFFAOYSA-N 0 0 329.343 2.620 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)OC1CCOCC1 ZINC000810080296 1282818183 /nfs/dbraw/zinc/81/81/83/1282818183.db2.gz YWHKVRSCSKBSCC-UHFFFAOYSA-N 0 0 330.178 2.560 10 10 EFCERN C[C@H]1COCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805363427 1282943402 /nfs/dbraw/zinc/94/34/02/1282943402.db2.gz COEPDAHKHODZQQ-UFBFGSQYSA-N 0 0 333.215 2.923 10 10 EFCERN COc1cc(F)c(F)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000810270670 1283112650 /nfs/dbraw/zinc/11/26/50/1283112650.db2.gz DRHQADISMBAXEL-UHFFFAOYSA-N 0 0 338.310 2.749 10 10 EFCERN CC(C)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)nn1 ZINC000811839589 1284669104 /nfs/dbraw/zinc/66/91/04/1284669104.db2.gz LBFASLXEGWJHLH-UHFFFAOYSA-N 0 0 328.416 2.713 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000812047342 1284837224 /nfs/dbraw/zinc/83/72/24/1284837224.db2.gz GXMCNLPDLDWAEW-DNVCBOLYSA-N 0 0 341.455 2.982 10 10 EFCERN CN(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000812345554 1285090813 /nfs/dbraw/zinc/09/08/13/1285090813.db2.gz DOLXCAFSQUEPTD-IBGZPJMESA-N 0 0 341.386 2.859 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 ZINC000812497790 1285183703 /nfs/dbraw/zinc/18/37/03/1285183703.db2.gz COVPYPXVOIWAIE-GXFFZTMASA-N 0 0 346.349 2.605 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000747828346 1285498227 /nfs/dbraw/zinc/49/82/27/1285498227.db2.gz UFIWWEQNVPMXSJ-DLBZAZTESA-N 0 0 331.460 2.711 10 10 EFCERN CC[C@H](C)[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(N)=O ZINC001133518691 1285535071 /nfs/dbraw/zinc/53/50/71/1285535071.db2.gz VWARCHZAWYWIPX-DJJJIMSYSA-N 0 0 341.455 2.653 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cn(C)nc2C2CC2)c1 ZINC000812997423 1285574155 /nfs/dbraw/zinc/57/41/55/1285574155.db2.gz UTTYHBVVGNLOCM-JTQLQIEISA-N 0 0 330.388 2.894 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1 ZINC000813037301 1285604935 /nfs/dbraw/zinc/60/49/35/1285604935.db2.gz MLMPAZXFNIINPC-KRWDZBQOSA-N 0 0 349.500 2.560 10 10 EFCERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1O ZINC001171730984 1285746608 /nfs/dbraw/zinc/74/66/08/1285746608.db2.gz VLUDGJUXJKWPKZ-JTQLQIEISA-N 0 0 344.323 2.563 10 10 EFCERN CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553981 1289029979 /nfs/dbraw/zinc/02/99/79/1289029979.db2.gz QIYZNIJGPJATNN-KXBFYZLASA-N 0 0 346.496 2.671 10 10 EFCERN CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000822553614 1289030501 /nfs/dbraw/zinc/03/05/01/1289030501.db2.gz LHFWTTHEXIDRFY-WBVHZDCISA-N 0 0 334.485 2.671 10 10 EFCERN COC1(c2ccccc2)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000813331694 1285815943 /nfs/dbraw/zinc/81/59/43/1285815943.db2.gz RKZINEVYGOPHMS-UHFFFAOYSA-N 0 0 338.451 2.881 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](O)Cc2ccccc2)c1 ZINC000813489170 1285946060 /nfs/dbraw/zinc/94/60/60/1285946060.db2.gz RAURHVRKZBZQAF-HIFRSBDPSA-N 0 0 329.396 2.572 10 10 EFCERN Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000813515507 1285958628 /nfs/dbraw/zinc/95/86/28/1285958628.db2.gz GHUGIHJODQDSSV-UHFFFAOYSA-N 0 0 342.443 2.812 10 10 EFCERN COc1cccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c1O ZINC000813591148 1286005004 /nfs/dbraw/zinc/00/50/04/1286005004.db2.gz YJARFOYWBBONMF-UHFFFAOYSA-N 0 0 325.324 2.891 10 10 EFCERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1ccc(O)c(O)c1 ZINC000813592469 1286005250 /nfs/dbraw/zinc/00/52/50/1286005250.db2.gz OBCIBVGYVUWIFI-UHFFFAOYSA-N 0 0 325.324 2.631 10 10 EFCERN O=C(NC1COCCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000813817100 1286123046 /nfs/dbraw/zinc/12/30/46/1286123046.db2.gz YZYBRXMJTHEGEG-UHFFFAOYSA-N 0 0 348.443 2.652 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(F)n3)C2)cc1 ZINC000822651272 1289065053 /nfs/dbraw/zinc/06/50/53/1289065053.db2.gz XAAOOGWQRFTMEX-GFCCVEGCSA-N 0 0 330.363 2.630 10 10 EFCERN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC001134145783 1286376112 /nfs/dbraw/zinc/37/61/12/1286376112.db2.gz PQPURYHOEUAWJR-IDTUSYRASA-N 0 0 340.354 2.612 10 10 EFCERN COc1cccc2c1[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)CC2 ZINC000814533608 1286725267 /nfs/dbraw/zinc/72/52/67/1286725267.db2.gz BTVLWQPSUQTRNJ-CYBMUJFWSA-N 0 0 342.347 2.562 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000822785862 1289103823 /nfs/dbraw/zinc/10/38/23/1289103823.db2.gz GAZVXCHIZJXGGD-KCPJHIHWSA-N 0 0 342.361 2.899 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000822791414 1289105576 /nfs/dbraw/zinc/10/55/76/1289105576.db2.gz SKPJYYJXADYGEE-MXASKKJJSA-N 0 0 329.444 2.682 10 10 EFCERN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)C1=CC(=O)CS1 ZINC000871430458 1287059295 /nfs/dbraw/zinc/05/92/95/1287059295.db2.gz IPUPUJYFSUPIRA-HNNXBMFYSA-N 0 0 325.817 2.831 10 10 EFCERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819745 1289122407 /nfs/dbraw/zinc/12/24/07/1289122407.db2.gz ZKHCSXWTUDELSQ-MJGOQNOKSA-N 0 0 346.471 2.735 10 10 EFCERN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822819744 1289123158 /nfs/dbraw/zinc/12/31/58/1289123158.db2.gz ZKHCSXWTUDELSQ-IEBWSBKVSA-N 0 0 346.471 2.735 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000822831757 1289126851 /nfs/dbraw/zinc/12/68/51/1289126851.db2.gz HLKYGUIANIDDIR-YSVXCWOHSA-N 0 0 328.456 2.532 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccc(N4CCC4)nc3)ccc21 ZINC000822867797 1289144218 /nfs/dbraw/zinc/14/42/18/1289144218.db2.gz LKQMKXZZRYVQKG-UHFFFAOYSA-N 0 0 336.439 2.604 10 10 EFCERN COc1ccc(F)c2[nH]c(C(=O)NCc3cccc(O)c3O)cc21 ZINC001176564456 1288040585 /nfs/dbraw/zinc/04/05/85/1288040585.db2.gz AZUIJUQOQAOQHP-UHFFFAOYSA-N 0 0 330.315 2.657 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OC(F)(F)F)cc1 ZINC001176748217 1288094139 /nfs/dbraw/zinc/09/41/39/1288094139.db2.gz MSHHFXZESXPYHW-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN COc1ccc2c(c1)[C@H](C(=O)NCc1cc(O)ccc1O)CCC2 ZINC001176756118 1288121647 /nfs/dbraw/zinc/12/16/47/1288121647.db2.gz XMRUPZABTVXDBY-MRXNPFEDSA-N 0 0 327.380 2.843 10 10 EFCERN C[C@H](O)[C@H](NCc1cc(Cl)ccc1O)C(=O)OCc1ccccc1 ZINC000816626353 1288215189 /nfs/dbraw/zinc/21/51/89/1288215189.db2.gz FZOPTXVUEUKQKV-SJCJKPOMSA-N 0 0 349.814 2.628 10 10 EFCERN Cc1cccc(CN2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000816630498 1288217159 /nfs/dbraw/zinc/21/71/59/1288217159.db2.gz GJTPSBQQRJNJLH-UHFFFAOYSA-N 0 0 348.443 2.522 10 10 EFCERN Cc1nc(C(=O)NCc2cc(Br)ccc2O)c(C)o1 ZINC000816654047 1288229669 /nfs/dbraw/zinc/22/96/69/1288229669.db2.gz RTWCFAQDJXKCNS-UHFFFAOYSA-N 0 0 325.162 2.690 10 10 EFCERN COc1ccc(N(CC(=O)N(C)C)Cc2ccccc2)cc1OC ZINC001177022498 1288230980 /nfs/dbraw/zinc/23/09/80/1288230980.db2.gz PPXREIPEJDIOGI-UHFFFAOYSA-N 0 0 328.412 2.799 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]1n1cccn1 ZINC000816671880 1288238920 /nfs/dbraw/zinc/23/89/20/1288238920.db2.gz JVBBDXZMGHQGEB-ZNMIVQPWSA-N 0 0 339.798 2.890 10 10 EFCERN O=C(/C=C/c1cnc2ccccc2n1)N1C[C@@H](CO)Cc2ccccc21 ZINC000816783470 1288270774 /nfs/dbraw/zinc/27/07/74/1288270774.db2.gz UVVWFCNWBNCWBH-FEAKQIBJSA-N 0 0 345.402 2.841 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC001135749298 1288331165 /nfs/dbraw/zinc/33/11/65/1288331165.db2.gz KNRLHLWPRHTBPP-WEVVVXLNSA-N 0 0 338.363 2.642 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001135800204 1288391318 /nfs/dbraw/zinc/39/13/18/1288391318.db2.gz AZJBLTGMVRVVER-IRXDYDNUSA-N 0 0 343.471 2.537 10 10 EFCERN CCCNC(=O)CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001135800867 1288392784 /nfs/dbraw/zinc/39/27/84/1288392784.db2.gz SSBIRTIJDLPZAG-UHFFFAOYSA-N 0 0 331.460 2.552 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817131772 1288432587 /nfs/dbraw/zinc/43/25/87/1288432587.db2.gz OZOQBVQVDIVDPD-SDQPKGBYSA-N 0 0 346.383 2.665 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2sc3ncccc3c2N)cc1 ZINC001135825121 1288438318 /nfs/dbraw/zinc/43/83/18/1288438318.db2.gz GGDBIZDUILYCRI-UHFFFAOYSA-N 0 0 326.425 2.875 10 10 EFCERN CCn1cnc(S(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)c1 ZINC000817151963 1288442770 /nfs/dbraw/zinc/44/27/70/1288442770.db2.gz IILNETKRUGSDGF-UHFFFAOYSA-N 0 0 333.413 2.779 10 10 EFCERN COc1ccc(CNC(=O)NC[C@H]2CC23CCSCC3)c(O)c1 ZINC000817170571 1288447898 /nfs/dbraw/zinc/44/78/98/1288447898.db2.gz HATRIWJTDOPHFH-CYBMUJFWSA-N 0 0 336.457 2.733 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000817170527 1288448027 /nfs/dbraw/zinc/44/80/27/1288448027.db2.gz GPJZAJSAVMFTHA-DAYGRLMNSA-N 0 0 333.476 2.547 10 10 EFCERN Cc1cc(CNC(=O)c2cccnc2C(N)=O)c(C)n1-c1ccccc1 ZINC001170859527 1288500484 /nfs/dbraw/zinc/50/04/84/1288500484.db2.gz VOEBDTYXOODLCI-UHFFFAOYSA-N 0 0 348.406 2.518 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CC4)cc2F)C[C@H](C)O1 ZINC000817428747 1288604488 /nfs/dbraw/zinc/60/44/88/1288604488.db2.gz VKURBRNELPVODT-GUTXKFCHSA-N 0 0 332.419 2.856 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CC4)cc2F)C[C@@H](C)O1 ZINC000817428749 1288605640 /nfs/dbraw/zinc/60/56/40/1288605640.db2.gz VKURBRNELPVODT-UMVBOHGHSA-N 0 0 332.419 2.856 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CC4)cc2F)C[C@H](C)O1 ZINC000817428750 1288605647 /nfs/dbraw/zinc/60/56/47/1288605647.db2.gz VKURBRNELPVODT-VNHYZAJKSA-N 0 0 332.419 2.856 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCO[C@H]1CC1(F)F ZINC000821450039 1288721498 /nfs/dbraw/zinc/72/14/98/1288721498.db2.gz AIGPCYRWLCAIME-HNNXBMFYSA-N 0 0 341.402 2.708 10 10 EFCERN O=Cc1cn(CC(=O)NCc2c(O)cccc2F)c2ccccc12 ZINC001178413036 1288780431 /nfs/dbraw/zinc/78/04/31/1288780431.db2.gz LDBWDWLKEPXAGH-UHFFFAOYSA-N 0 0 326.327 2.615 10 10 EFCERN CSc1cc2c(cc1NC(=O)Cc1ccc(O)c(O)c1)OCCO2 ZINC001136497159 1288790655 /nfs/dbraw/zinc/79/06/55/1288790655.db2.gz ZVMPGHXULNNUGY-UHFFFAOYSA-N 0 0 347.392 2.772 10 10 EFCERN COC(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)o1 ZINC000821842963 1288807013 /nfs/dbraw/zinc/80/70/13/1288807013.db2.gz PPQBQNDRYCBGEJ-UHFFFAOYSA-N 0 0 342.395 2.905 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C\c3cccnc3C)CC2)cc1 ZINC000822197363 1288904795 /nfs/dbraw/zinc/90/47/95/1288904795.db2.gz XVCWUXBPZSBKAG-YHYXMXQVSA-N 0 0 337.423 2.761 10 10 EFCERN CC1(C)C[C@H](O)c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2O1 ZINC001179618361 1289200206 /nfs/dbraw/zinc/20/02/06/1289200206.db2.gz IGQRLZAHOBHFKP-INIZCTEOSA-N 0 0 343.379 2.874 10 10 EFCERN CCCN(CC(=O)NC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823089208 1289208364 /nfs/dbraw/zinc/20/83/64/1289208364.db2.gz OIXQCWUUTBGWOU-UHFFFAOYSA-N 0 0 341.455 2.621 10 10 EFCERN Brc1cc(CNn2cnnc2)ccc1N1CCCCC1 ZINC001179722836 1289246000 /nfs/dbraw/zinc/24/60/00/1289246000.db2.gz YGISAEKVTRJYRH-UHFFFAOYSA-N 0 0 336.237 2.775 10 10 EFCERN CCOC(=O)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823265905 1289254520 /nfs/dbraw/zinc/25/45/20/1289254520.db2.gz YIEDRVYVUSDYSE-CQSZACIVSA-N 0 0 328.412 2.704 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)CC1CCCC1 ZINC000823575753 1289337053 /nfs/dbraw/zinc/33/70/53/1289337053.db2.gz AKEDZUQFMFAGSJ-QGZVFWFLSA-N 0 0 335.444 2.699 10 10 EFCERN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nccn1C ZINC000823816105 1289450495 /nfs/dbraw/zinc/45/04/95/1289450495.db2.gz PASLWDGDAGQTJT-CQSZACIVSA-N 0 0 341.459 2.921 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCc1cc(Cl)ccc1O)CCO2 ZINC000824213501 1289573016 /nfs/dbraw/zinc/57/30/16/1289573016.db2.gz PVJHOZWZOUNCMT-HOTGVXAUSA-N 0 0 325.792 2.595 10 10 EFCERN CON1CCC(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000824262403 1289593110 /nfs/dbraw/zinc/59/31/10/1289593110.db2.gz XBCOEHGSOGSLFU-UHFFFAOYSA-N 0 0 345.487 2.957 10 10 EFCERN Cc1cnn(C)c1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000824379122 1289634960 /nfs/dbraw/zinc/63/49/60/1289634960.db2.gz GKSITQJUDLYHDO-UHFFFAOYSA-N 0 0 345.472 2.603 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000824524156 1289681484 /nfs/dbraw/zinc/68/14/84/1289681484.db2.gz RFOKRBAMVMZFSI-ZSGPHXLJSA-N 0 0 329.444 2.619 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)c2cnn(C)c2)c1 ZINC001136900618 1289708308 /nfs/dbraw/zinc/70/83/08/1289708308.db2.gz YTAHALQFIDXSJJ-UHFFFAOYSA-N 0 0 336.395 2.917 10 10 EFCERN Cn1cnc2c1ccc1c2CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001181223423 1289750488 /nfs/dbraw/zinc/75/04/88/1289750488.db2.gz OXDUMUQWZGZZNT-WEVVVXLNSA-N 0 0 349.390 2.977 10 10 EFCERN CC(=O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000875374334 1290516588 /nfs/dbraw/zinc/51/65/88/1290516588.db2.gz IGNJDUXZHWPIHC-UHFFFAOYSA-N 0 0 327.475 2.636 10 10 EFCERN COc1cc(C)cc(CN2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC000795634812 1290733319 /nfs/dbraw/zinc/73/33/19/1290733319.db2.gz MCPMALPUXBNICX-UHFFFAOYSA-N 0 0 340.423 2.866 10 10 EFCERN COc1c([O-])c(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775012905 1290948709 /nfs/dbraw/zinc/94/87/09/1290948709.db2.gz LDVCVLVNDIWBTC-CHWSQXEVSA-N 0 0 337.420 2.662 10 10 EFCERN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1c(C)nn(C)c1C ZINC000775028591 1290971689 /nfs/dbraw/zinc/97/16/89/1290971689.db2.gz DYZMRZRBCAXYGA-ZDUSSCGKSA-N 0 0 348.403 2.900 10 10 EFCERN COc1c([O-])c(C[NH2+]CCc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000775031128 1290978503 /nfs/dbraw/zinc/97/85/03/1290978503.db2.gz YMGSAFSLHGMEMY-UHFFFAOYSA-N 0 0 338.310 2.920 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001166830753 1312849579 /nfs/dbraw/zinc/84/95/79/1312849579.db2.gz AHHDYEQIMWJYAT-HNNXBMFYSA-N 0 0 349.333 2.519 10 10 EFCERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000878301300 1291612738 /nfs/dbraw/zinc/61/27/38/1291612738.db2.gz WAFIYCGMNXFXPB-ICSRJNTNSA-N 0 0 342.483 2.948 10 10 EFCERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC000795936299 1291706695 /nfs/dbraw/zinc/70/66/95/1291706695.db2.gz AXSPXNXTBXPSLW-LSDHHAIUSA-N 0 0 325.393 2.925 10 10 EFCERN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000775292199 1291819486 /nfs/dbraw/zinc/81/94/86/1291819486.db2.gz VOHKTHRTWMVOAT-UHFFFAOYSA-N 0 0 349.408 2.905 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878906505 1291860078 /nfs/dbraw/zinc/86/00/78/1291860078.db2.gz XDUULIIURFHJBY-UHFFFAOYSA-N 0 0 329.375 2.757 10 10 EFCERN COC(=O)c1cc(OCC(=O)N(CC(C)C)C2CC2)ccc1N(C)C ZINC001189977311 1291938375 /nfs/dbraw/zinc/93/83/75/1291938375.db2.gz KSINOFJRYMBSPV-UHFFFAOYSA-N 0 0 348.443 2.565 10 10 EFCERN Cc1cc(CN2CCNC(=O)[C@H]2C(C)C)ccc1N1CCCCC1 ZINC001190864722 1292353344 /nfs/dbraw/zinc/35/33/44/1292353344.db2.gz KDUXOFWCZXAROI-LJQANCHMSA-N 0 0 329.488 2.942 10 10 EFCERN CC1(C)CN(Cc2ccc(Br)cc2O)[C@@H]2COC[C@H]2O1 ZINC000826142832 1292370517 /nfs/dbraw/zinc/37/05/17/1292370517.db2.gz MIPRZWYWHBENLH-TZMCWYRMSA-N 0 0 342.233 2.533 10 10 EFCERN O=S(=O)(NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000796190603 1292383041 /nfs/dbraw/zinc/38/30/41/1292383041.db2.gz AGQQKOYDIXYDHY-UHFFFAOYSA-N 0 0 348.262 2.907 10 10 EFCERN CC(=O)c1cc(F)cc(Cn2cc(-c3cnn(C(C)C)c3)nn2)c1O ZINC000880995722 1292712959 /nfs/dbraw/zinc/71/29/59/1292712959.db2.gz FEKPDRNTBSYGOT-UHFFFAOYSA-N 0 0 343.362 2.818 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]3CCCC[C@@H]3O)nn2)c1O ZINC000880999726 1292715184 /nfs/dbraw/zinc/71/51/84/1292715184.db2.gz RSVOEYVRQNWOPU-BBRMVZONSA-N 0 0 349.818 2.907 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)nn2C)cc1F ZINC000881251043 1292797263 /nfs/dbraw/zinc/79/72/63/1292797263.db2.gz QFRYZJYFPMXTOQ-UHFFFAOYSA-N 0 0 349.410 2.736 10 10 EFCERN COc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n(C)n1 ZINC000881253522 1292798482 /nfs/dbraw/zinc/79/84/82/1292798482.db2.gz OGLRGWSATMBAIR-UHFFFAOYSA-N 0 0 343.431 2.691 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000796303700 1292819585 /nfs/dbraw/zinc/81/95/85/1292819585.db2.gz CSFPPNKRSWLFOG-SDBXPKJASA-N 0 0 335.297 2.886 10 10 EFCERN CC[C@H]([NH2+]CCc1nnnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775520139 1292858149 /nfs/dbraw/zinc/85/81/49/1292858149.db2.gz QBIXAGMUSDZBKY-JTQLQIEISA-N 0 0 330.219 2.506 10 10 EFCERN COc1ccc2c(c1)CCCCN2CCn1c(C)ncc1[N+](=O)[O-] ZINC001192313907 1292865381 /nfs/dbraw/zinc/86/53/81/1292865381.db2.gz GIQXLQKZBWYEDC-UHFFFAOYSA-N 0 0 330.388 2.951 10 10 EFCERN COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(=O)c3sccc3[n-]2)c1 ZINC001192780375 1293036253 /nfs/dbraw/zinc/03/62/53/1293036253.db2.gz FEIROAZIFKMRTP-VIFPVBQESA-N 0 0 331.397 2.962 10 10 EFCERN O=C(Cc1cccc(O)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000101646559 1293802355 /nfs/dbraw/zinc/80/23/55/1293802355.db2.gz GTSLYHFMBSVPAD-UHFFFAOYSA-N 0 0 342.464 2.804 10 10 EFCERN Cc1cc(Br)cc(CN2CCN(CC(F)F)CC2)c1O ZINC000775663867 1293960575 /nfs/dbraw/zinc/96/05/75/1293960575.db2.gz GIYDGIYPUBEXRI-UHFFFAOYSA-N 0 0 349.219 2.846 10 10 EFCERN C[C@H](NS(=O)(=O)CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000867125998 1294008093 /nfs/dbraw/zinc/00/80/93/1294008093.db2.gz RYTUZBOJPMWZGF-ZDUSSCGKSA-N 0 0 328.478 2.548 10 10 EFCERN COC(=O)c1cncc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775680283 1294104832 /nfs/dbraw/zinc/10/48/32/1294104832.db2.gz BJIWCZHEJRULTD-GFCCVEGCSA-N 0 0 342.399 2.817 10 10 EFCERN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000775748320 1294388282 /nfs/dbraw/zinc/38/82/82/1294388282.db2.gz UTRLRFKMZODPEA-QMTHXVAHSA-N 0 0 326.799 2.675 10 10 EFCERN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000775748318 1294389084 /nfs/dbraw/zinc/38/90/84/1294389084.db2.gz UTRLRFKMZODPEA-HZMBPMFUSA-N 0 0 326.799 2.675 10 10 EFCERN c1c(NCc2ccc(N3CCOCC3)cc2)nnn1-c1ccccc1 ZINC001204110845 1313083349 /nfs/dbraw/zinc/08/33/49/1313083349.db2.gz KCLRDNGTGAOCHZ-UHFFFAOYSA-N 0 0 335.411 2.716 10 10 EFCERN Cc1ccccc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O ZINC000096935931 1294592129 /nfs/dbraw/zinc/59/21/29/1294592129.db2.gz LSTYBRWDYRFONL-NTCAYCPXSA-N 0 0 348.493 2.528 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000886089184 1294668558 /nfs/dbraw/zinc/66/85/58/1294668558.db2.gz VDBIWEUNCJIXCZ-WDEREUQCSA-N 0 0 340.445 2.877 10 10 EFCERN CNc1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000136584889 1294677579 /nfs/dbraw/zinc/67/75/79/1294677579.db2.gz PURMYJBHBNEPJT-UHFFFAOYSA-N 0 0 348.497 2.668 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC000867301590 1295417347 /nfs/dbraw/zinc/41/73/47/1295417347.db2.gz BEECMEBXSXWVJV-CXAGYDPISA-N 0 0 333.428 2.884 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000826692172 1295951910 /nfs/dbraw/zinc/95/19/10/1295951910.db2.gz BUDIESUQKVMVHZ-JKNJVXJCSA-N 0 0 346.383 2.786 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N3CCC[C@@H]4C[C@@]43C2=O)cc1 ZINC000924488530 1296769975 /nfs/dbraw/zinc/76/99/75/1296769975.db2.gz TVYLYEVTYVBGJK-BEFAXECRSA-N 0 0 327.428 2.850 10 10 EFCERN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000927039590 1296980912 /nfs/dbraw/zinc/98/09/12/1296980912.db2.gz PNFPDAWIEXESIY-VYHDIPPYSA-N 0 0 327.421 2.680 10 10 EFCERN O=C(CCc1ccc2c(c1)OCCO2)NCc1c(O)cccc1F ZINC000928709696 1297126329 /nfs/dbraw/zinc/12/63/29/1297126329.db2.gz LHOCMYHKQCWVII-UHFFFAOYSA-N 0 0 331.343 2.552 10 10 EFCERN C[C@H](C(=O)NCc1c(O)cccc1F)n1ccc(C(F)(F)F)n1 ZINC000928710209 1297126597 /nfs/dbraw/zinc/12/65/97/1297126597.db2.gz PWEFLQVJISUEFG-MRVPVSSYSA-N 0 0 331.269 2.624 10 10 EFCERN O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1c(O)cccc1F ZINC000928710401 1297126652 /nfs/dbraw/zinc/12/66/52/1297126652.db2.gz CXKVSCUPELLERZ-UHFFFAOYSA-N 0 0 342.370 2.665 10 10 EFCERN O=C(Nc1ccc(OC2COC2)cc1)N1Cc2cccc(O)c2C1 ZINC000931012656 1297305965 /nfs/dbraw/zinc/30/59/65/1297305965.db2.gz UOJPXVIRNIOSKX-UHFFFAOYSA-N 0 0 326.352 2.718 10 10 EFCERN CCc1onc(C)c1CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000931530687 1297350818 /nfs/dbraw/zinc/35/08/18/1297350818.db2.gz MWVUFHWUJHDZGU-UHFFFAOYSA-N 0 0 345.443 2.885 10 10 EFCERN COc1ccc(N2CCN(CCc3ccns3)CC2)c(OC)c1 ZINC000931530478 1297351159 /nfs/dbraw/zinc/35/11/59/1297351159.db2.gz HBYZUXGKTTWRCX-UHFFFAOYSA-N 0 0 333.457 2.525 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000778017321 1297359853 /nfs/dbraw/zinc/35/98/53/1297359853.db2.gz FOPKFBOISZZNMS-VAABUUKESA-N 0 0 348.399 2.768 10 10 EFCERN O=C(N[C@H](CO)c1cccc(Br)c1)C1=CC(=O)CS1 ZINC000778510228 1297684139 /nfs/dbraw/zinc/68/41/39/1297684139.db2.gz DLSNKFZXHFBRMB-LLVKDONJSA-N 0 0 342.214 2.680 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCO[C@@H](C)C1 ZINC000779012933 1297742711 /nfs/dbraw/zinc/74/27/11/1297742711.db2.gz KUXIYSMCIMJIDD-STQMWFEESA-N 0 0 341.835 2.836 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001545684054 1298120785 /nfs/dbraw/zinc/12/07/85/1298120785.db2.gz IPCDYAHKAFLEFJ-FPMFFAJLSA-N 0 0 349.427 2.946 10 10 EFCERN COc1cccc(CNC(=O)[C@H]2CCOc3c(F)cccc32)c1O ZINC001545684278 1298185081 /nfs/dbraw/zinc/18/50/81/1298185081.db2.gz QNYPKXHFWHEDKC-ZDUSSCGKSA-N 0 0 331.343 2.722 10 10 EFCERN c1cc(N2CCOCC2)ccc1CNc1ccc(N2CCCC2)nn1 ZINC000779428760 1298274105 /nfs/dbraw/zinc/27/41/05/1298274105.db2.gz NGHYDYIDDRTCTA-UHFFFAOYSA-N 0 0 339.443 2.526 10 10 EFCERN [NH3+][C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000903983551 1313535597 /nfs/dbraw/zinc/53/55/97/1313535597.db2.gz INKOQNRGTHWCJG-WPRPVWTQSA-N 0 0 326.721 2.896 10 10 EFCERN [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000903983871 1313536274 /nfs/dbraw/zinc/53/62/74/1313536274.db2.gz MYFPWYMJYPGLHO-MWLCHTKSSA-N 0 0 326.721 2.896 10 10 EFCERN COC(=O)CN(Cc1nc(C)oc1C)Cc1cc(Cl)ccc1O ZINC000851841152 1299429667 /nfs/dbraw/zinc/42/96/67/1299429667.db2.gz NLZJNBCEXQAKOB-UHFFFAOYSA-N 0 0 338.791 2.826 10 10 EFCERN COCCN(CCO[C@@H]1CC1(F)F)c1ccc(OC)c(OC)c1 ZINC000851847060 1299431222 /nfs/dbraw/zinc/43/12/22/1299431222.db2.gz OTIDXNAQAJWNQS-OAHLLOKOSA-N 0 0 331.359 2.581 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccccc3)C2)cc1 ZINC000851905106 1299458533 /nfs/dbraw/zinc/45/85/33/1299458533.db2.gz HWHKPKNKQGUYEK-KRWDZBQOSA-N 0 0 339.439 2.816 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3F)C2)cc1 ZINC000851907463 1299459774 /nfs/dbraw/zinc/45/97/74/1299459774.db2.gz UWVZXNDGCMQRKS-HNNXBMFYSA-N 0 0 343.402 2.912 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)Cc3ccco3)C2)cc1 ZINC000851954877 1299483956 /nfs/dbraw/zinc/48/39/56/1299483956.db2.gz QFYLRQCLNDEFBD-HUUCEWRRSA-N 0 0 343.427 2.797 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000851987346 1299492764 /nfs/dbraw/zinc/49/27/64/1299492764.db2.gz MHCDJJTYWDNYOV-VQIMIIECSA-N 0 0 331.460 2.711 10 10 EFCERN CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988418 1299492784 /nfs/dbraw/zinc/49/27/84/1299492784.db2.gz YHFQDGJQIZQVCN-GOSISDBHSA-N 0 0 344.503 2.959 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000851988307 1299493781 /nfs/dbraw/zinc/49/37/81/1299493781.db2.gz XEHHNXPXKIBXKK-AWEZNQCLSA-N 0 0 327.432 2.581 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000852083075 1299541091 /nfs/dbraw/zinc/54/10/91/1299541091.db2.gz BMDHFSNGDHPMSO-CVEARBPZSA-N 0 0 349.450 2.850 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](OC)C(C)(C)C)C2)cc1 ZINC000852164400 1299573995 /nfs/dbraw/zinc/57/39/95/1299573995.db2.gz YTTSZXGBXROEKK-RHSMWYFYSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(F)(F)F)C2)cc1 ZINC000852255383 1299618924 /nfs/dbraw/zinc/61/89/24/1299618924.db2.gz XGWSMRQTYQPZLO-RYUDHWBXSA-N 0 0 345.365 2.914 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)cc1 ZINC000852267564 1299624182 /nfs/dbraw/zinc/62/41/82/1299624182.db2.gz WGOTWDOGRSKJIT-YOEHRIQHSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)cc1 ZINC000852267561 1299624185 /nfs/dbraw/zinc/62/41/85/1299624185.db2.gz WGOTWDOGRSKJIT-PBHICJAKSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCCS3)C2)cc1 ZINC000852283997 1299631166 /nfs/dbraw/zinc/63/11/66/1299631166.db2.gz FAMJJWVLUMIMHR-RHSMWYFYSA-N 0 0 349.500 2.859 10 10 EFCERN CCSCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852309623 1299647174 /nfs/dbraw/zinc/64/71/74/1299647174.db2.gz DPANXIKKLAFRER-CQSZACIVSA-N 0 0 337.489 2.716 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCSC(C)C)C2)cc1 ZINC000852338484 1299665461 /nfs/dbraw/zinc/66/54/61/1299665461.db2.gz UTNSLOVMFAQSBM-CQSZACIVSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCC[C@H]3OC)C2)cc1 ZINC000852396951 1299689488 /nfs/dbraw/zinc/68/94/88/1299689488.db2.gz DZECTAILTRPHSO-ZTFGCOKTSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC3CC4(CCC4)C3)C2)cc1 ZINC000852401510 1299690591 /nfs/dbraw/zinc/69/05/91/1299690591.db2.gz QTEMQSCFOLYSML-CQSZACIVSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1 ZINC000852450751 1299709444 /nfs/dbraw/zinc/70/94/44/1299709444.db2.gz UROWMXHYCVFOIZ-BLLLJJGKSA-N 0 0 339.386 2.618 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)S[C@H](C)C3)C2)cc1 ZINC000852455057 1299710703 /nfs/dbraw/zinc/71/07/03/1299710703.db2.gz RYDASGJEFCBRQR-KFWWJZLASA-N 0 0 349.500 2.809 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]3C3CC3)C2)cc1 ZINC000852455080 1299711248 /nfs/dbraw/zinc/71/12/48/1299711248.db2.gz RMEGFKRLJPDQMH-QAPCUYQASA-N 0 0 329.444 2.858 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(O)c1 ZINC000852527540 1299739719 /nfs/dbraw/zinc/73/97/19/1299739719.db2.gz OZUGTMIIDODIBF-YVEFUNNKSA-N 0 0 326.396 2.928 10 10 EFCERN COC(=O)[C@@](C)(CCF)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000852578375 1299765424 /nfs/dbraw/zinc/76/54/24/1299765424.db2.gz KNICVHHXFQZTPE-OAHLLOKOSA-N 0 0 331.771 2.629 10 10 EFCERN COC(=O)[C@](C)(CCF)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000852578374 1299766507 /nfs/dbraw/zinc/76/65/07/1299766507.db2.gz KNICVHHXFQZTPE-HNNXBMFYSA-N 0 0 331.771 2.629 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCc2c(C3CCC3)cnn2C)cc1 ZINC000852608092 1299781921 /nfs/dbraw/zinc/78/19/21/1299781921.db2.gz IMESTFHMDOCSJA-UHFFFAOYSA-N 0 0 341.459 2.753 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2SCCS2)c1 ZINC000852678359 1299809296 /nfs/dbraw/zinc/80/92/96/1299809296.db2.gz BUISPJMFFOPHGW-SNVBAGLBSA-N 0 0 342.486 2.957 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCc2n[nH]cc2C1 ZINC000852968793 1299950841 /nfs/dbraw/zinc/95/08/41/1299950841.db2.gz DAVBZWLUJACRIB-UHFFFAOYSA-N 0 0 339.443 2.668 10 10 EFCERN COc1cc(O)c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853614585 1300194084 /nfs/dbraw/zinc/19/40/84/1300194084.db2.gz USUKZWUDAWYTSU-JQWIXIFHSA-N 0 0 349.349 2.951 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000853749366 1300256594 /nfs/dbraw/zinc/25/65/94/1300256594.db2.gz QKFUBIUVBQMGHC-HNAYVOBHSA-N 0 0 341.455 2.982 10 10 EFCERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759897 1300262342 /nfs/dbraw/zinc/26/23/42/1300262342.db2.gz DCMOPTVCPDJKCT-ZDUSSCGKSA-N 0 0 345.403 2.819 10 10 EFCERN CCn1cnc2c1ncnc2N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759123 1300262557 /nfs/dbraw/zinc/26/25/57/1300262557.db2.gz PNCCZAPLOOKFAK-ZDUSSCGKSA-N 0 0 338.415 2.546 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC000853762013 1300265501 /nfs/dbraw/zinc/26/55/01/1300265501.db2.gz XUCWQTSISFUXQG-LLVKDONJSA-N 0 0 332.335 2.828 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000853813115 1300288100 /nfs/dbraw/zinc/28/81/00/1300288100.db2.gz SCAJOXNGYQHSDA-HAANDJBQSA-N 0 0 348.399 2.768 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCC[C@](O)(C2CC2)C1 ZINC000853855835 1300311115 /nfs/dbraw/zinc/31/11/15/1300311115.db2.gz HQYXOQBBUAGHOR-OAHLLOKOSA-N 0 0 341.502 2.572 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853872227 1300322895 /nfs/dbraw/zinc/32/28/95/1300322895.db2.gz OPYGQHPJZJESGN-JOVKLMRISA-N 0 0 334.372 2.785 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](C4CCC4)C3)cc2N1 ZINC000853941785 1300353884 /nfs/dbraw/zinc/35/38/84/1300353884.db2.gz IMIJZPIQINYZNV-LBPRGKRZSA-N 0 0 331.372 2.942 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000853980587 1300372943 /nfs/dbraw/zinc/37/29/43/1300372943.db2.gz ITXVBTDBNQYPIK-XQRVVYSFSA-N 0 0 334.397 2.890 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853999877 1300383446 /nfs/dbraw/zinc/38/34/46/1300383446.db2.gz QTPZPLIRAKDNLF-VFZGTOFNSA-N 0 0 346.330 2.861 10 10 EFCERN COCCC1CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000854176358 1300461816 /nfs/dbraw/zinc/46/18/16/1300461816.db2.gz FLNVMMZSCZCTHY-OAHLLOKOSA-N 0 0 333.476 2.670 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3nc(C)cs3)CC2)cc1 ZINC000854197965 1300468734 /nfs/dbraw/zinc/46/87/34/1300468734.db2.gz AQXYPYXCMWWQFK-AWEZNQCLSA-N 0 0 345.468 2.912 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000854198857 1300468893 /nfs/dbraw/zinc/46/88/93/1300468893.db2.gz RMRQJGPNYOUJEV-YJBOKZPZSA-N 0 0 332.444 2.549 10 10 EFCERN O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000854240706 1300483812 /nfs/dbraw/zinc/48/38/12/1300483812.db2.gz DJUZNBAQQIUEKT-YLJYHZDGSA-N 0 0 339.391 2.592 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)cc1 ZINC000854270674 1300498029 /nfs/dbraw/zinc/49/80/29/1300498029.db2.gz OKQAOYXSDDYALE-UHFFFAOYSA-N 0 0 339.317 2.802 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)=C[C@H](C)C3)C2)cc1 ZINC000854296620 1300504511 /nfs/dbraw/zinc/50/45/11/1300504511.db2.gz FIAKKQMEQQOLIX-HOCLYGCPSA-N 0 0 329.444 2.882 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000854297152 1300504726 /nfs/dbraw/zinc/50/47/26/1300504726.db2.gz NQJVWAPGAUKWFP-DAYGRLMNSA-N 0 0 329.444 2.858 10 10 EFCERN COCC1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000854297398 1300504785 /nfs/dbraw/zinc/50/47/85/1300504785.db2.gz RLDSGSUMOWWGLO-OAHLLOKOSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)=C[C@H](C)C3)C2)cc1 ZINC000854296619 1300504952 /nfs/dbraw/zinc/50/49/52/1300504952.db2.gz FIAKKQMEQQOLIX-GOEBONIOSA-N 0 0 329.444 2.882 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)COC(C)C)C2)cc1 ZINC000854296942 1300505033 /nfs/dbraw/zinc/50/50/33/1300505033.db2.gz HURSDHIOJSGVJT-HNNXBMFYSA-N 0 0 349.475 2.777 10 10 EFCERN CCCCN(CCOC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300799 1300506218 /nfs/dbraw/zinc/50/62/18/1300506218.db2.gz AMNWITGJDOXYCK-INIZCTEOSA-N 0 0 349.475 2.732 10 10 EFCERN CC(C)[C@H](NCC(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854324154 1300519968 /nfs/dbraw/zinc/51/99/68/1300519968.db2.gz IFQVJVPWHAOOPL-HNNXBMFYSA-N 0 0 345.409 2.888 10 10 EFCERN CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1cc(Br)ccc1O ZINC000854442326 1300568859 /nfs/dbraw/zinc/56/88/59/1300568859.db2.gz OEHXDOXJMOJRPL-BONVTDFDSA-N 0 0 340.217 2.586 10 10 EFCERN C[C@H](CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000854442004 1300569055 /nfs/dbraw/zinc/56/90/55/1300569055.db2.gz CRBOZANIXDIKGU-YGRLFVJLSA-N 0 0 342.233 2.976 10 10 EFCERN COC(OC)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854464858 1300579196 /nfs/dbraw/zinc/57/91/96/1300579196.db2.gz OTVRRQHOQBKABR-AWEZNQCLSA-N 0 0 330.428 2.760 10 10 EFCERN C[C@H]1CC[N@H+](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854513500 1300601404 /nfs/dbraw/zinc/60/14/04/1300601404.db2.gz LRILINZELOPAFI-AWEZNQCLSA-N 0 0 335.411 2.677 10 10 EFCERN COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2C)c(O)c1 ZINC000795357651 1300844022 /nfs/dbraw/zinc/84/40/22/1300844022.db2.gz HTPCRGUHXLQDEM-UHFFFAOYSA-N 0 0 341.816 2.841 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4[nH]ccc4c3)C2)cc1 ZINC000855223426 1300844803 /nfs/dbraw/zinc/84/48/03/1300844803.db2.gz HDPULARYSVZLRV-OAHLLOKOSA-N 0 0 336.395 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)C2)cc1 ZINC000855222795 1300844912 /nfs/dbraw/zinc/84/49/12/1300844912.db2.gz AMOWUYOSYVFIHK-NEPJUHHUSA-N 0 0 330.350 2.979 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC34CCSCC4)C2)cc1 ZINC000855222787 1300844987 /nfs/dbraw/zinc/84/49/87/1300844987.db2.gz AHRHRQLXFYNCCT-PBHICJAKSA-N 0 0 346.496 2.923 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nc4c(s3)CCC4)C2)cc1 ZINC000855223165 1300845174 /nfs/dbraw/zinc/84/51/74/1300845174.db2.gz FQAZWXZGGOKHMY-LBPRGKRZSA-N 0 0 343.452 2.649 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)c(F)c3)C2)cc1 ZINC000855224101 1300846382 /nfs/dbraw/zinc/84/63/82/1300846382.db2.gz DDZRGBUCJDBLKY-CYBMUJFWSA-N 0 0 330.359 2.549 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCCOC(C)(C)C)C2)cc1 ZINC000855224775 1300846599 /nfs/dbraw/zinc/84/65/99/1300846599.db2.gz LAISEUXEUNUNFT-OAHLLOKOSA-N 0 0 334.460 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000855224345 1300846724 /nfs/dbraw/zinc/84/67/24/1300846724.db2.gz JWRUORCCWUPCNB-CYBMUJFWSA-N 0 0 331.441 2.777 10 10 EFCERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224109 1300846834 /nfs/dbraw/zinc/84/68/34/1300846834.db2.gz DHOZJTWFWUIOGC-FRQCXROJSA-N 0 0 346.471 2.985 10 10 EFCERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224110 1300847489 /nfs/dbraw/zinc/84/74/89/1300847489.db2.gz DHOZJTWFWUIOGC-GPMSIDNRSA-N 0 0 346.471 2.985 10 10 EFCERN COCc1ccsc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224645 1300847668 /nfs/dbraw/zinc/84/76/68/1300847668.db2.gz GSPKCCQBLBAQBZ-AWEZNQCLSA-N 0 0 346.452 2.912 10 10 EFCERN CCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1O ZINC000855227406 1300848671 /nfs/dbraw/zinc/84/86/71/1300848671.db2.gz WGCLJFCGUHGAKC-INIZCTEOSA-N 0 0 340.423 2.972 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3SCCCS3)C2)cc1 ZINC000855227103 1300848689 /nfs/dbraw/zinc/84/86/89/1300848689.db2.gz VQAIWYKSXGPJQH-LBPRGKRZSA-N 0 0 338.498 2.586 10 10 EFCERN CCc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855227323 1300848859 /nfs/dbraw/zinc/84/88/59/1300848859.db2.gz VKOAWSZHIFKNDQ-CYBMUJFWSA-N 0 0 329.400 2.563 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C/c3ccncc3)C2)cc1 ZINC000855226501 1300849038 /nfs/dbraw/zinc/84/90/38/1300849038.db2.gz SQMKERIGFAMCPI-LCJXNMAOSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccccc3O)C2)cc1 ZINC000855229953 1300850000 /nfs/dbraw/zinc/85/00/00/1300850000.db2.gz BADQLYUTXBHLEN-INIZCTEOSA-N 0 0 340.423 2.729 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC)cc3F)C2)cc1 ZINC000855229753 1300850066 /nfs/dbraw/zinc/85/00/66/1300850066.db2.gz QCSSNAYGZDSBQG-CYBMUJFWSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000855230838 1300850375 /nfs/dbraw/zinc/85/03/75/1300850375.db2.gz ZNSJYZHSQZICKT-CQSZACIVSA-N 0 0 344.386 2.852 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000855230359 1300851588 /nfs/dbraw/zinc/85/15/88/1300851588.db2.gz VPZNQBIMLVZXPQ-LLVKDONJSA-N 0 0 347.396 2.674 10 10 EFCERN COc1csc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855229839 1300851744 /nfs/dbraw/zinc/85/17/44/1300851744.db2.gz BZKOKGKFFCSMJV-GFCCVEGCSA-N 0 0 332.425 2.774 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3sc(C)nc3C)C2)cc1 ZINC000855231262 1300852142 /nfs/dbraw/zinc/85/21/42/1300852142.db2.gz JKTZBDIGIFPUEI-ZDUSSCGKSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000855231380 1300852260 /nfs/dbraw/zinc/85/22/60/1300852260.db2.gz WDKLSTYOAOKCJY-GFCCVEGCSA-N 0 0 349.818 2.583 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3(C(F)(F)F)CC3)C2)cc1 ZINC000855231016 1300852847 /nfs/dbraw/zinc/85/28/47/1300852847.db2.gz RWHXZLNSXOJNED-NSHDSACASA-N 0 0 328.334 2.733 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4n[nH]cc4c3)C2)cc1 ZINC000855232378 1300853049 /nfs/dbraw/zinc/85/30/49/1300853049.db2.gz QTYBHGRQGPKNQE-OAHLLOKOSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000855232200 1300853220 /nfs/dbraw/zinc/85/32/20/1300853220.db2.gz QSRWWILWMVBKNA-WFASDCNBSA-N 0 0 342.443 2.534 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000855231300 1300853303 /nfs/dbraw/zinc/85/33/03/1300853303.db2.gz JTNLXSPJFOASPL-CYBMUJFWSA-N 0 0 328.416 2.550 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000855231179 1300853536 /nfs/dbraw/zinc/85/35/36/1300853536.db2.gz HWJWJHFJINKNFA-ZDUSSCGKSA-N 0 0 327.384 2.569 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000855234985 1300853819 /nfs/dbraw/zinc/85/38/19/1300853819.db2.gz SOJUCGSOIGQYIB-MRXNPFEDSA-N 0 0 328.387 2.772 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(OC)c3)C2)cc1 ZINC000855234733 1300853919 /nfs/dbraw/zinc/85/39/19/1300853919.db2.gz LFFCUUXHBRRVRB-OAHLLOKOSA-N 0 0 326.396 2.713 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(N(C)C)c3)C2)cc1 ZINC000855234576 1300855220 /nfs/dbraw/zinc/85/52/20/1300855220.db2.gz FMQFKZJAALRJQU-MRXNPFEDSA-N 0 0 339.439 2.770 10 10 EFCERN CO[C@]1(CO)CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000855442464 1300957969 /nfs/dbraw/zinc/95/79/69/1300957969.db2.gz UTABXZAENTYPHB-GOSISDBHSA-N 0 0 348.468 2.769 10 10 EFCERN Cc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)c(O)c1O ZINC000855849385 1301143493 /nfs/dbraw/zinc/14/34/93/1301143493.db2.gz XZJVRBPKDQFHKQ-OAHLLOKOSA-N 0 0 331.343 2.759 10 10 EFCERN C[C@H](NCc1cc(Cl)n(C)n1)c1ccc(N2CCOCC2)cc1 ZINC000859229903 1301404510 /nfs/dbraw/zinc/40/45/10/1301404510.db2.gz PROUETNLTLMLCD-ZDUSSCGKSA-N 0 0 334.851 2.761 10 10 EFCERN O=C(Cn1ccc(C(F)F)n1)NCCCSc1nccs1 ZINC000859352205 1301439752 /nfs/dbraw/zinc/43/97/52/1301439752.db2.gz NUCVTBNFQOQQGS-UHFFFAOYSA-N 0 0 332.401 2.576 10 10 EFCERN C[C@@]1(Br)C[C@H]1C(=O)NCCCSc1nccs1 ZINC000859352016 1301440475 /nfs/dbraw/zinc/44/04/75/1301440475.db2.gz MCDYNQFYMKDKBC-GZMMTYOYSA-N 0 0 335.292 2.915 10 10 EFCERN COc1cncc(COC(=O)c2sc3nc(C)cc(C)c3c2N)n1 ZINC000859474464 1301470513 /nfs/dbraw/zinc/47/05/13/1301470513.db2.gz AMIMWRWCEYXVEP-UHFFFAOYSA-N 0 0 344.396 2.651 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000859664522 1301524150 /nfs/dbraw/zinc/52/41/50/1301524150.db2.gz DQVWECJUADLIHD-QFBILLFUSA-N 0 0 340.423 2.797 10 10 EFCERN Cc1cc(NCCNC(=O)Nc2ccc(N)cc2)nc(C(C)C)n1 ZINC000859697741 1301540472 /nfs/dbraw/zinc/54/04/72/1301540472.db2.gz KVMLIAVRQWEDGW-UHFFFAOYSA-N 0 0 328.420 2.724 10 10 EFCERN Cc1ccccc1CO[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000860235162 1301749433 /nfs/dbraw/zinc/74/94/33/1301749433.db2.gz PLASGVFNGYRXAX-AWEZNQCLSA-N 0 0 329.396 2.670 10 10 EFCERN Cc1cc(NC(=O)NCc2cc(C)ccc2O)n(C2CCOCC2)n1 ZINC000860803614 1301929115 /nfs/dbraw/zinc/92/91/15/1301929115.db2.gz VKSRWEYWPGEVMY-UHFFFAOYSA-N 0 0 344.415 2.879 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1(CCO)CC1 ZINC000861009491 1301987237 /nfs/dbraw/zinc/98/72/37/1301987237.db2.gz DYSTVWKRSFEHGY-UHFFFAOYSA-N 0 0 340.423 2.799 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCCCO)c1 ZINC000861244851 1302047853 /nfs/dbraw/zinc/04/78/53/1302047853.db2.gz ZOKBJCXWMRLVSL-UHFFFAOYSA-N 0 0 328.412 2.751 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccn(C2CCOCC2)n1 ZINC000862131168 1302291888 /nfs/dbraw/zinc/29/18/88/1302291888.db2.gz SNYKCYYLKLLPFV-UHFFFAOYSA-N 0 0 335.791 2.524 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862387156 1302360077 /nfs/dbraw/zinc/36/00/77/1302360077.db2.gz IBITUBPARQBMHR-OTYXRUKQSA-N 0 0 338.320 2.776 10 10 EFCERN CN(C)c1cc(F)c(CN2CCc3c(cccc3C(N)=O)C2)cc1F ZINC000862418933 1302377417 /nfs/dbraw/zinc/37/74/17/1302377417.db2.gz TYYHHQGUALRRHL-UHFFFAOYSA-N 0 0 345.393 2.688 10 10 EFCERN C[C@@](CO)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000862432801 1302382126 /nfs/dbraw/zinc/38/21/26/1302382126.db2.gz NSTYXFXGDVPUKZ-INIZCTEOSA-N 0 0 325.767 2.888 10 10 EFCERN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862466600 1302390879 /nfs/dbraw/zinc/39/08/79/1302390879.db2.gz PSMRIQPXCWQMFO-LBPRGKRZSA-N 0 0 340.217 2.815 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1ccc2c(c1)CCO2 ZINC000862473941 1302392489 /nfs/dbraw/zinc/39/24/89/1302392489.db2.gz DHTBYVFCMHXTQS-SFHVURJKSA-N 0 0 341.407 2.504 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(Cl)ccc1O ZINC000862474498 1302392819 /nfs/dbraw/zinc/39/28/19/1302392819.db2.gz MNEDMEJEJIBLQB-MRXNPFEDSA-N 0 0 349.814 2.928 10 10 EFCERN CCN(CC)c1ccc(CN[C@H](C[C@H]2CCCOC2)C(=O)OC)cc1 ZINC000862516519 1302403320 /nfs/dbraw/zinc/40/33/20/1302403320.db2.gz SXIFNEUTQCQVJC-IEBWSBKVSA-N 0 0 348.487 2.981 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[O-] ZINC000862529305 1302405772 /nfs/dbraw/zinc/40/57/72/1302405772.db2.gz RLZJIZASXMUVGA-XHDPSFHLSA-N 0 0 326.780 2.548 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000862650092 1302433132 /nfs/dbraw/zinc/43/31/32/1302433132.db2.gz NAORLOGUDSEORS-MOPGFXCFSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000862650094 1302433182 /nfs/dbraw/zinc/43/31/82/1302433182.db2.gz NAORLOGUDSEORS-OALUTQOASA-N 0 0 342.439 2.672 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000862650035 1302433327 /nfs/dbraw/zinc/43/33/27/1302433327.db2.gz ASWCMNMZGKOCEL-MOPGFXCFSA-N 0 0 342.439 2.672 10 10 EFCERN CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000863163458 1302544805 /nfs/dbraw/zinc/54/48/05/1302544805.db2.gz DUEQCKBHBIMPMG-APWZRJJASA-N 0 0 342.439 2.762 10 10 EFCERN CCc1nocc1/C=C1/SC(=S)N(Cc2cc(C)on2)C1=O ZINC000864357394 1302899498 /nfs/dbraw/zinc/89/94/98/1302899498.db2.gz XXPSSVSRWBIHCS-LFYBBSHMSA-N 0 0 335.410 2.935 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccccc2SC)ccc1O ZINC000797820166 1302941790 /nfs/dbraw/zinc/94/17/90/1302941790.db2.gz JJIPLIRKCZBAMI-UHFFFAOYSA-N 0 0 325.411 2.924 10 10 EFCERN C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000864509116 1302954658 /nfs/dbraw/zinc/95/46/58/1302954658.db2.gz GQTHGMLPLMGOGU-TZMCWYRMSA-N 0 0 328.206 2.888 10 10 EFCERN O=C(NCc1ccccc1O)C(O)(c1ccccc1)c1ccccc1 ZINC000748353666 1313884519 /nfs/dbraw/zinc/88/45/19/1313884519.db2.gz CJRKIQDQRBIUGR-UHFFFAOYSA-N 0 0 333.387 2.945 10 10 EFCERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000865018539 1303123191 /nfs/dbraw/zinc/12/31/91/1303123191.db2.gz MHVSRIQWVXKFON-CVEARBPZSA-N 0 0 339.439 2.899 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000865018060 1303123228 /nfs/dbraw/zinc/12/32/28/1303123228.db2.gz GOJRXHVYLCXSSA-YFYRFGBOSA-N 0 0 328.456 2.993 10 10 EFCERN CCO[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000865027402 1303127023 /nfs/dbraw/zinc/12/70/23/1303127023.db2.gz OIMHMNWSGHLNCU-WMZOPIPTSA-N 0 0 334.460 2.543 10 10 EFCERN CN1CCCc2cc(CN3C(=O)N4C5CCC4(CC5)C3=O)ccc21 ZINC000865300969 1303212345 /nfs/dbraw/zinc/21/23/45/1303212345.db2.gz HDKUXWHFVUOPJO-UHFFFAOYSA-N 0 0 325.412 2.528 10 10 EFCERN OCC1CCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2)CC1 ZINC000865427556 1303251788 /nfs/dbraw/zinc/25/17/88/1303251788.db2.gz VZSKXEWYMNJSMF-UHFFFAOYSA-N 0 0 340.471 2.717 10 10 EFCERN C[C@@H](Nc1nc2cnccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000865468829 1303270784 /nfs/dbraw/zinc/27/07/84/1303270784.db2.gz DVQMEKCJUDVKGQ-CQSZACIVSA-N 0 0 337.427 2.978 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001278288487 1313902570 /nfs/dbraw/zinc/90/25/70/1313902570.db2.gz LRTMRNXPASXOFP-MOPGFXCFSA-N 0 0 346.471 2.938 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000865785053 1303399913 /nfs/dbraw/zinc/39/99/13/1303399913.db2.gz LTBLMFYPZPFRRZ-NWDGAFQWSA-N 0 0 342.486 2.721 10 10 EFCERN CCO[C@H]1COCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000865785010 1303400381 /nfs/dbraw/zinc/40/03/81/1303400381.db2.gz LNTJVIVNKLFKHI-STQMWFEESA-N 0 0 344.502 2.573 10 10 EFCERN C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000865903382 1303447857 /nfs/dbraw/zinc/44/78/57/1303447857.db2.gz QFVYAQFWDXFTFH-IUODEOHRSA-N 0 0 326.400 2.723 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC000865904233 1303448050 /nfs/dbraw/zinc/44/80/50/1303448050.db2.gz KXVRWMDVLHKHKT-UHFFFAOYSA-N 0 0 338.333 2.800 10 10 EFCERN C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000865922111 1303455345 /nfs/dbraw/zinc/45/53/45/1303455345.db2.gz XKEFWIMTUZIFQB-BXUZGUMPSA-N 0 0 326.400 2.505 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000866006088 1303485732 /nfs/dbraw/zinc/48/57/32/1303485732.db2.gz DXCONMNNLWZBKD-DYIUODAASA-N 0 0 334.372 2.521 10 10 EFCERN CC[C@@]1(O)CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866067258 1303510910 /nfs/dbraw/zinc/51/09/10/1303510910.db2.gz VHEOONTYZQZEGO-DBWMJRBXSA-N 0 0 334.372 2.522 10 10 EFCERN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796491596 1303531451 /nfs/dbraw/zinc/53/14/51/1303531451.db2.gz QDZGZFXVHRKSGE-QMMMGPOBSA-N 0 0 338.256 2.754 10 10 EFCERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1Cc2cccc(O)c2C1 ZINC000866118143 1303532998 /nfs/dbraw/zinc/53/29/98/1303532998.db2.gz XGEULOLULLOZNA-UHFFFAOYSA-N 0 0 328.250 2.573 10 10 EFCERN CCOC(=O)Cc1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000866117922 1303533119 /nfs/dbraw/zinc/53/31/19/1303533119.db2.gz SSHZQTGUWAVZOF-UHFFFAOYSA-N 0 0 342.351 2.926 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000866129027 1303537259 /nfs/dbraw/zinc/53/72/59/1303537259.db2.gz BWPUHTVYARGWDN-SJLPKXTDSA-N 0 0 331.460 2.757 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866418647 1303631611 /nfs/dbraw/zinc/63/16/11/1303631611.db2.gz OXIIRELLRGHKPE-ZDUSSCGKSA-N 0 0 332.416 2.560 10 10 EFCERN CC[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000866437153 1303638527 /nfs/dbraw/zinc/63/85/27/1303638527.db2.gz AGUYJXLPHUSDCP-CQSZACIVSA-N 0 0 327.396 2.930 10 10 EFCERN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866441973 1303641526 /nfs/dbraw/zinc/64/15/26/1303641526.db2.gz BFMPMFPZGJCXDW-LHLIQPBNSA-N 0 0 342.155 2.961 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccncc3)CC2)cc1F ZINC000866458825 1303648193 /nfs/dbraw/zinc/64/81/93/1303648193.db2.gz BWXHSRGIYVBGKO-CQSZACIVSA-N 0 0 343.402 2.682 10 10 EFCERN CON1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000866595692 1303703491 /nfs/dbraw/zinc/70/34/91/1303703491.db2.gz KMJLTJRIKMDKOK-UHFFFAOYSA-N 0 0 344.411 2.787 10 10 EFCERN Cc1cn(C2CCOCC2)nc1C(=O)N(C)Cc1ccccc1O ZINC000866596169 1303703628 /nfs/dbraw/zinc/70/36/28/1303703628.db2.gz CBKFUBWBAMBSBD-UHFFFAOYSA-N 0 0 329.400 2.521 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Cc1cnn2c1CCCC2 ZINC000866598511 1303704668 /nfs/dbraw/zinc/70/46/68/1303704668.db2.gz GHWQEXCPVNTWNI-UHFFFAOYSA-N 0 0 327.428 2.906 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)C1CCOCC1 ZINC000866598859 1303705157 /nfs/dbraw/zinc/70/51/57/1303705157.db2.gz SVMBTWHOXQEBPZ-SFHVURJKSA-N 0 0 335.444 2.963 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC[C@H]1OCC ZINC000866599013 1303706121 /nfs/dbraw/zinc/70/61/21/1303706121.db2.gz XRYNLUWNXGRNEE-CRAIPNDOSA-N 0 0 335.444 2.963 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000866765663 1303784228 /nfs/dbraw/zinc/78/42/28/1303784228.db2.gz YLPSEVQVJHEHDH-CLUVUEOHSA-N 0 0 349.427 2.946 10 10 EFCERN CCO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCOCC1 ZINC000866771257 1303786813 /nfs/dbraw/zinc/78/68/13/1303786813.db2.gz OZRPUJPWAOCZIR-LJQANCHMSA-N 0 0 347.455 2.719 10 10 EFCERN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(-n2cncn2)cc1 ZINC000748461302 1313938498 /nfs/dbraw/zinc/93/84/98/1313938498.db2.gz VJVFYKJTCOEVCS-ZDUSSCGKSA-N 0 0 337.383 2.533 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccccc1O ZINC000867833890 1303977970 /nfs/dbraw/zinc/97/79/70/1303977970.db2.gz FRVIPZIIDXMTAZ-RYUDHWBXSA-N 0 0 333.409 2.755 10 10 EFCERN COCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867833787 1303978054 /nfs/dbraw/zinc/97/80/54/1303978054.db2.gz ALDLUXICAHIRTN-ZDUSSCGKSA-N 0 0 335.425 2.621 10 10 EFCERN CCCCn1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)n1 ZINC000867836158 1303978950 /nfs/dbraw/zinc/97/89/50/1303978950.db2.gz HUNQSVCSEOSSLJ-LBPRGKRZSA-N 0 0 337.445 2.737 10 10 EFCERN C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867835314 1303979310 /nfs/dbraw/zinc/97/93/10/1303979310.db2.gz WPIWYMZVMOTPTG-NXEZZACHSA-N 0 0 325.352 2.961 10 10 EFCERN C[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccccc1O ZINC000867836523 1303979484 /nfs/dbraw/zinc/97/94/84/1303979484.db2.gz WHFGPSWXAMOQOT-NEPJUHHUSA-N 0 0 335.429 2.526 10 10 EFCERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000868020183 1304080644 /nfs/dbraw/zinc/08/06/44/1304080644.db2.gz IQMSRSKLLBBIEU-STQMWFEESA-N 0 0 343.431 2.832 10 10 EFCERN COCCOc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868060864 1304102933 /nfs/dbraw/zinc/10/29/33/1304102933.db2.gz FFZIBGYSSMDAMY-CQSZACIVSA-N 0 0 344.411 2.978 10 10 EFCERN CC(C)(F)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000868115703 1304134505 /nfs/dbraw/zinc/13/45/05/1304134505.db2.gz CUYHFPRKRABNND-UHFFFAOYSA-N 0 0 325.453 2.787 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC12CC2 ZINC000868115624 1304134661 /nfs/dbraw/zinc/13/46/61/1304134661.db2.gz AMUKSTSPQGNPIW-QGZVFWFLSA-N 0 0 347.434 2.794 10 10 EFCERN C[C@H](NC(=O)NCCC(=O)NC1CCCCC1)c1ccccc1O ZINC000868126864 1304141098 /nfs/dbraw/zinc/14/10/98/1304141098.db2.gz ZWFLJGXYVKCPEN-ZDUSSCGKSA-N 0 0 333.432 2.591 10 10 EFCERN O=C(NCCCCC1CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000868129324 1304143325 /nfs/dbraw/zinc/14/33/25/1304143325.db2.gz AXNNOLCGGNBXRT-UHFFFAOYSA-N 0 0 331.460 2.903 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C(=O)N1CCCC[C@@H]1C ZINC000868195552 1304183007 /nfs/dbraw/zinc/18/30/07/1304183007.db2.gz UFJRYJRSIOIKHW-MELADBBJSA-N 0 0 333.432 2.542 10 10 EFCERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(=O)N1CCCC[C@@H]1C ZINC000868195549 1304183246 /nfs/dbraw/zinc/18/32/46/1304183246.db2.gz UFJRYJRSIOIKHW-IHRRRGAJSA-N 0 0 333.432 2.542 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000868234582 1304201693 /nfs/dbraw/zinc/20/16/93/1304201693.db2.gz VNMXILKIIFHCIF-QWHCGFSZSA-N 0 0 349.431 2.762 10 10 EFCERN Nc1ccc(NC(=O)C(=O)N2CCC[C@@](F)(c3ccccc3)C2)cc1 ZINC000868300497 1304232628 /nfs/dbraw/zinc/23/26/28/1304232628.db2.gz INMPWHLKWWPSME-IBGZPJMESA-N 0 0 341.386 2.695 10 10 EFCERN COC(=O)[C@@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000796499888 1304232766 /nfs/dbraw/zinc/23/27/66/1304232766.db2.gz ZIDDSDBNFYBLRB-CQSZACIVSA-N 0 0 346.402 2.909 10 10 EFCERN C[C@H](NC(=O)NCCOc1ncccc1Cl)c1ccccc1O ZINC000868402332 1304279881 /nfs/dbraw/zinc/27/98/81/1304279881.db2.gz FOPFHJXMXHAEAR-NSHDSACASA-N 0 0 335.791 2.880 10 10 EFCERN C[C@H](NC(=O)NCCOc1ccc(Cl)cn1)c1ccccc1O ZINC000868402619 1304280118 /nfs/dbraw/zinc/28/01/18/1304280118.db2.gz OFTWHOJBUORLDD-NSHDSACASA-N 0 0 335.791 2.880 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1ccnn1C ZINC000868711206 1304435416 /nfs/dbraw/zinc/43/54/16/1304435416.db2.gz QAEMPTDUCQPOHP-HUUCEWRRSA-N 0 0 343.475 2.786 10 10 EFCERN C[C@H](NC(=O)NCc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000868760941 1304460202 /nfs/dbraw/zinc/46/02/02/1304460202.db2.gz GKGZYXGZNNRPPL-VIFPVBQESA-N 0 0 340.305 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CCCS3)C2)cc1 ZINC000868762835 1304461116 /nfs/dbraw/zinc/46/11/16/1304461116.db2.gz VVTOANAQVHPZTO-PBHICJAKSA-N 0 0 349.500 2.859 10 10 EFCERN C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1O ZINC000868775054 1304468469 /nfs/dbraw/zinc/46/84/69/1304468469.db2.gz VGPCARXZWMAOTN-YVLXSGLVSA-N 0 0 326.343 2.567 10 10 EFCERN C[C@H]1CCn2cc(C(=O)NCc3ccc4cccnc4c3O)nc2C1 ZINC000868937482 1304541897 /nfs/dbraw/zinc/54/18/97/1304541897.db2.gz KFDVLIIBRRMZKP-LBPRGKRZSA-N 0 0 336.395 2.649 10 10 EFCERN O=C(NCc1ccnc(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000868954769 1304546740 /nfs/dbraw/zinc/54/67/40/1304546740.db2.gz DQLLIUGHEBGMOW-UHFFFAOYSA-N 0 0 329.375 2.805 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)c3ccncc3)C2)cc1 ZINC000868955499 1304548180 /nfs/dbraw/zinc/54/81/80/1304548180.db2.gz LFCGJVVPVDFTBS-HZPDHXFCSA-N 0 0 339.439 2.836 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1 ZINC000868957186 1304548957 /nfs/dbraw/zinc/54/89/57/1304548957.db2.gz XTIUAWZPQJEBJJ-ZTNFWEORSA-N 0 0 344.455 2.597 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000868966264 1304552658 /nfs/dbraw/zinc/55/26/58/1304552658.db2.gz MMXQSDDEQZODHV-ARLBYUKCSA-N 0 0 331.412 2.576 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC000869000564 1304571067 /nfs/dbraw/zinc/57/10/67/1304571067.db2.gz LSZGTJXSOYHBFI-YJBOKZPZSA-N 0 0 349.450 2.896 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC23CCOCC3)c1 ZINC000869029063 1304582845 /nfs/dbraw/zinc/58/28/45/1304582845.db2.gz TYLIUHZTHDEIPF-KGLIPLIRSA-N 0 0 348.443 2.968 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000869044763 1304587945 /nfs/dbraw/zinc/58/79/45/1304587945.db2.gz QJIBWCYNJUTNHH-HOTGVXAUSA-N 0 0 349.450 2.754 10 10 EFCERN C[C@@H](NC(=O)NC[C@@H]1CC(=O)c2ccccc2O1)c1ccccc1O ZINC000869089319 1304608675 /nfs/dbraw/zinc/60/86/75/1304608675.db2.gz IRCTUQWOHOMXIP-OLZOCXBDSA-N 0 0 340.379 2.786 10 10 EFCERN CC(C)(C)n1cccc(C(=O)NCc2cc(Cl)ccc2O)c1=O ZINC000869146462 1304631944 /nfs/dbraw/zinc/63/19/44/1304631944.db2.gz ITYJRNCNYQGTJI-UHFFFAOYSA-N 0 0 334.803 2.892 10 10 EFCERN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccnn1C ZINC000869177562 1304645150 /nfs/dbraw/zinc/64/51/50/1304645150.db2.gz ADTIROLHGFBGSI-GFCCVEGCSA-N 0 0 328.416 2.565 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)CC2)c(OC)c1 ZINC000870165927 1305185349 /nfs/dbraw/zinc/18/53/49/1305185349.db2.gz PTMPUNMUGHMNMM-YVWYUNDQSA-N 0 0 344.455 2.789 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)c(OC)c1 ZINC000870167690 1305186090 /nfs/dbraw/zinc/18/60/90/1305186090.db2.gz OKPAWVFBPDCAMU-CVEARBPZSA-N 0 0 332.444 2.645 10 10 EFCERN CC1(C)C[C@@H](O)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000870983550 1305726253 /nfs/dbraw/zinc/72/62/53/1305726253.db2.gz WEHUHRYKPGTIGD-CQSZACIVSA-N 0 0 345.468 2.549 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000871044067 1305764586 /nfs/dbraw/zinc/76/45/86/1305764586.db2.gz DLIYBQOZBIQHGK-JKNJVXJCSA-N 0 0 331.412 2.967 10 10 EFCERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871199605 1305886427 /nfs/dbraw/zinc/88/64/27/1305886427.db2.gz ZKSRRBIEAFGJNZ-CQSZACIVSA-N 0 0 332.400 2.634 10 10 EFCERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199549 1305886748 /nfs/dbraw/zinc/88/67/48/1305886748.db2.gz YUCCJLTUJDTPHD-UHFFFAOYSA-N 0 0 342.351 2.920 10 10 EFCERN CC(C)(C)OC(=O)N(CC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871202585 1305888981 /nfs/dbraw/zinc/88/89/81/1305888981.db2.gz BLYQTVDQODYNAH-UHFFFAOYSA-N 0 0 332.400 2.634 10 10 EFCERN CC(C)(C)OC(=O)N(CC(=O)N1Cc2cccc(O)c2C1)CC1CC1 ZINC000871203058 1305889004 /nfs/dbraw/zinc/88/90/04/1305889004.db2.gz QVWFSKASTBOIMB-UHFFFAOYSA-N 0 0 346.427 2.882 10 10 EFCERN O=C(c1ccnc(OCC(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC000871203302 1305889076 /nfs/dbraw/zinc/88/90/76/1305889076.db2.gz WZRWVDRDTDORBL-UHFFFAOYSA-N 0 0 338.285 2.884 10 10 EFCERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202865 1305889291 /nfs/dbraw/zinc/88/92/91/1305889291.db2.gz HNOQTAZDIKOOJM-GFCCVEGCSA-N 0 0 334.416 2.737 10 10 EFCERN C[C@@](O)(CSc1cccc(F)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204707 1305890479 /nfs/dbraw/zinc/89/04/79/1305890479.db2.gz IEMHLKLEQJIMIG-GOSISDBHSA-N 0 0 347.411 2.917 10 10 EFCERN CCOC(=O)C1CCC(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871206046 1305890771 /nfs/dbraw/zinc/89/07/71/1305890771.db2.gz PNHOGFGLIPJHEB-UHFFFAOYSA-N 0 0 331.412 2.994 10 10 EFCERN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205497 1305890802 /nfs/dbraw/zinc/89/08/02/1305890802.db2.gz UMKPXVJUCWMNDG-OAHLLOKOSA-N 0 0 346.427 2.880 10 10 EFCERN O=C([C@H]1CCO[C@@H](c2ccccc2)O1)N1Cc2cccc(O)c2C1 ZINC000871204547 1305890946 /nfs/dbraw/zinc/89/09/46/1305890946.db2.gz GHHAYXOBVFSPOJ-IEBWSBKVSA-N 0 0 325.364 2.739 10 10 EFCERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205405 1305891332 /nfs/dbraw/zinc/89/13/32/1305891332.db2.gz ZRXQUNUPULUHNX-VXGBXAGGSA-N 0 0 334.416 2.784 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000900027600 1307614499 /nfs/dbraw/zinc/61/44/99/1307614499.db2.gz UPPZRUPRNKJCJX-TYKWCNGQSA-N 0 0 338.451 2.804 10 10 EFCERN Cc1cc(CCNC(=O)/C=C\Cn2cncn2)c(C)n1-c1ccccc1 ZINC000900031340 1307615692 /nfs/dbraw/zinc/61/56/92/1307615692.db2.gz GYQIWIOGGDIMKP-TWGQIWQCSA-N 0 0 349.438 2.601 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2nccc2n1 ZINC000900292662 1307900122 /nfs/dbraw/zinc/90/01/22/1307900122.db2.gz FYBRMAJJFJXMNT-UHFFFAOYSA-N 0 0 337.427 2.846 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3c(C)[nH]nc3Cl)CC2)cc1 ZINC000900295181 1307904023 /nfs/dbraw/zinc/90/40/23/1307904023.db2.gz YCDDYMFUOJQXNX-UHFFFAOYSA-N 0 0 348.834 2.733 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(C2CCOCC2)C1 ZINC000800708847 1308280796 /nfs/dbraw/zinc/28/07/96/1308280796.db2.gz YTNQPICIRWUHHS-UHFFFAOYSA-N 0 0 341.455 2.631 10 10 EFCERN C[C@H](NC(=O)N1CC(C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000800715280 1308287354 /nfs/dbraw/zinc/28/73/54/1308287354.db2.gz LULDANXIVIUITL-AWEZNQCLSA-N 0 0 331.460 2.882 10 10 EFCERN COc1ccc(N2CCN(c3nc([C@@H](C)OC)ns3)CC2)cc1 ZINC000800845229 1308541338 /nfs/dbraw/zinc/54/13/38/1308541338.db2.gz HHRPHIFFWBEOHO-GFCCVEGCSA-N 0 0 334.445 2.581 10 10 EFCERN CCC/C=C\[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901173649 1309695832 /nfs/dbraw/zinc/69/58/32/1309695832.db2.gz ACWCSGMUEFVCIK-FGPHSXKVSA-N 0 0 333.428 2.617 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C/c1cc2c(cccc2O)s1 ZINC000901444054 1310491049 /nfs/dbraw/zinc/49/10/49/1310491049.db2.gz TUXMQJDUVNTMGG-NTEUORMPSA-N 0 0 346.433 2.909 10 10 EFCERN CCCC[N@H+](CCn1nc2ccccn2c1=O)Cc1ccccc1O ZINC000801596355 1310571472 /nfs/dbraw/zinc/57/14/72/1310571472.db2.gz WKVGLXCFDZXJGC-UHFFFAOYSA-N 0 0 340.427 2.504 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)n(C)n1 ZINC000801720287 1310794318 /nfs/dbraw/zinc/79/43/18/1310794318.db2.gz UZZBTEMBKKRGHZ-UHFFFAOYSA-N 0 0 332.404 2.969 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CSC3(C)C)CC2)cc1 ZINC000801795672 1310927239 /nfs/dbraw/zinc/92/72/39/1310927239.db2.gz AENVRKFDEPLFOB-MRXNPFEDSA-N 0 0 349.500 2.857 10 10 EFCERN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000802312206 1311552537 /nfs/dbraw/zinc/55/25/37/1311552537.db2.gz FFHIYPBOCBCZJG-XWCIJXRUSA-N 0 0 341.398 2.889 10 10 EFCERN O=C(NCCc1ccc2ccccc2n1)c1c(F)ccc(O)c1O ZINC001160598836 1311743868 /nfs/dbraw/zinc/74/38/68/1311743868.db2.gz AASRHSLNJUAXKJ-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN CC(C)(C)n1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001161066318 1311850785 /nfs/dbraw/zinc/85/07/85/1311850785.db2.gz MKFRQAPCXMWHQT-UHFFFAOYSA-N 0 0 332.385 2.911 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCO[C@H](C(F)F)C2)c1 ZINC000802654618 1311888106 /nfs/dbraw/zinc/88/81/06/1311888106.db2.gz YIAILYSGJMTJJT-NSHDSACASA-N 0 0 336.176 2.929 10 10 EFCERN CCc1cc(N(C)Cc2ccc(N3CCCC3)cc2)n2ncnc2n1 ZINC001162062264 1312040108 /nfs/dbraw/zinc/04/01/08/1312040108.db2.gz NMPXWTDUNXGTQL-UHFFFAOYSA-N 0 0 336.443 2.923 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc2c[nH]nc2c1 ZINC001162116366 1312050768 /nfs/dbraw/zinc/05/07/68/1312050768.db2.gz ZFKBTWLOLVBPEA-CYBMUJFWSA-N 0 0 337.427 2.693 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(CC(N)=O)CC1 ZINC001162271713 1312079050 /nfs/dbraw/zinc/07/90/50/1312079050.db2.gz OOSBVXJALAWXOG-UHFFFAOYSA-N 0 0 339.439 2.788 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC(=O)c2cccn21 ZINC001162612381 1312135769 /nfs/dbraw/zinc/13/57/69/1312135769.db2.gz INZDSJAVPGEGMF-OAHLLOKOSA-N 0 0 335.363 2.576 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000903025831 1312291036 /nfs/dbraw/zinc/29/10/36/1312291036.db2.gz FNZPDPCKYGUION-CQSZACIVSA-N 0 0 346.818 2.725 10 10 EFCERN C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000903154282 1312414653 /nfs/dbraw/zinc/41/46/53/1312414653.db2.gz KTALPQFDVDBSRP-DCBWTQNWSA-N 0 0 329.437 2.785 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOC[C@H]2CC2CC2)c([N+](=O)[O-])c1 ZINC001164201179 1312466469 /nfs/dbraw/zinc/46/64/69/1312466469.db2.gz VAYLTYMCCWVEII-ZQMJAJRESA-N 0 0 346.383 2.786 10 10 EFCERN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000903260920 1312516038 /nfs/dbraw/zinc/51/60/38/1312516038.db2.gz STAWLLHUXBQZQS-JEUQWKINSA-N 0 0 345.212 2.598 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293256 1312544296 /nfs/dbraw/zinc/54/42/96/1312544296.db2.gz RJBJWIUYXSEOCL-RHSMWYFYSA-N 0 0 343.423 2.823 10 10 EFCERN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327719 1312573241 /nfs/dbraw/zinc/57/32/41/1312573241.db2.gz XWESYVIXLWKTRV-BZNIZROVSA-N 0 0 327.384 2.771 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]c1=O)CCCC2=O ZINC001165497176 1312637993 /nfs/dbraw/zinc/63/79/93/1312637993.db2.gz AICCARHQFKOKSL-UHFFFAOYSA-N 0 0 346.770 2.595 10 10 EFCERN COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC001165618124 1312653760 /nfs/dbraw/zinc/65/37/60/1312653760.db2.gz MWYAXJKSZFUVCA-DZFYGRHCSA-N 0 0 343.379 2.624 10 10 EFCERN O=C(NCc1ncccc1Br)N1Cc2cccc(O)c2C1 ZINC001251589709 1315357001 /nfs/dbraw/zinc/35/70/01/1315357001.db2.gz YTEAHYSOTXWSCE-UHFFFAOYSA-N 0 0 348.200 2.775 10 10 EFCERN C[C@@H]1SCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000827650228 1316009732 /nfs/dbraw/zinc/00/97/32/1316009732.db2.gz PGXMOCVQIHYERJ-GZMMTYOYSA-N 0 0 345.262 2.848 10 10 EFCERN CCOC(=O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877088 1316024947 /nfs/dbraw/zinc/02/49/47/1316024947.db2.gz DCQAIUDTEUUHCU-IBGZPJMESA-N 0 0 346.471 2.749 10 10 EFCERN COc1ccc2c(CC(=O)NCc3ccc(O)cc3O)coc2c1 ZINC001299571563 1316225901 /nfs/dbraw/zinc/22/59/01/1316225901.db2.gz ZDFGUAGTBMAJLI-UHFFFAOYSA-N 0 0 327.336 2.712 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(-c2ccco2)n[nH]1 ZINC001299721696 1316378090 /nfs/dbraw/zinc/37/80/90/1316378090.db2.gz QHCWRDXOEKANDA-UHFFFAOYSA-N 0 0 334.335 2.854 10 10 EFCERN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)C2=CC(=O)CS2)n1 ZINC001261751869 1316428815 /nfs/dbraw/zinc/42/88/15/1316428815.db2.gz LBDZKMCYIXLKNS-NSHDSACASA-N 0 0 337.401 2.807 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@H](CC(=O)[O-])C2CCOCC2)cc1 ZINC001262163548 1316450395 /nfs/dbraw/zinc/45/03/95/1316450395.db2.gz XCEZGXRMGMZGRB-OAJJDEHYSA-N 0 0 332.444 2.625 10 10 EFCERN COCCOC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000586479641 1316549200 /nfs/dbraw/zinc/54/92/00/1316549200.db2.gz XDXDJRFNUGDBRM-UHFFFAOYSA-N 0 0 325.320 2.657 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc3c(n2)OCCO3)cc1 ZINC001264670152 1316651302 /nfs/dbraw/zinc/65/13/02/1316651302.db2.gz UDXUKKHJGYYSII-UHFFFAOYSA-N 0 0 341.411 2.629 10 10 EFCERN C/C(=C\C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21)c1cnccn1 ZINC001265586029 1316829268 /nfs/dbraw/zinc/82/92/68/1316829268.db2.gz YEMJXJMMTUONEC-JMPLCFMRSA-N 0 0 345.406 2.907 10 10 EFCERN CCCC[C@H](CNC(=O)CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280595236 1317639896 /nfs/dbraw/zinc/63/98/96/1317639896.db2.gz FBVTZOLIWKXNEQ-CQSZACIVSA-N 0 0 347.419 2.664 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2ccccc2F)cc1 ZINC001290552808 1321923044 /nfs/dbraw/zinc/92/30/44/1321923044.db2.gz APBYVOSKQWEWFL-UHFFFAOYSA-N 0 0 330.319 2.797 10 10 EFCERN COC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCCC1 ZINC001290596651 1321934888 /nfs/dbraw/zinc/93/48/88/1321934888.db2.gz VHJGXPKNRXQBGT-UHFFFAOYSA-N 0 0 346.387 2.845 10 10 EFCERN Cc1cc(C(=O)N2NC(=O)C[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001290610064 1321936311 /nfs/dbraw/zinc/93/63/11/1321936311.db2.gz PELLXGHVHZQBPW-AWEZNQCLSA-N 0 0 325.412 2.977 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)n(Cc2ccccc2)n1 ZINC001291919823 1322023425 /nfs/dbraw/zinc/02/34/25/1322023425.db2.gz LZTZYKOLEPGESD-UHFFFAOYSA-N 0 0 337.379 2.832 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1onc2ccccc21 ZINC001292066760 1322033901 /nfs/dbraw/zinc/03/39/01/1322033901.db2.gz ZHGAVKHFEBIUSS-UHFFFAOYSA-N 0 0 337.379 2.594 10 10 EFCERN COc1nc(C)cc(C)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001292782126 1322120467 /nfs/dbraw/zinc/12/04/67/1322120467.db2.gz VAQZNMUTZPAQKR-UHFFFAOYSA-N 0 0 341.371 2.799 10 10 EFCERN C[C@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001293622132 1322301059 /nfs/dbraw/zinc/30/10/59/1322301059.db2.gz SLLMLAFMVGBLCV-SFHVURJKSA-N 0 0 343.404 2.950 10 10 EFCERN CCCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001294260936 1322441157 /nfs/dbraw/zinc/44/11/57/1322441157.db2.gz JGAQUGJKYZSXDH-UHFFFAOYSA-N 0 0 343.475 2.860 10 10 EFCERN COc1cc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)ccc1O ZINC001294673483 1322541890 /nfs/dbraw/zinc/54/18/90/1322541890.db2.gz ATODEMGKJLWGRK-UHFFFAOYSA-N 0 0 342.355 2.835 10 10 EFCERN COc1cccc(CNC(=O)c2cccc3c2OC(F)(F)O3)c1O ZINC001294924395 1322600248 /nfs/dbraw/zinc/60/02/48/1322600248.db2.gz CKPRMXKILFFKEO-UHFFFAOYSA-N 0 0 337.278 2.652 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)C[C@H]3C)CC2)cc1 ZINC001295272761 1322669693 /nfs/dbraw/zinc/66/96/93/1322669693.db2.gz PJBXEISCNVWGMH-DNVCBOLYSA-N 0 0 344.455 2.739 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCCOCC2)cc1 ZINC001295409188 1322695938 /nfs/dbraw/zinc/69/59/38/1322695938.db2.gz AJIQKWFMHLXTNR-UHFFFAOYSA-N 0 0 343.475 2.708 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c(C=O)cc1F ZINC001296245754 1322872583 /nfs/dbraw/zinc/87/25/83/1322872583.db2.gz HFJWEPCRGFEELS-VIFPVBQESA-N 0 0 335.306 2.550 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001296754265 1323003886 /nfs/dbraw/zinc/00/38/86/1323003886.db2.gz UBULLUPUESGNAQ-YJBOKZPZSA-N 0 0 327.380 2.677 10 10 EFCERN Cn1c2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2[nH]c1=O ZINC001296831638 1323021189 /nfs/dbraw/zinc/02/11/89/1323021189.db2.gz IPPMNUZHCHJEKM-UHFFFAOYSA-N 0 0 338.327 2.694 10 10 EFCERN Cc1ccc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001297058258 1323079396 /nfs/dbraw/zinc/07/93/96/1323079396.db2.gz YAHNNPCTQUVIGM-HNNXBMFYSA-N 0 0 326.356 2.621 10 10 EFCERN Cc1nc2ccc(NC(=O)c3cc4cc(O)c(O)cc4s3)cn2n1 ZINC001297140003 1323100113 /nfs/dbraw/zinc/10/01/13/1323100113.db2.gz JOCIOBLMFZQEHP-UHFFFAOYSA-N 0 0 340.364 2.916 10 10 EFCERN CN(C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001297272917 1323145147 /nfs/dbraw/zinc/14/51/47/1323145147.db2.gz SYMVCGCJSXWDPL-UHFFFAOYSA-N 0 0 334.803 2.994 10 10 EFCERN COC1(CCn2c(C)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001299792261 1323707350 /nfs/dbraw/zinc/70/73/50/1323707350.db2.gz XECSRYHUYPPSEJ-UHFFFAOYSA-N 0 0 330.432 2.888 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](O)C3(CC3)C2)c(C)n1-c1cccc(F)c1 ZINC001320471302 1329139127 /nfs/dbraw/zinc/13/91/27/1329139127.db2.gz DBCXVTOLFJTABI-IBGZPJMESA-N 0 0 342.414 2.873 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1cnoc1 ZINC001300927816 1324515322 /nfs/dbraw/zinc/51/53/22/1324515322.db2.gz FXHZFWLRMUYOKR-UHFFFAOYSA-N 0 0 337.379 2.867 10 10 EFCERN Cc1nnc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001301303455 1324536749 /nfs/dbraw/zinc/53/67/49/1324536749.db2.gz ORAXCIORJRLZTC-UHFFFAOYSA-N 0 0 335.410 2.745 10 10 EFCERN C[C@@H](NC(=O)c1ccccc1S[C@H](C)C(N)=O)c1ccccc1O ZINC001302530165 1324579483 /nfs/dbraw/zinc/57/94/83/1324579483.db2.gz CKBYTNPDMMJPHT-VXGBXAGGSA-N 0 0 344.436 2.849 10 10 EFCERN O=C(Cc1nc(C(F)(F)F)cs1)N1Cc2cccc(O)c2C1 ZINC001302789777 1324587523 /nfs/dbraw/zinc/58/75/23/1324587523.db2.gz ZXKXKYZZSIAGTO-UHFFFAOYSA-N 0 0 328.315 2.952 10 10 EFCERN O=C(c1cn(-c2ccccc2Cl)nn1)N1Cc2cccc(O)c2C1 ZINC001302786321 1324587655 /nfs/dbraw/zinc/58/76/55/1324587655.db2.gz HUPAQWRYZAWOKP-UHFFFAOYSA-N 0 0 340.770 2.782 10 10 EFCERN CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(O)c2O)c1C(C)C ZINC001303194474 1324596561 /nfs/dbraw/zinc/59/65/61/1324596561.db2.gz CQNJKYATYBTZKP-UHFFFAOYSA-N 0 0 330.384 2.990 10 10 EFCERN CCCOc1cc(OC)ccc1C(=O)NCc1cc(O)ccc1O ZINC001303225892 1324599150 /nfs/dbraw/zinc/59/91/50/1324599150.db2.gz QVEXRYXVGWSKKC-UHFFFAOYSA-N 0 0 331.368 2.825 10 10 EFCERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001303849388 1324622905 /nfs/dbraw/zinc/62/29/05/1324622905.db2.gz RYISNROFKBNASO-NSHDSACASA-N 0 0 348.403 2.947 10 10 EFCERN COc1ccc(OC(C)(C)C(=O)NCc2c(O)cccc2O)cc1 ZINC001304053214 1324634958 /nfs/dbraw/zinc/63/49/58/1324634958.db2.gz DTWBYVKWWNXFMH-UHFFFAOYSA-N 0 0 331.368 2.580 10 10 EFCERN CO[C@@H](C(=O)NCc1c(O)ccc2ccccc21)C(=O)OC(C)(C)C ZINC001304090675 1324637318 /nfs/dbraw/zinc/63/73/18/1324637318.db2.gz NJKIHNYFXXZXGD-INIZCTEOSA-N 0 0 345.395 2.518 10 10 EFCERN O=C(CSc1cccc[n+]1[O-])NCc1c(O)ccc2ccccc21 ZINC001304090043 1324637373 /nfs/dbraw/zinc/63/73/73/1324637373.db2.gz WFKLEGIZYFHIFF-UHFFFAOYSA-N 0 0 340.404 2.587 10 10 EFCERN COc1cc(CO)ccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090425 1324637535 /nfs/dbraw/zinc/63/75/35/1324637535.db2.gz HSEFUVJHPFKYNC-UHFFFAOYSA-N 0 0 337.375 2.976 10 10 EFCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(-c2ccco2)n1 ZINC001305084754 1324672378 /nfs/dbraw/zinc/67/23/78/1324672378.db2.gz MRGONSPDSZNDIA-UHFFFAOYSA-N 0 0 331.759 2.969 10 10 EFCERN CCC(C)(C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386639 1324676676 /nfs/dbraw/zinc/67/66/76/1324676676.db2.gz BBEHJZIHPHNDJV-CQSZACIVSA-N 0 0 332.444 2.706 10 10 EFCERN COC(=O)C[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001305368691 1324682039 /nfs/dbraw/zinc/68/20/39/1324682039.db2.gz FGAZUURFHSHXQM-ZDUSSCGKSA-N 0 0 328.412 2.704 10 10 EFCERN CN(C)c1ccc(CN(c2nc(N)nc(Cl)c2N)C2CC2)cc1 ZINC001306937209 1324733856 /nfs/dbraw/zinc/73/38/56/1324733856.db2.gz KERXXOATKFWCAW-UHFFFAOYSA-N 0 0 332.839 2.529 10 10 EFCERN COC(=O)NCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307121010 1324742829 /nfs/dbraw/zinc/74/28/29/1324742829.db2.gz RTPLLFFIDMBVHJ-UHFFFAOYSA-N 0 0 343.339 2.594 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@](OC)(C(=O)[O-])C2)cc1 ZINC000901542726 1324746715 /nfs/dbraw/zinc/74/67/15/1324746715.db2.gz SALHYEBRDWHIPI-IBGZPJMESA-N 0 0 334.460 2.989 10 10 EFCERN Oc1cccc(F)c1CNc1cc(C(F)(F)F)nc2ncnn21 ZINC001307214732 1324751299 /nfs/dbraw/zinc/75/12/99/1324751299.db2.gz QXDNAZYLUASKLQ-UHFFFAOYSA-N 0 0 327.241 2.600 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC001307878738 1324783844 /nfs/dbraw/zinc/78/38/44/1324783844.db2.gz XCQCRGJNPSWATC-GMTAPVOTSA-N 0 0 338.835 2.688 10 10 EFCERN CN(C)c1cc(F)c(C[NH2+]CCc2ccc(CC(=O)[O-])cc2)cc1F ZINC000904057692 1324861694 /nfs/dbraw/zinc/86/16/94/1324861694.db2.gz YSDAEPHORCJDBJ-UHFFFAOYSA-N 0 0 348.393 2.990 10 10 EFCERN COC1([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])CCC1 ZINC000904051174 1324862319 /nfs/dbraw/zinc/86/23/19/1324862319.db2.gz SILMLTNGAGIPOK-KRWDZBQOSA-N 0 0 332.444 2.789 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001312388608 1324984942 /nfs/dbraw/zinc/98/49/42/1324984942.db2.gz VRYZDZQDIBOCKP-HNNXBMFYSA-N 0 0 334.416 2.609 10 10 EFCERN Cc1c(CNC(=O)NCc2c(O)cccc2F)cccc1[N+](=O)[O-] ZINC001312493306 1324987300 /nfs/dbraw/zinc/98/73/00/1324987300.db2.gz VYGMZPBSAGGZJZ-UHFFFAOYSA-N 0 0 333.319 2.747 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CSC2(C)C)cc1 ZINC001312569215 1324989388 /nfs/dbraw/zinc/98/93/88/1324989388.db2.gz ONRFSBTYRGNABL-OAHLLOKOSA-N 0 0 337.489 2.667 10 10 EFCERN O=C(NCc1ccc(Br)cn1)NCc1ccccc1O ZINC001313178113 1325008057 /nfs/dbraw/zinc/00/80/57/1325008057.db2.gz VFKJSQXPJCCOBH-UHFFFAOYSA-N 0 0 336.189 2.549 10 10 EFCERN O=C(NCCc1ccnn1-c1ccccc1)NCc1ccccc1O ZINC001313308967 1325012203 /nfs/dbraw/zinc/01/22/03/1325012203.db2.gz TXDPCMMMIAYERW-UHFFFAOYSA-N 0 0 336.395 2.620 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1cc2ccccc2[nH]c1=O ZINC001313427855 1325015325 /nfs/dbraw/zinc/01/53/25/1325015325.db2.gz NLJWEGLXWUYVPY-UHFFFAOYSA-N 0 0 337.379 2.988 10 10 EFCERN CO[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)C1CC1 ZINC001315210452 1325050390 /nfs/dbraw/zinc/05/03/90/1325050390.db2.gz PNGSZNNYLIPNOO-KRWDZBQOSA-N 0 0 342.443 2.923 10 10 EFCERN Cc1csc(C(=O)NCc2cc(Br)ccc2O)n1 ZINC001323561708 1329551807 /nfs/dbraw/zinc/55/18/07/1329551807.db2.gz YPDGKURLTCTSBV-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4CCCC[C@H]4C3)cc2N1 ZINC001323921673 1329584893 /nfs/dbraw/zinc/58/48/93/1329584893.db2.gz YRQVDJFAPHOJCL-NEPJUHHUSA-N 0 0 331.372 2.942 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3ccc(COC)o3)CC2)cc1 ZINC001324299681 1329614620 /nfs/dbraw/zinc/61/46/20/1329614620.db2.gz YEHHAOQFEFVWFK-UHFFFAOYSA-N 0 0 344.411 2.787 10 10 EFCERN Cc1cc(C(=O)NCCOCCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC001324338905 1329617871 /nfs/dbraw/zinc/61/78/71/1329617871.db2.gz CNLRHLWDWFCUQC-UHFFFAOYSA-N 0 0 344.455 2.840 10 10 EFCERN CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC001324417694 1329625432 /nfs/dbraw/zinc/62/54/32/1329625432.db2.gz OHFOUTYPBNFHNM-XJKSGUPXSA-N 0 0 348.349 2.551 10 10 EFCERN CO[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC001324460809 1329629929 /nfs/dbraw/zinc/62/99/29/1329629929.db2.gz GGHIPUHGCUTWAP-NWDGAFQWSA-N 0 0 343.221 2.521 10 10 EFCERN CO[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC001324460810 1329630100 /nfs/dbraw/zinc/63/01/00/1329630100.db2.gz GGHIPUHGCUTWAP-RYUDHWBXSA-N 0 0 343.221 2.521 10 10 EFCERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC001324471292 1329630993 /nfs/dbraw/zinc/63/09/93/1329630993.db2.gz KNHAISQCSBNFBQ-KDOFPFPSSA-N 0 0 331.343 2.706 10 10 EFCERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC001324471296 1329630998 /nfs/dbraw/zinc/63/09/98/1329630998.db2.gz KNHAISQCSBNFBQ-RDTXWAMCSA-N 0 0 331.343 2.706 10 10 EFCERN CC(C)O[N-]C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001324790954 1329658113 /nfs/dbraw/zinc/65/81/13/1329658113.db2.gz DETZFHNPLQBMRG-UHFFFAOYSA-N 0 0 329.444 2.864 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2cc(C3CC3)nn2C)cc1F ZINC001325380974 1329684098 /nfs/dbraw/zinc/68/40/98/1329684098.db2.gz XOAFXLHUHWZOAI-UHFFFAOYSA-N 0 0 331.395 2.824 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@]12CCOC2 ZINC001325520437 1329693745 /nfs/dbraw/zinc/69/37/45/1329693745.db2.gz SVHPTKJAHGXNNK-BEFAXECRSA-N 0 0 331.460 2.566 10 10 EFCERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(CF)CCC1 ZINC001327135097 1330426552 /nfs/dbraw/zinc/42/65/52/1330426552.db2.gz PFFUGQSOUYCJGO-UHFFFAOYSA-N 0 0 342.361 2.557 10 10 EFCERN CCOc1ccc(N2CCN([C@@H](C)c3nnc(CC)[nH]3)CC2)cc1 ZINC001327871331 1330525272 /nfs/dbraw/zinc/52/52/72/1330525272.db2.gz ZZVLSNGMANAEFQ-AWEZNQCLSA-N 0 0 329.448 2.649 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ccon3)CC2)cc1F ZINC001328558970 1330603022 /nfs/dbraw/zinc/60/30/22/1330603022.db2.gz WJRCATHMKLEAPW-UHFFFAOYSA-N 0 0 346.406 2.969 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC001328636367 1330610952 /nfs/dbraw/zinc/61/09/52/1330610952.db2.gz BXFBMCXDWZNZFR-VQIMIIECSA-N 0 0 346.471 2.939 10 10 EFCERN CCCN(C)C(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001328751843 1330626235 /nfs/dbraw/zinc/62/62/35/1330626235.db2.gz QMZSDUIYSQLWAH-UHFFFAOYSA-N 0 0 341.455 2.621 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC=C(C(=O)OC)C2)cc1 ZINC001329157497 1330675025 /nfs/dbraw/zinc/67/50/25/1330675025.db2.gz XQPLWRCLRQVXDC-MRXNPFEDSA-N 0 0 345.443 2.594 10 10 EFCERN Cc1ccc([C@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001329340024 1330696101 /nfs/dbraw/zinc/69/61/01/1330696101.db2.gz NHIDJXCNPVSNNF-AWEZNQCLSA-N 0 0 338.407 2.762 10 10 EFCERN C[C@H](c1ccco1)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001329353017 1330697128 /nfs/dbraw/zinc/69/71/28/1330697128.db2.gz NWZXIYMMGMQIAY-GFCCVEGCSA-N 0 0 340.379 2.580 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCC(O)CC1 ZINC001329877829 1330745363 /nfs/dbraw/zinc/74/53/63/1330745363.db2.gz WMIKAVUQEBSPRE-UHFFFAOYSA-N 0 0 341.835 2.572 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001329994686 1330759668 /nfs/dbraw/zinc/75/96/68/1330759668.db2.gz KNMSZBALVASGJB-RBVVOMGSSA-N 0 0 333.382 2.906 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1-c1ccn(C)n1 ZINC001331341891 1330825241 /nfs/dbraw/zinc/82/52/41/1330825241.db2.gz HKTXBFHBVPNZBN-UHFFFAOYSA-N 0 0 338.411 2.805 10 10 EFCERN Cc1ccc(O)c(CNS(=O)(=O)C[C@@H](C)CC(F)(F)F)c1 ZINC001331364911 1330828199 /nfs/dbraw/zinc/82/81/99/1330828199.db2.gz RALUUFIRMIVRQP-JTQLQIEISA-N 0 0 325.352 2.709 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1 ZINC001331538026 1330849514 /nfs/dbraw/zinc/84/95/14/1330849514.db2.gz FCJNRXZZCGMUDY-GOSISDBHSA-N 0 0 338.407 2.504 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@]23CCOC3)c1 ZINC001331643589 1330862965 /nfs/dbraw/zinc/86/29/65/1330862965.db2.gz VYJDLBRGOGBJBA-HXUWFJFHSA-N 0 0 338.407 2.912 10 10 EFCERN CCC[C@H](C)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001332131352 1330925577 /nfs/dbraw/zinc/92/55/77/1330925577.db2.gz FJKDVUYFITZEPF-INIZCTEOSA-N 0 0 343.471 2.622 10 10 EFCERN CCC[C@@H](C)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001332131355 1330925932 /nfs/dbraw/zinc/92/59/32/1330925932.db2.gz FJKDVUYFITZEPF-MRXNPFEDSA-N 0 0 343.471 2.622 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cn(C)nn2)c1 ZINC001332573399 1330986408 /nfs/dbraw/zinc/98/64/08/1330986408.db2.gz UVZRYQQFGQNXLN-UHFFFAOYSA-N 0 0 343.818 2.806 10 10 EFCERN COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001336157673 1331441041 /nfs/dbraw/zinc/44/10/41/1331441041.db2.gz RHZDLGMYAKHZDN-ACRUDFBXSA-N 0 0 331.343 2.754 10 10 EFCERN COC(=O)c1c(CN2CCCOC[C@H]2C)c2cc(F)ccc2n1C ZINC001338234666 1331675906 /nfs/dbraw/zinc/67/59/06/1331675906.db2.gz MBIMDNSCVRHXHY-GFCCVEGCSA-N 0 0 334.391 2.715 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001341025410 1332227586 /nfs/dbraw/zinc/22/75/86/1332227586.db2.gz NJMZXBIYUXXGGE-UONOGXRCSA-N 0 0 347.333 2.785 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@]2([C@H]3CCCCO3)CCCO2)c1 ZINC001346452960 1332643216 /nfs/dbraw/zinc/64/32/16/1332643216.db2.gz ZZDXAOIAMCTXPB-BOFPYLFWSA-N 0 0 349.427 2.696 10 10 EFCERN CCn1cccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001347395658 1332740570 /nfs/dbraw/zinc/74/05/70/1332740570.db2.gz QUMUIAPHGXSASR-HNNXBMFYSA-N 0 0 327.428 2.836 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001347470659 1332748040 /nfs/dbraw/zinc/74/80/40/1332748040.db2.gz CSBZPFIRCUBWAJ-AZUAARDMSA-N 0 0 346.471 2.796 10 10 EFCERN CC(C)COc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 ZINC001347543168 1332754114 /nfs/dbraw/zinc/75/41/14/1332754114.db2.gz XQTYLCJBTHMVNP-UHFFFAOYSA-N 0 0 329.396 2.992 10 10 EFCERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001347558253 1332755899 /nfs/dbraw/zinc/75/58/99/1332755899.db2.gz CCIXPRJFUMVQAR-UONOGXRCSA-N 0 0 333.476 2.871 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cnn(C)n2)c1 ZINC001347850345 1332778124 /nfs/dbraw/zinc/77/81/24/1332778124.db2.gz PQMCAYDDYNNSSC-UHFFFAOYSA-N 0 0 343.818 2.806 10 10 EFCERN C/C=C\C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001348156524 1332805687 /nfs/dbraw/zinc/80/56/87/1332805687.db2.gz GZZKFEIUBBXVGM-JZIMQPMSSA-N 0 0 330.428 2.555 10 10 EFCERN Cc1cc(C(=O)NCc2cnn3c2CCCC3)c(C)n1-c1ccccn1 ZINC001348465751 1332839646 /nfs/dbraw/zinc/83/96/46/1332839646.db2.gz KWGAWIBYSKCVNB-UHFFFAOYSA-N 0 0 349.438 2.952 10 10 EFCERN O=[N+]([O-])c1cc(CN2CC[C@@]23CCOC3)ccc1N1CCCCC1 ZINC001348633254 1332855287 /nfs/dbraw/zinc/85/52/87/1332855287.db2.gz LXYGPCKXTSDLFX-SFHVURJKSA-N 0 0 331.416 2.950 10 10 EFCERN COC(=O)C[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349116619 1332906671 /nfs/dbraw/zinc/90/66/71/1332906671.db2.gz BVJIVFFNFZXQIL-OAHLLOKOSA-N 0 0 332.444 2.835 10 10 EFCERN Cc1cnc(COCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001349117021 1332906732 /nfs/dbraw/zinc/90/67/32/1332906732.db2.gz GWTIGASCAQPOCE-UHFFFAOYSA-N 0 0 343.427 2.758 10 10 EFCERN COC(=O)C[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349116618 1332906867 /nfs/dbraw/zinc/90/68/67/1332906867.db2.gz BVJIVFFNFZXQIL-HNNXBMFYSA-N 0 0 332.444 2.835 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(CF)CCC1 ZINC001349470387 1332957331 /nfs/dbraw/zinc/95/73/31/1332957331.db2.gz VYGCYAPBDASXDM-UHFFFAOYSA-N 0 0 338.398 2.543 10 10 EFCERN COCc1ccnc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001349535390 1332966141 /nfs/dbraw/zinc/96/61/41/1332966141.db2.gz LPKKHEVLUOFJFO-UHFFFAOYSA-N 0 0 344.434 2.731 10 10 EFCERN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)Cn1cccn1 ZINC001350337405 1333066135 /nfs/dbraw/zinc/06/61/35/1333066135.db2.gz CAOYQOCGOVYXOQ-SNVBAGLBSA-N 0 0 331.397 2.575 10 10 EFCERN CC(C)[C@H](O)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001351099648 1333179960 /nfs/dbraw/zinc/17/99/60/1333179960.db2.gz QYVHDBPYDQSHMG-HTOYRWLBSA-N 0 0 341.407 2.985 10 10 EFCERN CC(C)[C@H](O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001351099649 1333180302 /nfs/dbraw/zinc/18/03/02/1333180302.db2.gz QYVHDBPYDQSHMG-ICZAOOFJSA-N 0 0 341.407 2.985 10 10 EFCERN CC(C)[C@H](O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001351099650 1333180375 /nfs/dbraw/zinc/18/03/75/1333180375.db2.gz QYVHDBPYDQSHMG-XQGSBLGISA-N 0 0 341.407 2.985 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC=CC[C@H]2C)cc1 ZINC001351118085 1333182798 /nfs/dbraw/zinc/18/27/98/1333182798.db2.gz KPXWHEAGFKHFQP-CRAIPNDOSA-N 0 0 343.471 2.620 10 10 EFCERN O=C(Nc1cnn(CC(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001351323552 1333211610 /nfs/dbraw/zinc/21/16/10/1333211610.db2.gz KWVBWSLKYBRUGM-UHFFFAOYSA-N 0 0 326.278 2.699 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nn(C)cc1Cl ZINC001351674444 1333267169 /nfs/dbraw/zinc/26/71/69/1333267169.db2.gz VKAWMIMKLYSACS-UHFFFAOYSA-N 0 0 332.835 2.946 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc2ncnn21 ZINC001351672492 1333267179 /nfs/dbraw/zinc/26/71/79/1333267179.db2.gz FFAOWVMVMBWMOE-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN Cn1cc(/C=C/C(=O)N2CCOc3c2cccc3C(F)(F)F)cn1 ZINC000847111127 1333327537 /nfs/dbraw/zinc/32/75/37/1333327537.db2.gz IZLFKSFPSMHXJX-AATRIKPKSA-N 0 0 337.301 2.878 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2c(cnn2C)c1 ZINC001352615079 1333631800 /nfs/dbraw/zinc/63/18/00/1333631800.db2.gz KYVMWMSNYVDFTO-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000847397630 1333659351 /nfs/dbraw/zinc/65/93/51/1333659351.db2.gz SWMULNNJKLAVEE-GDBMZVCRSA-N 0 0 334.416 2.548 10 10 EFCERN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)C1=CC(=O)CS1 ZINC001300166050 1333840969 /nfs/dbraw/zinc/84/09/69/1333840969.db2.gz JPPIGFLJGARLOJ-UHFFFAOYSA-N 0 0 327.308 2.748 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@](C)(CC)CO ZINC000847572866 1333930414 /nfs/dbraw/zinc/93/04/14/1333930414.db2.gz WPFFQHRGIUVVAX-OAHLLOKOSA-N 0 0 344.249 2.912 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(OCC(F)(F)F)o2)c1O ZINC000847589105 1333957823 /nfs/dbraw/zinc/95/78/23/1333957823.db2.gz FIPHXKIUOBIAKF-UHFFFAOYSA-N 0 0 345.273 2.865 10 10 EFCERN COc1c(C)ncnc1NCc1ccc(N2CCSCC2)cc1 ZINC000848647989 1334824056 /nfs/dbraw/zinc/82/40/56/1334824056.db2.gz YGUPKGOPRHFRET-UHFFFAOYSA-N 0 0 330.457 2.959 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ncc3n2CCCC3)cc1 ZINC001355912747 1334905187 /nfs/dbraw/zinc/90/51/87/1334905187.db2.gz ZPRZFFLQSNPOMM-UHFFFAOYSA-N 0 0 326.444 2.996 10 10 EFCERN Cn1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cnc1Cl ZINC000848875980 1334954498 /nfs/dbraw/zinc/95/44/98/1334954498.db2.gz DQIMYPNAIKONRM-OAHLLOKOSA-N 0 0 335.835 2.960 10 10 EFCERN CC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356266022 1335005060 /nfs/dbraw/zinc/00/50/60/1335005060.db2.gz HJHJZWYHPONKPF-LJQANCHMSA-N 0 0 345.487 2.796 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)C1CCOCC1 ZINC000935945527 1335464167 /nfs/dbraw/zinc/46/41/67/1335464167.db2.gz AWSWEVYOHZGNPM-UHFFFAOYSA-N 0 0 326.433 2.947 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1scnc1C ZINC000935944953 1335464361 /nfs/dbraw/zinc/46/43/61/1335464361.db2.gz FLKLHILTIPUUMA-UHFFFAOYSA-N 0 0 325.430 2.892 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000935946480 1335464539 /nfs/dbraw/zinc/46/45/39/1335464539.db2.gz IEYPKJAHXZCMSX-UHFFFAOYSA-N 0 0 347.411 2.695 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000935946303 1335464703 /nfs/dbraw/zinc/46/47/03/1335464703.db2.gz DZSFAXICSOMHES-UHFFFAOYSA-N 0 0 347.411 2.787 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C2OCCO2)c1 ZINC000935947895 1335465084 /nfs/dbraw/zinc/46/50/84/1335465084.db2.gz GZZYFDGEBUCYQJ-UHFFFAOYSA-N 0 0 348.395 2.853 10 10 EFCERN COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CC(C)(C)C)C3=O)C2)cc1 ZINC000849356581 1335597780 /nfs/dbraw/zinc/59/77/80/1335597780.db2.gz FMHQUPZIEULURN-GOEBONIOSA-N 0 0 345.443 2.631 10 10 EFCERN CCC[C@@H](C)CS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416225 1335610877 /nfs/dbraw/zinc/61/08/77/1335610877.db2.gz MREGAOBMOZGNQI-CABCVRRESA-N 0 0 340.489 2.630 10 10 EFCERN CCC[C@H](C)CS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416228 1335610891 /nfs/dbraw/zinc/61/08/91/1335610891.db2.gz MREGAOBMOZGNQI-LSDHHAIUSA-N 0 0 340.489 2.630 10 10 EFCERN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000849416195 1335610893 /nfs/dbraw/zinc/61/08/93/1335610893.db2.gz MAFGWLANGRCFMI-OAHLLOKOSA-N 0 0 346.452 2.561 10 10 EFCERN CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCOC1 ZINC000849678911 1335693728 /nfs/dbraw/zinc/69/37/28/1335693728.db2.gz BITNJQJZKOGWEZ-DOTOQJQBSA-N 0 0 344.411 2.697 10 10 EFCERN CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCOC1 ZINC000849678913 1335693766 /nfs/dbraw/zinc/69/37/66/1335693766.db2.gz BITNJQJZKOGWEZ-RDJZCZTQSA-N 0 0 344.411 2.697 10 10 EFCERN CC(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O ZINC001359998103 1335932829 /nfs/dbraw/zinc/93/28/29/1335932829.db2.gz PQKWNRJJQFZYBT-UHFFFAOYSA-N 0 0 338.415 2.733 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCOCC1CC1 ZINC001492781494 1352948165 /nfs/dbraw/zinc/94/81/65/1352948165.db2.gz ADSPQISQLATLHP-UHFFFAOYSA-N 0 0 330.432 2.745 10 10 EFCERN Cc1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492795528 1353865420 /nfs/dbraw/zinc/86/54/20/1353865420.db2.gz YQQRUBSUQOLEAR-GASCZTMLSA-N 0 0 343.450 2.932 10 10 EFCERN CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC001439225360 1389057240 /nfs/dbraw/zinc/05/72/40/1389057240.db2.gz ILLYVNKDKUQYGT-CSKARUKUSA-N 0 0 329.787 2.771 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C3=C(C)OCCS3)CC2)cc1 ZINC001545931306 1389599752 /nfs/dbraw/zinc/59/97/52/1389599752.db2.gz DJYRVTJLMNHHDY-UHFFFAOYSA-N 0 0 348.468 2.729 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Br)s1 ZINC001440787209 1389897369 /nfs/dbraw/zinc/89/73/69/1389897369.db2.gz WSQWDNXKCCHVFR-UHFFFAOYSA-N 0 0 342.214 2.781 10 10 EFCERN COCCN(Cc1ccco1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441088938 1391082833 /nfs/dbraw/zinc/08/28/33/1391082833.db2.gz NKSPAWWJNKWAAF-UHFFFAOYSA-N 0 0 330.344 2.731 10 10 EFCERN Cn1cc(CCNC(=O)Cc2ccc(O)c(O)c2)c2ccc(F)cc21 ZINC001448079275 1391935232 /nfs/dbraw/zinc/93/52/32/1391935232.db2.gz TWPVIKWMJJORNA-UHFFFAOYSA-N 0 0 342.370 2.630 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(Nc2ccc(F)cc2)C1 ZINC001454551177 1393057819 /nfs/dbraw/zinc/05/78/19/1393057819.db2.gz FTFFFAUHQHAMCK-KRXBUXKQSA-N 0 0 328.343 2.573 10 10 EFCERN Cc1cccc(NC(=O)NCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001454812518 1394257089 /nfs/dbraw/zinc/25/70/89/1394257089.db2.gz AOTAWFBIPHSEOI-ZDUSSCGKSA-N 0 0 327.384 2.700 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC23CCOCC3)cc1 ZINC001454866647 1394323649 /nfs/dbraw/zinc/32/36/49/1394323649.db2.gz IOIGLILNPJGKMT-CYBMUJFWSA-N 0 0 330.388 2.786 10 10 EFCERN C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1cccc(Cl)c1O ZINC001457038572 1394935282 /nfs/dbraw/zinc/93/52/82/1394935282.db2.gz XGVGRTRKTLHLNQ-MEBBXXQBSA-N 0 0 337.778 2.966 10 10 EFCERN C/C(=C/c1cccnc1)C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC001457178857 1395022455 /nfs/dbraw/zinc/02/24/55/1395022455.db2.gz PFYUFJHOUFPKPC-QBFSEMIESA-N 0 0 330.409 2.551 10 10 EFCERN O=C(NCCOCc1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC001457705137 1395298684 /nfs/dbraw/zinc/29/86/84/1395298684.db2.gz DPQOZTWAQSMJGZ-UHFFFAOYSA-N 0 0 339.750 2.837 10 10 EFCERN CN(C)c1ccc(CNc2ccnc(-c3nccs3)n2)cc1F ZINC001458143099 1395414568 /nfs/dbraw/zinc/41/45/68/1395414568.db2.gz LILAVXBGAJQKGH-UHFFFAOYSA-N 0 0 329.404 2.839 10 10 EFCERN COC(=O)c1cnc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC001458705081 1395556430 /nfs/dbraw/zinc/55/64/30/1395556430.db2.gz ZGFLEGRFIXTCIL-UHFFFAOYSA-N 0 0 337.719 2.748 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CCOC[C@H]2C)CCCC1 ZINC001459618408 1395970085 /nfs/dbraw/zinc/97/00/85/1395970085.db2.gz QNLXLLVOLTUSQC-CQSZACIVSA-N 0 0 342.439 2.776 10 10 EFCERN CCN(C)c1ccc(CN(C)[C@@H](COC2CCC2)C(=O)OC)cc1 ZINC001459769192 1395981363 /nfs/dbraw/zinc/98/13/63/1395981363.db2.gz FUFLCCPHNLYRJO-SFHVURJKSA-N 0 0 334.460 2.685 10 10 EFCERN Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001462080526 1396419994 /nfs/dbraw/zinc/41/99/94/1396419994.db2.gz AEABVPZZGIPPAE-CVEARBPZSA-N 0 0 339.439 2.612 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@H]2CO)c(C)n1-c1ccc(Cl)cc1 ZINC001463020917 1396466709 /nfs/dbraw/zinc/46/67/09/1396466709.db2.gz LXARSNHWZPZQKA-KRWDZBQOSA-N 0 0 332.831 2.883 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)cc1 ZINC001463749981 1396518573 /nfs/dbraw/zinc/51/85/73/1396518573.db2.gz BJCMJUAQWOBHOQ-UHFFFAOYSA-N 0 0 336.395 2.674 10 10 EFCERN CON1CCC(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001463808985 1396522936 /nfs/dbraw/zinc/52/29/36/1396522936.db2.gz PNLXPIMCOAUNTB-UHFFFAOYSA-N 0 0 331.460 2.519 10 10 EFCERN CC(C)n1ncc2cc(NC(=O)Cc3ccc(O)c(O)c3)cnc21 ZINC001463810005 1396523306 /nfs/dbraw/zinc/52/33/06/1396523306.db2.gz KMLXYSPFHHMDHK-UHFFFAOYSA-N 0 0 326.356 2.605 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn2c1NCCC2 ZINC001463812113 1396523386 /nfs/dbraw/zinc/52/33/86/1396523386.db2.gz YKCCDEBAKSSQSL-UHFFFAOYSA-N 0 0 339.443 2.571 10 10 EFCERN Cc1nc2ccccc2n1CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001464183886 1396554037 /nfs/dbraw/zinc/55/40/37/1396554037.db2.gz IIPILYOYVGRJND-UHFFFAOYSA-N 0 0 339.395 2.505 10 10 EFCERN COc1ccc(OC(F)F)c(NC(=O)c2cccc(O)c2O)c1 ZINC001464221684 1396557872 /nfs/dbraw/zinc/55/78/72/1396557872.db2.gz HPTYKIGXMSIDLE-UHFFFAOYSA-N 0 0 325.267 2.960 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1 ZINC001464998657 1396639097 /nfs/dbraw/zinc/63/90/97/1396639097.db2.gz XHZJQBJNOCVGFU-UHFFFAOYSA-N 0 0 348.309 2.936 10 10 EFCERN O=C(C1=C[S@](=O)CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC001465841484 1396716122 /nfs/dbraw/zinc/71/61/22/1396716122.db2.gz ZPPFHMVQPJCUPO-XMMPIXPASA-N 0 0 345.420 2.940 10 10 EFCERN COc1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)ccc1O ZINC001465978971 1396727908 /nfs/dbraw/zinc/72/79/08/1396727908.db2.gz NCMUKWUVUFEJAM-UHFFFAOYSA-N 0 0 345.376 2.957 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)COC(=O)N3)c1 ZINC001465992690 1396728462 /nfs/dbraw/zinc/72/84/62/1396728462.db2.gz KVFIIGBCZPRHNV-SNVBAGLBSA-N 0 0 342.351 2.954 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cn3cc(F)ccc3n2)c1 ZINC001465992109 1396729230 /nfs/dbraw/zinc/72/92/30/1396729230.db2.gz HTVGUHYVLXDENF-NSHDSACASA-N 0 0 343.358 2.608 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc3nsnc32)c1 ZINC001465993530 1396729773 /nfs/dbraw/zinc/72/97/73/1396729773.db2.gz RTXRXBMBYUWJGQ-SNVBAGLBSA-N 0 0 343.408 2.825 10 10 EFCERN COC(=O)C1(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001466655971 1396769203 /nfs/dbraw/zinc/76/92/03/1396769203.db2.gz ZUNGJEXUWONPLD-UHFFFAOYSA-N 0 0 346.387 2.797 10 10 EFCERN C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC001466790106 1396785606 /nfs/dbraw/zinc/78/56/06/1396785606.db2.gz BXLBGRRIMKBSGV-LBPRGKRZSA-N 0 0 340.379 2.583 10 10 EFCERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467400451 1396850110 /nfs/dbraw/zinc/85/01/10/1396850110.db2.gz JRNOYOQQZOVTJT-HNNXBMFYSA-N 0 0 340.387 2.950 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2N)c(O)c1 ZINC001467469516 1396859295 /nfs/dbraw/zinc/85/92/95/1396859295.db2.gz ATRXENDFJGKNOP-UHFFFAOYSA-N 0 0 340.301 2.932 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C=O)sc2Cl)c(O)c1 ZINC001467470771 1396859646 /nfs/dbraw/zinc/85/96/46/1396859646.db2.gz NCHLXZVUSMQCGI-UHFFFAOYSA-N 0 0 325.773 2.858 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C(F)(F)F)cs1 ZINC001467524725 1396865408 /nfs/dbraw/zinc/86/54/08/1396865408.db2.gz YUFGOOMTAUXQPT-ZETCQYMHSA-N 0 0 346.330 2.993 10 10 EFCERN CC(C)OC(=O)CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467710935 1396887173 /nfs/dbraw/zinc/88/71/73/1396887173.db2.gz VHFWPBDNAFNHMK-NSHDSACASA-N 0 0 334.376 2.699 10 10 EFCERN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001467769336 1396895109 /nfs/dbraw/zinc/89/51/09/1396895109.db2.gz AGAOUSPNAXUFAR-UWVGGRQHSA-N 0 0 343.391 2.972 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)c(O)c1O ZINC001468306388 1396942696 /nfs/dbraw/zinc/94/26/96/1396942696.db2.gz KKCZERPEVIMWMQ-AWEZNQCLSA-N 0 0 335.787 2.865 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](CO)Cc3ccccc32)cc1 ZINC001468316875 1396944747 /nfs/dbraw/zinc/94/47/47/1396944747.db2.gz ONVYKVGMPJGLRS-GFCCVEGCSA-N 0 0 338.367 2.660 10 10 EFCERN CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001469071789 1397000033 /nfs/dbraw/zinc/00/00/33/1397000033.db2.gz APYQKZFCIXPIOW-UHFFFAOYSA-N 0 0 349.408 2.593 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1c(F)cccc1Br ZINC001469159024 1397006694 /nfs/dbraw/zinc/00/66/94/1397006694.db2.gz JIKLGMFOUBFXJH-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCc2c1cccc2Br ZINC001469209766 1397011075 /nfs/dbraw/zinc/01/10/75/1397011075.db2.gz DVODDSWLQQOHGI-UHFFFAOYSA-N 0 0 348.196 2.992 10 10 EFCERN C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C(=O)OC(C)(C)C ZINC001469225319 1397013570 /nfs/dbraw/zinc/01/35/70/1397013570.db2.gz STABUSMVDFDKTD-SJKOYZFVSA-N 0 0 349.427 2.609 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001469249839 1397015627 /nfs/dbraw/zinc/01/56/27/1397015627.db2.gz PNLQHQBZNSMDHO-UEDWGHLCSA-N 0 0 348.402 2.649 10 10 EFCERN CO[C@@H]1COC[C@H]1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001469414930 1397030405 /nfs/dbraw/zinc/03/04/05/1397030405.db2.gz VMNUVRQPFQKYSW-SJLPKXTDSA-N 0 0 328.412 2.546 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@H](C)CC(C)C)CC2)c(OC)c1 ZINC001469495862 1397033073 /nfs/dbraw/zinc/03/30/73/1397033073.db2.gz NGGKBNREFHVXSJ-OAHLLOKOSA-N 0 0 349.475 2.970 10 10 EFCERN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001469561716 1397038328 /nfs/dbraw/zinc/03/83/28/1397038328.db2.gz WZDMQLWTVZZRCK-CQSZACIVSA-N 0 0 348.403 2.945 10 10 EFCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1-c1cnccn1 ZINC001470258088 1397082844 /nfs/dbraw/zinc/08/28/44/1397082844.db2.gz OICWUVPRIISYHW-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN Cc1cc(CNC(=O)N[C@H](CO)C(C)C)c(C)n1-c1ccccc1 ZINC001471036442 1397134778 /nfs/dbraw/zinc/13/47/78/1397134778.db2.gz CEBZZYMOZHYAAK-GOSISDBHSA-N 0 0 329.444 2.910 10 10 EFCERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001471194832 1397149910 /nfs/dbraw/zinc/14/99/10/1397149910.db2.gz YYNMUGBNQJXCRR-SNVBAGLBSA-N 0 0 344.323 2.578 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2F)on1 ZINC001471661512 1397194747 /nfs/dbraw/zinc/19/47/47/1397194747.db2.gz RDIQNLLKOUANFE-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN COc1ccccc1CC(C)(C)C(=O)NCc1cc(O)ccc1O ZINC001471661383 1397194902 /nfs/dbraw/zinc/19/49/02/1397194902.db2.gz QCCWXEHZJSINST-UHFFFAOYSA-N 0 0 329.396 2.992 10 10 EFCERN COc1ccc(F)c2[nH]c(C(=O)NCc3cc(O)ccc3O)cc21 ZINC001471662217 1397195357 /nfs/dbraw/zinc/19/53/57/1397195357.db2.gz UFJUFYLRKLURPK-UHFFFAOYSA-N 0 0 330.315 2.657 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(Nc2ncccn2)c1 ZINC001472063711 1397242427 /nfs/dbraw/zinc/24/24/27/1397242427.db2.gz OELTZTZGFPRLHS-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN Nc1c(Cl)ccc(C(=O)NCc2c(O)cccc2O)c1Cl ZINC001472062963 1397242518 /nfs/dbraw/zinc/24/25/18/1397242518.db2.gz ABWBCNFIRMDKDV-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC001472068965 1397244149 /nfs/dbraw/zinc/24/41/49/1397244149.db2.gz RCSWQVPPUWUOFT-CVEARBPZSA-N 0 0 338.367 2.627 10 10 EFCERN CCO[C@H](C(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCOC1 ZINC001472085266 1397245390 /nfs/dbraw/zinc/24/53/90/1397245390.db2.gz OACSQIZGIAYEMG-KDOFPFPSSA-N 0 0 329.396 2.603 10 10 EFCERN COc1ccc2c(c1)CCCCN2CCc1nnn(C(C)(C)C)n1 ZINC001473288213 1397294221 /nfs/dbraw/zinc/29/42/21/1397294221.db2.gz AORGODVKCYQVKC-UHFFFAOYSA-N 0 0 329.448 2.822 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cn[nH]c1 ZINC001478357571 1397577054 /nfs/dbraw/zinc/57/70/54/1397577054.db2.gz WWRSAJYCELEJAW-CQSZACIVSA-N 0 0 327.432 2.913 10 10 EFCERN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001478562114 1397584432 /nfs/dbraw/zinc/58/44/32/1397584432.db2.gz QCFOHIYVRIKRFM-LBPRGKRZSA-N 0 0 329.356 2.903 10 10 EFCERN CO[C@H]1C[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001479202229 1397618306 /nfs/dbraw/zinc/61/83/06/1397618306.db2.gz IAXNJZGLCHJGRX-SAABIXHNSA-N 0 0 331.460 2.853 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001479304107 1397673704 /nfs/dbraw/zinc/67/37/04/1397673704.db2.gz BDPZNTBQULZDMM-XJKSGUPXSA-N 0 0 334.322 2.802 10 10 EFCERN CC/C=C\CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494515956 1399357957 /nfs/dbraw/zinc/35/79/57/1399357957.db2.gz WVDAHSZIARPONN-XWQBDTFCSA-N 0 0 329.404 2.619 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CCCO1 ZINC001498676005 1402237395 /nfs/dbraw/zinc/23/73/95/1402237395.db2.gz VXGHCLNABAKJTG-SFHVURJKSA-N 0 0 330.432 2.752 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1 ZINC001546296950 1405685116 /nfs/dbraw/zinc/68/51/16/1405685116.db2.gz YWLISDBMRGJSGD-DJJJIMSYSA-N 0 0 340.423 2.750 10 10 EFCERN CC(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508454250 1407472485 /nfs/dbraw/zinc/47/24/85/1407472485.db2.gz ADVSDDQDVTYMLT-RYUDHWBXSA-N 0 0 347.419 2.518 10 10 EFCERN C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508589061 1407548200 /nfs/dbraw/zinc/54/82/00/1407548200.db2.gz YZMKEKFBXSAIOD-WDEREUQCSA-N 0 0 347.419 2.518 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)NC(=O)C(C)(C)C ZINC001508589055 1407548319 /nfs/dbraw/zinc/54/83/19/1407548319.db2.gz YZMKEKFBXSAIOD-MNOVXSKESA-N 0 0 347.419 2.518 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001556158311 1415056367 /nfs/dbraw/zinc/05/63/67/1415056367.db2.gz WZBGOPVCCYVYAG-SECBINFHSA-N 0 0 334.303 2.506 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cc(F)c1N ZINC001556157808 1415056473 /nfs/dbraw/zinc/05/64/73/1415056473.db2.gz KBOBYPQABAFTML-MRVPVSSYSA-N 0 0 338.766 2.834 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001556354861 1415065323 /nfs/dbraw/zinc/06/53/23/1415065323.db2.gz XBWXQZTWYBBKJA-CVEARBPZSA-N 0 0 342.351 2.729 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C(=O)OC)cc1 ZINC001556515813 1415074092 /nfs/dbraw/zinc/07/40/92/1415074092.db2.gz NJSRRHVMIJOGJI-UHFFFAOYSA-N 0 0 348.395 2.523 10 10 EFCERN C[Si](C)(C)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001556595918 1415078772 /nfs/dbraw/zinc/07/87/72/1415078772.db2.gz SZDRMUUBGKJNAC-UHFFFAOYSA-N 0 0 329.472 2.502 10 10 EFCERN COc1cccc([C@@H]2C[C@H]2NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001556616834 1415080058 /nfs/dbraw/zinc/08/00/58/1415080058.db2.gz AAZNEUXVSCWTOU-MMAALDBVSA-N 0 0 325.364 2.792 10 10 EFCERN COc1c(F)cc(NC(=O)c2ccc(C)c(O)c2O)c(OC)c1F ZINC001556674223 1415081112 /nfs/dbraw/zinc/08/11/12/1415081112.db2.gz ASRXQPXCPAQMMS-UHFFFAOYSA-N 0 0 339.294 2.954 10 10 EFCERN O=C(CCc1cc2ccccc2[nH]c1=O)NCc1ccc(O)cc1O ZINC001557084775 1415103684 /nfs/dbraw/zinc/10/36/84/1415103684.db2.gz OAQIOGNPVNWVLJ-UHFFFAOYSA-N 0 0 338.363 2.601 10 10 EFCERN Cc1cccc2ncc(C(=O)NCc3ccc4cccnc4c3O)n21 ZINC001557121882 1415106547 /nfs/dbraw/zinc/10/65/47/1415106547.db2.gz CBPWAOYDWAMITN-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN O=C(Nc1ccc(Br)c(CO)c1)C1=CC(=O)CS1 ZINC001557285948 1415117534 /nfs/dbraw/zinc/11/75/34/1415117534.db2.gz ARRNVXAWRQEKJU-UHFFFAOYSA-N 0 0 328.187 2.961 10 10 EFCERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001557241564 1415114436 /nfs/dbraw/zinc/11/44/36/1415114436.db2.gz SCZITKJNIIHEAB-SNVBAGLBSA-N 0 0 334.376 2.557 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)cc1 ZINC001557531299 1415130123 /nfs/dbraw/zinc/13/01/23/1415130123.db2.gz TUAZCYMUZPRQPU-UHFFFAOYSA-N 0 0 342.359 2.649 10 10 EFCERN Cc1ccc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)c(O)c1O ZINC001557735860 1415140756 /nfs/dbraw/zinc/14/07/56/1415140756.db2.gz OKKDAAQWURZWIT-AWEZNQCLSA-N 0 0 326.352 2.610 10 10 EFCERN C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1O ZINC001557967390 1415153006 /nfs/dbraw/zinc/15/30/06/1415153006.db2.gz AVOVDFUWEUEWGS-QMMMGPOBSA-N 0 0 337.173 2.746 10 10 EFCERN O=C(c1c(C(F)F)nc2cnccn21)N1Cc2cccc(O)c2C1 ZINC001558035257 1415156479 /nfs/dbraw/zinc/15/64/79/1415156479.db2.gz FCCDIZPKTMBCJE-UHFFFAOYSA-N 0 0 330.294 2.529 10 10 EFCERN CC(C)n1c(=O)[nH]c2ccc(C(=O)NCc3cc(O)ccc3O)cc21 ZINC001558175567 1415164717 /nfs/dbraw/zinc/16/47/17/1415164717.db2.gz VZERAWZMBCYDEH-UHFFFAOYSA-N 0 0 341.367 2.664 10 10 EFCERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1F ZINC001558454795 1415180848 /nfs/dbraw/zinc/18/08/48/1415180848.db2.gz MPGFESRIXBXUMT-UHFFFAOYSA-N 0 0 333.319 2.558 10 10 EFCERN CC(=O)N[C@](C)(C(=O)NCc1c(O)ccc2ccccc21)C(C)C ZINC001558554205 1415188417 /nfs/dbraw/zinc/18/84/17/1415188417.db2.gz FRQIGDVBXMETPB-IBGZPJMESA-N 0 0 328.412 2.712 10 10 EFCERN Cn1nnc2cc(C(=O)NCc3c(O)ccc4ccccc43)ccc21 ZINC001558554772 1415188456 /nfs/dbraw/zinc/18/84/56/1415188456.db2.gz VQDMAEHZHFARST-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN NC(=O)CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC001558735509 1415198235 /nfs/dbraw/zinc/19/82/35/1415198235.db2.gz NRTFGWVNODMNND-UHFFFAOYSA-N 0 0 348.424 2.621 10 10 EFCERN COc1cc(CN(C)C(=O)c2c(F)ccc(O)c2O)cc(OC)c1 ZINC001558910289 1415209942 /nfs/dbraw/zinc/20/99/42/1415209942.db2.gz YICDBFGRVPVXNE-UHFFFAOYSA-N 0 0 335.331 2.526 10 10 EFCERN Cc1ccc(O)c(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001559240079 1415232171 /nfs/dbraw/zinc/23/21/71/1415232171.db2.gz AJRBRHRXTMVPTN-UHFFFAOYSA-N 0 0 342.398 2.686 10 10 EFCERN Oc1cccc(O)c1CNc1nn2cc(-c3cccnc3)nc2s1 ZINC001559288158 1415237531 /nfs/dbraw/zinc/23/75/31/1415237531.db2.gz RLZRHHYTEZKASQ-UHFFFAOYSA-N 0 0 339.380 2.876 10 10 EFCERN COCC1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001564991344 1415386838 /nfs/dbraw/zinc/38/68/38/1415386838.db2.gz POUHADUCZZSFRP-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2COc3cccc(C)c3C2)c1 ZINC001565116271 1415390062 /nfs/dbraw/zinc/39/00/62/1415390062.db2.gz BJYWZJXOUFKGBO-HNNXBMFYSA-N 0 0 326.396 2.812 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nc(C)no2)c1 ZINC001565636273 1415408638 /nfs/dbraw/zinc/40/86/38/1415408638.db2.gz KWTZSQLZHCZTGK-UHFFFAOYSA-N 0 0 338.367 2.528 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCc2ccc(Br)cc21 ZINC001565684528 1415410677 /nfs/dbraw/zinc/41/06/77/1415410677.db2.gz UMTBMYWNRHUSFA-UHFFFAOYSA-N 0 0 348.196 2.992 10 10 EFCERN COc1cc(C(=O)N(C)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC001566303856 1415539531 /nfs/dbraw/zinc/53/95/31/1415539531.db2.gz HNMQENCSNBDZCD-UHFFFAOYSA-N 0 0 334.303 2.720 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(F)c2ncccc2c1 ZINC001566370261 1415543403 /nfs/dbraw/zinc/54/34/03/1415543403.db2.gz TUIFYZNCWPFJAY-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(-c3ccccn3)nc2)c1O ZINC001566373702 1415543638 /nfs/dbraw/zinc/54/36/38/1415543638.db2.gz APNQRPYRYSZGAC-UHFFFAOYSA-N 0 0 335.363 2.788 10 10 EFCERN COc1cccc(CNC(=O)c2ncc(Cc3ccccc3)o2)c1O ZINC001566373808 1415544349 /nfs/dbraw/zinc/54/43/49/1415544349.db2.gz GENLPZKHCWPJIK-UHFFFAOYSA-N 0 0 338.363 2.910 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)Cc1ccccc1 ZINC001566618653 1415699191 /nfs/dbraw/zinc/69/91/91/1415699191.db2.gz OZKJEBHPUQPWKK-LRDDRELGSA-N 0 0 340.383 2.571 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001566849576 1415798235 /nfs/dbraw/zinc/79/82/35/1415798235.db2.gz MUPDFJYWYDFPTI-NWDGAFQWSA-N 0 0 339.819 2.983 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001567034309 1415908370 /nfs/dbraw/zinc/90/83/70/1415908370.db2.gz AJORBZLBPGQKNE-FUHWJXTLSA-N 0 0 342.439 2.530 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Br)c(O)c1 ZINC001567612466 1416209745 /nfs/dbraw/zinc/20/97/45/1416209745.db2.gz YBDXCKRSNVHJGV-UHFFFAOYSA-N 0 0 338.157 2.747 10 10 EFCERN C[C@@H](NC(=O)c1cccc2nc[nH]c(=O)c21)c1ccc(N(C)C)cc1 ZINC001567777398 1416281991 /nfs/dbraw/zinc/28/19/91/1416281991.db2.gz VUGCZXNOBXFLAT-GFCCVEGCSA-N 0 0 336.395 2.892 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c1 ZINC001567835431 1416293890 /nfs/dbraw/zinc/29/38/90/1416293890.db2.gz WXQOTUFBENHDRV-ZWKOTPCHSA-N 0 0 340.423 2.796 10 10 EFCERN CN(C)Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001568209163 1416441759 /nfs/dbraw/zinc/44/17/59/1416441759.db2.gz OJDQRDTVRWYDKL-UHFFFAOYSA-N 0 0 334.803 2.994 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001683254835 1416679472 /nfs/dbraw/zinc/67/94/72/1416679472.db2.gz VAJYNRWNUPPVJC-MRXNPFEDSA-N 0 0 346.519 2.728 10 10 EFCERN Cc1cc(CCNC(=O)N2CC=C[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001684321913 1416717724 /nfs/dbraw/zinc/71/77/24/1416717724.db2.gz GPUAQZCOFWQGRH-LJQANCHMSA-N 0 0 339.439 2.579 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001684377907 1416719632 /nfs/dbraw/zinc/71/96/32/1416719632.db2.gz PPYSXCWXCSZNNP-PKOBYXMFSA-N 0 0 343.471 2.996 10 10 EFCERN C[C@H](NC(=O)NCc1ccccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001684392479 1416720057 /nfs/dbraw/zinc/72/00/57/1416720057.db2.gz LSHLTMLUWHIWFF-JTQLQIEISA-N 0 0 327.340 2.799 10 10 EFCERN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000124603162 1417121175 /nfs/dbraw/zinc/12/11/75/1417121175.db2.gz QUYQNTCGOVDSFV-CYBMUJFWSA-N 0 0 336.432 2.842 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CCOC)cc1 ZINC001695619862 1417291224 /nfs/dbraw/zinc/29/12/24/1417291224.db2.gz YGHLLDOTIUMTHY-UHFFFAOYSA-N 0 0 331.464 2.564 10 10 EFCERN CCCCC(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001721017749 1423393390 /nfs/dbraw/zinc/39/33/90/1423393390.db2.gz PXWPUOUGCHKLOP-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000890761450 713448126 /nfs/dbraw/zinc/44/81/26/713448126.db2.gz SOFHPWLKHZAKRQ-CJNGLKHVSA-N 0 0 332.787 2.835 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc2nccn2c1 ZINC000804733218 713454703 /nfs/dbraw/zinc/45/47/03/713454703.db2.gz LVYZCKXWFJYASW-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(CC[C@@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000804735322 713455226 /nfs/dbraw/zinc/45/52/26/713455226.db2.gz USAKELALHRERAI-LBPRGKRZSA-N 0 0 328.206 2.730 10 10 EFCERN CCc1nc(C(=O)NCc2cc(Br)ccc2O)c(C)o1 ZINC000804735682 713455433 /nfs/dbraw/zinc/45/54/33/713455433.db2.gz GUHKJJFSZSXYMY-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN CC1(C)CC[C@@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804735773 713455508 /nfs/dbraw/zinc/45/55/08/713455508.db2.gz FEDSSDSCZHLQAX-LBPRGKRZSA-N 0 0 328.206 2.729 10 10 EFCERN CC(C)OCCCC(=O)NCc1cc(Br)ccc1O ZINC000804736535 713455826 /nfs/dbraw/zinc/45/58/26/713455826.db2.gz UNKZAEZHLMXVQG-UHFFFAOYSA-N 0 0 330.222 2.976 10 10 EFCERN CC(C)n1cnc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804736359 713455864 /nfs/dbraw/zinc/45/58/64/713455864.db2.gz SWFWUCNLQNADJV-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN CC[C@@H](C)[C@H](OC)C(=O)NCc1cc(Br)ccc1O ZINC000804739027 713456310 /nfs/dbraw/zinc/45/63/10/713456310.db2.gz NQUUOWOAXMKETO-RNCFNFMXSA-N 0 0 330.222 2.832 10 10 EFCERN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738164 713456477 /nfs/dbraw/zinc/45/64/77/713456477.db2.gz FFVKMRWZAGHJBN-ZANVPECISA-N 0 0 340.217 2.776 10 10 EFCERN O=C(C[C@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000804740658 713457115 /nfs/dbraw/zinc/45/71/15/713457115.db2.gz KHSRTBNZFTZIBY-SNVBAGLBSA-N 0 0 328.206 2.588 10 10 EFCERN Cc1nnc2c(NCc3cc(Br)ccc3O)nccn12 ZINC000804828080 713488160 /nfs/dbraw/zinc/48/81/60/713488160.db2.gz HIRZWVDLKNAUIX-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN CCn1cnc2c1ncnc2NCc1cc(Br)ccc1O ZINC000804827216 713488484 /nfs/dbraw/zinc/48/84/84/713488484.db2.gz MXDBEMNUFWQNKT-UHFFFAOYSA-N 0 0 348.204 2.926 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000255162700 713967058 /nfs/dbraw/zinc/96/70/58/713967058.db2.gz JSJFCMQBTQAHDJ-VURMDHGXSA-N 0 0 334.372 2.644 10 10 EFCERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000160761358 714462563 /nfs/dbraw/zinc/46/25/63/714462563.db2.gz XQCGHARMUPHYBX-MRXNPFEDSA-N 0 0 346.471 2.544 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)[nH]n1 ZINC000161079679 714983595 /nfs/dbraw/zinc/98/35/95/714983595.db2.gz GPTBJWFCZYTTGT-LLVKDONJSA-N 0 0 337.383 2.643 10 10 EFCERN CCCCC[C@@H](C)NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000066863864 715680923 /nfs/dbraw/zinc/68/09/23/715680923.db2.gz CEXQIRHHMCHWCS-QGZVFWFLSA-N 0 0 347.503 2.902 10 10 EFCERN COC(=O)C1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000179501516 717480994 /nfs/dbraw/zinc/48/09/94/717480994.db2.gz FITHBSDQRQFVGD-UHFFFAOYSA-N 0 0 342.486 2.721 10 10 EFCERN Cc1cc(O)c(CN2CCN(c3nccnc3C)CC2)c(Cl)c1 ZINC000840942470 717552662 /nfs/dbraw/zinc/55/26/62/717552662.db2.gz RFGFLHNQYNPPAB-UHFFFAOYSA-N 0 0 332.835 2.775 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC(C)(C)CO3)C2)cc1 ZINC000892685389 718667759 /nfs/dbraw/zinc/66/77/59/718667759.db2.gz KUMAMGAUDGBAPI-WMLDXEAASA-N 0 0 332.444 2.595 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cnccc1Cl ZINC000935945514 718744365 /nfs/dbraw/zinc/74/43/65/718744365.db2.gz ABXJBGSNIJIWLQ-UHFFFAOYSA-N 0 0 325.792 2.785 10 10 EFCERN CCOC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000066773453 719168444 /nfs/dbraw/zinc/16/84/44/719168444.db2.gz OGAFPOCBAQKIBV-UHFFFAOYSA-N 0 0 329.400 2.561 10 10 EFCERN CSC[C@@H]1NC(=O)N(Cc2ccc(N3CCC(C)CC3)cc2)C1=O ZINC000924607951 719254572 /nfs/dbraw/zinc/25/45/72/719254572.db2.gz YUXFPEDXFDNHDE-INIZCTEOSA-N 0 0 347.484 2.706 10 10 EFCERN CC(C)(C)OC(=O)NC1(CC(=O)NCc2c(O)cccc2F)CC1 ZINC000928713068 724590950 /nfs/dbraw/zinc/59/09/50/724590950.db2.gz ZSKYHHXTABZTIK-UHFFFAOYSA-N 0 0 338.379 2.595 10 10 EFCERN CNC(=O)[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)C(C)C ZINC000178587325 719818837 /nfs/dbraw/zinc/81/88/37/719818837.db2.gz JQQGJKJLDDDVED-AWEZNQCLSA-N 0 0 333.457 2.656 10 10 EFCERN C=C/C(C)=C/CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924256105 719918506 /nfs/dbraw/zinc/91/85/06/719918506.db2.gz XVJQPUPACUFESR-SYZQJQIISA-N 0 0 341.455 2.527 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000120220554 720027119 /nfs/dbraw/zinc/02/71/19/720027119.db2.gz KRVLIAPKLCIHDA-QGZVFWFLSA-N 0 0 349.475 2.872 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)/C=C/c2cncc(O)c2)cc1 ZINC000181897360 720062670 /nfs/dbraw/zinc/06/26/70/720062670.db2.gz NEFDEZIABYFHNM-JXMROGBWSA-N 0 0 325.412 2.963 10 10 EFCERN NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000893978486 720194227 /nfs/dbraw/zinc/19/42/27/720194227.db2.gz UETQVFQGROYSBE-LLVKDONJSA-N 0 0 345.212 2.524 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(C(F)(F)F)n1 ZINC000193785780 720951913 /nfs/dbraw/zinc/95/19/13/720951913.db2.gz HXPPPUPIZCMMIP-SSDOTTSWSA-N 0 0 346.330 2.934 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3ccn(C)c3C)CC2)cc1 ZINC000195133325 721101888 /nfs/dbraw/zinc/10/18/88/721101888.db2.gz TWMTZSCDCXDZCY-UHFFFAOYSA-N 0 0 327.428 2.695 10 10 EFCERN COC(=O)c1c(C[NH2+]CCOCC2CC2)c2cc(F)ccc2n1C ZINC000894254628 721759264 /nfs/dbraw/zinc/75/92/64/721759264.db2.gz REPMFFBLGLYDDD-UHFFFAOYSA-N 0 0 334.391 2.620 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000928131422 721966515 /nfs/dbraw/zinc/96/65/15/721966515.db2.gz CWDVUBNJVRIGRU-SNVBAGLBSA-N 0 0 346.334 2.969 10 10 EFCERN Cc1cc(C(=O)NC2(C(=O)N(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000840505238 722604651 /nfs/dbraw/zinc/60/46/51/722604651.db2.gz LYEYPMHVEDNBQT-UHFFFAOYSA-N 0 0 339.439 2.753 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCOc2ccccc21 ZINC000917583878 728760275 /nfs/dbraw/zinc/76/02/75/728760275.db2.gz ZBCQWCBCNSGLAV-LBPRGKRZSA-N 0 0 330.359 2.897 10 10 EFCERN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCN(c2cnccn2)CC1 ZINC000894591525 722786960 /nfs/dbraw/zinc/78/69/60/722786960.db2.gz DIHGYLZAMPICHG-UHFFFAOYSA-N 0 0 334.370 2.561 10 10 EFCERN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894881016 722937312 /nfs/dbraw/zinc/93/73/12/722937312.db2.gz KHRMNZXBEHLZDJ-NOZJJQNGSA-N 0 0 332.213 2.887 10 10 EFCERN COC(=O)c1c(CN2CC3(C2)CCCOC3)c2cc(F)ccc2n1C ZINC000894976629 723041556 /nfs/dbraw/zinc/04/15/56/723041556.db2.gz MHAMZWGHXHWWDE-UHFFFAOYSA-N 0 0 346.402 2.716 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)cc1F ZINC000895979983 723081647 /nfs/dbraw/zinc/08/16/47/723081647.db2.gz CKXOSXYEUCQDBV-CQSZACIVSA-N 0 0 349.450 2.545 10 10 EFCERN CCOC(=O)CN(Cc1nc(C(C)C)c[nH]1)Cc1ccccc1O ZINC000895055689 723100787 /nfs/dbraw/zinc/10/07/87/723100787.db2.gz VPPOOYYNMBPXQY-UHFFFAOYSA-N 0 0 331.416 2.804 10 10 EFCERN O=C(NC[C@H](O)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896133169 723152326 /nfs/dbraw/zinc/15/23/26/723152326.db2.gz NMDINHBHYYSFDT-AWEZNQCLSA-N 0 0 335.425 2.984 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896162131 723163137 /nfs/dbraw/zinc/16/31/37/723163137.db2.gz AZFYZMBOGODXTD-OCCSQVGLSA-N 0 0 348.443 2.615 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896162130 723170594 /nfs/dbraw/zinc/17/05/94/723170594.db2.gz AZFYZMBOGODXTD-JSGCOSHPSA-N 0 0 348.443 2.615 10 10 EFCERN COCCN(CCF)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895251826 723943921 /nfs/dbraw/zinc/94/39/21/723943921.db2.gz XNGJOACKTWNJME-UHFFFAOYSA-N 0 0 340.370 2.522 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918335426 728865247 /nfs/dbraw/zinc/86/52/47/728865247.db2.gz XBMGAIYWMQLQHH-CYBMUJFWSA-N 0 0 332.425 2.791 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC2(CCC2)CO1 ZINC000925126040 724013677 /nfs/dbraw/zinc/01/36/77/724013677.db2.gz MFEKBTUQZOQUEM-HNNXBMFYSA-N 0 0 344.411 2.506 10 10 EFCERN O=C1N(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C[C@H]2CCCCN12 ZINC000895345231 724053730 /nfs/dbraw/zinc/05/37/30/724053730.db2.gz YPYHHPLPXBCWRX-CYBMUJFWSA-N 0 0 341.814 2.564 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000897158095 724054775 /nfs/dbraw/zinc/05/47/75/724054775.db2.gz AWQDEZFSGKCMNY-MNOVXSKESA-N 0 0 333.409 2.811 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376706 724087434 /nfs/dbraw/zinc/08/74/34/724087434.db2.gz IKRYBXYZENCDTG-QWHCGFSZSA-N 0 0 348.418 2.554 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376705 724087610 /nfs/dbraw/zinc/08/76/10/724087610.db2.gz IKRYBXYZENCDTG-OLZOCXBDSA-N 0 0 348.418 2.554 10 10 EFCERN Cc1cc(Br)cc(CN2CCNC(=O)CC2(C)C)c1O ZINC000895399370 724116991 /nfs/dbraw/zinc/11/69/91/724116991.db2.gz BAVOKZFNXXJGBU-UHFFFAOYSA-N 0 0 341.249 2.564 10 10 EFCERN O=S1(=O)CC(C2CN(Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000895428768 724128333 /nfs/dbraw/zinc/12/83/33/724128333.db2.gz XNZWWZLIPHYHHM-UHFFFAOYSA-N 0 0 343.448 2.536 10 10 EFCERN COc1ccc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000895485340 724162016 /nfs/dbraw/zinc/16/20/16/724162016.db2.gz QMBVKKPWYUBEQC-UHFFFAOYSA-N 0 0 327.428 2.747 10 10 EFCERN COC(=O)CCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895512080 724175368 /nfs/dbraw/zinc/17/53/68/724175368.db2.gz HNPJYSWTGLKNSB-UHFFFAOYSA-N 0 0 337.397 2.776 10 10 EFCERN C[C@@H]1CO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 ZINC000895601995 724215743 /nfs/dbraw/zinc/21/57/43/724215743.db2.gz UOGRZJPMMQQNQW-ZYSHUDEJSA-N 0 0 346.471 2.685 10 10 EFCERN COC(=O)[C@@H](CC1CCOCC1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895593660 724219358 /nfs/dbraw/zinc/21/93/58/724219358.db2.gz WXUORZSUFVSHRF-PHWHVTFISA-N 0 0 346.471 2.714 10 10 EFCERN COC(=O)c1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n(C)c1C ZINC000895646865 724234579 /nfs/dbraw/zinc/23/45/79/724234579.db2.gz PKCQJKVIUGDJBH-UHFFFAOYSA-N 0 0 340.782 2.908 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000895786431 724313395 /nfs/dbraw/zinc/31/33/95/724313395.db2.gz SJWKOEYQKUHNCD-RISCZKNCSA-N 0 0 346.761 2.659 10 10 EFCERN COC(=O)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895834127 724341801 /nfs/dbraw/zinc/34/18/01/724341801.db2.gz QTRDUKZSQTXBJQ-UHFFFAOYSA-N 0 0 349.408 2.728 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836831 724343746 /nfs/dbraw/zinc/34/37/46/724343746.db2.gz PKQAWRKHPQQJAR-GFCCVEGCSA-N 0 0 327.705 2.931 10 10 EFCERN CCCOc1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)OC)cc1C ZINC000895865958 724360875 /nfs/dbraw/zinc/36/08/75/724360875.db2.gz RKLPNVVZKUBPOH-SJORKVTESA-N 0 0 335.444 2.984 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CO)c(F)c2)c1 ZINC000729048654 724857313 /nfs/dbraw/zinc/85/73/13/724857313.db2.gz FYEIJPMLTNNELW-LLVKDONJSA-N 0 0 348.374 2.593 10 10 EFCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)Cc2c[nH]nc21 ZINC000913581734 725529806 /nfs/dbraw/zinc/52/98/06/725529806.db2.gz CXVLEISWCIVCJX-MRVPVSSYSA-N 0 0 329.381 2.795 10 10 EFCERN CO[C@@H](C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000741083629 725775966 /nfs/dbraw/zinc/77/59/66/725775966.db2.gz VFLGMYRCEUNBDE-ZDUSSCGKSA-N 0 0 325.428 2.847 10 10 EFCERN Cc1cc(CN2CCS(=O)(=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000151609286 725789172 /nfs/dbraw/zinc/78/91/72/725789172.db2.gz GLPZTSFEKMALGN-CYBMUJFWSA-N 0 0 325.474 2.617 10 10 EFCERN COC(=O)C12CCC(CC1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000913668183 725801570 /nfs/dbraw/zinc/80/15/70/725801570.db2.gz UWELIHSXBHGQIE-UHFFFAOYSA-N 0 0 347.392 2.623 10 10 EFCERN C[C@@H]1CC(=O)Nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2N1 ZINC000913726285 725837153 /nfs/dbraw/zinc/83/71/53/725837153.db2.gz LRSQAYNUWXCEMN-LLVKDONJSA-N 0 0 337.379 2.691 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)nc1)NCc1c(O)cccc1F ZINC000914032281 725988509 /nfs/dbraw/zinc/98/85/09/725988509.db2.gz VRUUJBUTXQTYST-UHFFFAOYSA-N 0 0 344.390 2.526 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccc(N(C)C)n1 ZINC000152357033 725997332 /nfs/dbraw/zinc/99/73/32/725997332.db2.gz TWGZOHJLQNZGSV-UHFFFAOYSA-N 0 0 349.394 2.641 10 10 EFCERN COCCOc1cccc(CNC(=O)NCc2c(O)cccc2F)c1 ZINC000914111736 726051305 /nfs/dbraw/zinc/05/13/05/726051305.db2.gz ODJOZRIZCTURCC-UHFFFAOYSA-N 0 0 348.374 2.556 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180264 726154921 /nfs/dbraw/zinc/15/49/21/726154921.db2.gz JRUAIYASHMFOMV-UHFFFAOYSA-N 0 0 347.459 2.675 10 10 EFCERN COC[C@H](C)n1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897458472 726217002 /nfs/dbraw/zinc/21/70/02/726217002.db2.gz BSVYVMBHCIEWRM-VIFPVBQESA-N 0 0 347.396 2.969 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccccc1O ZINC000907057850 726855931 /nfs/dbraw/zinc/85/59/31/726855931.db2.gz ZPRMWDXUPRBIJO-SQWLQELKSA-N 0 0 346.427 2.511 10 10 EFCERN CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2ccccc2O)C1 ZINC000907057265 726856044 /nfs/dbraw/zinc/85/60/44/726856044.db2.gz TUBGPHFDWBVISR-UHFFFAOYSA-N 0 0 334.416 2.702 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(CC2CC2)s1 ZINC000907272705 726900082 /nfs/dbraw/zinc/90/00/82/726900082.db2.gz HVCFFPGCULPBFF-JTQLQIEISA-N 0 0 332.425 2.868 10 10 EFCERN C/C=C/C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OCC ZINC000907399358 726928561 /nfs/dbraw/zinc/92/85/61/726928561.db2.gz GKMAZMDKFWIVPZ-JOAKQRRISA-N 0 0 349.408 2.940 10 10 EFCERN COc1ccc(CCNC(=O)NCc2c(O)cccc2F)c(OC)c1 ZINC000915323184 726943214 /nfs/dbraw/zinc/94/32/14/726943214.db2.gz XHOKUPCTAGXKNF-UHFFFAOYSA-N 0 0 348.374 2.590 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ncoc3C(C)C)CC2)cc1 ZINC000731956532 726964546 /nfs/dbraw/zinc/96/45/46/726964546.db2.gz AWMZBPQIUBIEES-UHFFFAOYSA-N 0 0 329.400 2.769 10 10 EFCERN CCNC(=O)CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000732054066 726981545 /nfs/dbraw/zinc/98/15/45/726981545.db2.gz KHGQAHACEMGZPE-UHFFFAOYSA-N 0 0 341.455 2.669 10 10 EFCERN COc1c(C)cnc(CNC(=O)NCc2c(O)cccc2F)c1C ZINC000915488392 727007870 /nfs/dbraw/zinc/00/78/70/727007870.db2.gz UHVBZZZNPRUXTP-UHFFFAOYSA-N 0 0 333.363 2.551 10 10 EFCERN COc1ccc(CNC(=O)NCc2ccccc2O)c(C)c1OC ZINC000915524180 727088444 /nfs/dbraw/zinc/08/84/44/727088444.db2.gz BEDNGGYVUUEFTQ-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N(C)Cc3cc[nH]n3)cc2)CC1 ZINC000732677512 727181684 /nfs/dbraw/zinc/18/16/84/727181684.db2.gz OICFEXRBRCSGSL-UHFFFAOYSA-N 0 0 341.459 2.988 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc([C@H]2CCCOC2)c1 ZINC000910949313 727472686 /nfs/dbraw/zinc/47/26/86/727472686.db2.gz INPPISFSZYIUKS-INIZCTEOSA-N 0 0 327.380 2.922 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910951998 727472758 /nfs/dbraw/zinc/47/27/58/727472758.db2.gz OGWMHBSTTBEPIA-BZNIZROVSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000910957345 727473020 /nfs/dbraw/zinc/47/30/20/727473020.db2.gz SASSGHMKCZKGHR-HYVNUMGLSA-N 0 0 329.783 2.953 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCOC2(CCC2)C1 ZINC000911261222 727520388 /nfs/dbraw/zinc/52/03/88/727520388.db2.gz FCYFMSPKIAZEIQ-AWEZNQCLSA-N 0 0 326.396 2.906 10 10 EFCERN C[C@H]1CCc2nc(C(=O)NCc3ccc4cccnc4c3O)cn2C1 ZINC000911261717 727520696 /nfs/dbraw/zinc/52/06/96/727520696.db2.gz LAXHVMSOWNFJIP-LBPRGKRZSA-N 0 0 336.395 2.649 10 10 EFCERN Cc1ncc(/C=C\C(=O)N2C[C@H](CO)Cc3cccc(F)c32)s1 ZINC000911696678 727584779 /nfs/dbraw/zinc/58/47/79/727584779.db2.gz QEXQWKMMORCTNQ-FOQNGQEVSA-N 0 0 332.400 2.802 10 10 EFCERN CC(C)OC(=O)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000733044098 727632388 /nfs/dbraw/zinc/63/23/88/727632388.db2.gz JUDOAOPDDRJYGO-UHFFFAOYSA-N 0 0 349.431 2.543 10 10 EFCERN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cn(-c2ccccc2)nn1 ZINC000154138214 727718831 /nfs/dbraw/zinc/71/88/31/727718831.db2.gz TYIZHBSIQQCNRH-GFCCVEGCSA-N 0 0 338.367 2.552 10 10 EFCERN CCn1cc(CN(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000733793208 727735420 /nfs/dbraw/zinc/73/54/20/727735420.db2.gz MYMJGPIXQPEGIQ-VURMDHGXSA-N 0 0 344.371 2.634 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(C2CC2)CCC1 ZINC000912709398 727735837 /nfs/dbraw/zinc/73/58/37/727735837.db2.gz KEVCMRWJFGVOAL-UHFFFAOYSA-N 0 0 328.456 2.844 10 10 EFCERN CN=[S@@](C)(=O)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000912795708 727745426 /nfs/dbraw/zinc/74/54/26/727745426.db2.gz QZEIDAPYONBNDU-QFIPXVFZSA-N 0 0 339.486 2.613 10 10 EFCERN O=C1N[C@H](c2ccc(N3CCOCC3)cc2)Nc2cc(F)ccc21 ZINC000917499999 727812980 /nfs/dbraw/zinc/81/29/80/727812980.db2.gz RMRGNHFJPLBPPC-QGZVFWFLSA-N 0 0 327.359 2.516 10 10 EFCERN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(O)c(C)c2)cn1 ZINC000913528335 727866614 /nfs/dbraw/zinc/86/66/14/727866614.db2.gz TZPCCPXGEVXJMF-UHFFFAOYSA-N 0 0 339.399 2.594 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000044649051 727914666 /nfs/dbraw/zinc/91/46/66/727914666.db2.gz CVYWQUFBUWDAHI-HNNXBMFYSA-N 0 0 339.505 2.551 10 10 EFCERN CCc1noc([C@H](C)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164322980 727934057 /nfs/dbraw/zinc/93/40/57/727934057.db2.gz NCLXHJJEBQMTAF-HNNXBMFYSA-N 0 0 344.459 2.833 10 10 EFCERN COc1ccc(/C=C(\C)C(=O)NCc2ccc(O)c(O)c2)cc1F ZINC000183331108 728044431 /nfs/dbraw/zinc/04/44/31/728044431.db2.gz AMVIXPHNFPKARM-YRNVUSSQSA-N 0 0 331.343 2.965 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)on1 ZINC000183432586 728078663 /nfs/dbraw/zinc/07/86/63/728078663.db2.gz KZXOUPZZFRGUDD-NSHDSACASA-N 0 0 339.351 2.509 10 10 EFCERN CCOc1c(F)cccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183479796 728128132 /nfs/dbraw/zinc/12/81/32/728128132.db2.gz WAPPFXZQYOCKMJ-NSHDSACASA-N 0 0 333.359 2.997 10 10 EFCERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccc(O)c(O)c1 ZINC000182550688 728221122 /nfs/dbraw/zinc/22/11/22/728221122.db2.gz IYLZCKWAWMEVMB-UHFFFAOYSA-N 0 0 335.306 2.655 10 10 EFCERN CS(=O)(=O)c1cccc(Cl)c1CNCc1ccccc1O ZINC000168984122 728335186 /nfs/dbraw/zinc/33/51/86/728335186.db2.gz LLXIUYOZURDPNI-UHFFFAOYSA-N 0 0 325.817 2.739 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCC3CCOCC3)CC2)cc1 ZINC000173060156 728614973 /nfs/dbraw/zinc/61/49/73/728614973.db2.gz FSRAAWMBWKHUCT-UHFFFAOYSA-N 0 0 332.444 2.551 10 10 EFCERN CCN1C(=O)/C(=C/c2cn(C)nc2-c2ccncc2)SC1=S ZINC000063274618 728618576 /nfs/dbraw/zinc/61/85/76/728618576.db2.gz GGOAJQJDCLOAHN-WQLSENKSSA-N 0 0 330.438 2.703 10 10 EFCERN CC(C)Cn1ccnc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000173459668 728625824 /nfs/dbraw/zinc/62/58/24/728625824.db2.gz ILDRQWNHABMNBH-UHFFFAOYSA-N 0 0 347.438 2.744 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000173710625 728634123 /nfs/dbraw/zinc/63/41/23/728634123.db2.gz JBZVZLJXZRBWAM-ZDUSSCGKSA-N 0 0 343.475 2.533 10 10 EFCERN COc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000174473419 728666850 /nfs/dbraw/zinc/66/68/50/728666850.db2.gz YRZPBLQQKGUELQ-UHFFFAOYSA-N 0 0 341.411 2.674 10 10 EFCERN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000174523419 728668513 /nfs/dbraw/zinc/66/85/13/728668513.db2.gz DYXLALOLUYFKGV-UHFFFAOYSA-N 0 0 346.814 2.951 10 10 EFCERN C[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCCO1 ZINC000919918328 729110245 /nfs/dbraw/zinc/11/02/45/729110245.db2.gz LZJIMIINBNALSV-IBGZPJMESA-N 0 0 329.444 2.821 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)N[C@@H](c1ncccn1)C1CC1 ZINC000925478234 729150868 /nfs/dbraw/zinc/15/08/68/729150868.db2.gz HYVZAMFYGRNKPB-CQSZACIVSA-N 0 0 332.791 2.786 10 10 EFCERN CCc1ccc([C@@H](COC)NC(=O)NCc2c(O)cccc2F)o1 ZINC000920339546 729174966 /nfs/dbraw/zinc/17/49/66/729174966.db2.gz JGAGMYSNAIAGJU-CQSZACIVSA-N 0 0 336.363 2.874 10 10 EFCERN COc1ccc(O[C@@H](C)CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000920702255 729221593 /nfs/dbraw/zinc/22/15/93/729221593.db2.gz JHHFGZRMQYLAIE-LBPRGKRZSA-N 0 0 348.374 2.807 10 10 EFCERN O=C(NCCCSc1nccs1)N1CCOC[C@@H]1CC1CC1 ZINC000921447413 729459878 /nfs/dbraw/zinc/45/98/78/729459878.db2.gz ICVIWZAJFZAUEU-ZDUSSCGKSA-N 0 0 341.502 2.836 10 10 EFCERN O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1c(O)cccc1F ZINC000921450850 729460397 /nfs/dbraw/zinc/46/03/97/729460397.db2.gz GJODQQIOFSYSEG-SNVBAGLBSA-N 0 0 337.363 2.776 10 10 EFCERN C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921452791 729460710 /nfs/dbraw/zinc/46/07/10/729460710.db2.gz ZPOZQRWHPYRVDD-LBPRGKRZSA-N 0 0 345.436 2.546 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@H]1CCc2ccccc2C1 ZINC000921452489 729460852 /nfs/dbraw/zinc/46/08/52/729460852.db2.gz QPOCUCOQEAFNOT-AWEZNQCLSA-N 0 0 335.400 2.508 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175507019 729505831 /nfs/dbraw/zinc/50/58/31/729505831.db2.gz ICMUXOCPTBRWND-HOTGVXAUSA-N 0 0 339.391 2.926 10 10 EFCERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1O ZINC000245856241 729709707 /nfs/dbraw/zinc/70/97/07/729709707.db2.gz DPEZIRQMYKFVEG-FZMZJTMJSA-N 0 0 325.250 2.823 10 10 EFCERN O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001348815250 1126182757 /nfs/dbraw/zinc/18/27/57/1126182757.db2.gz RBZZCXAWCBBMIX-QGZVFWFLSA-N 0 0 345.468 2.919 10 10 EFCERN CCOC1CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC001569667697 1085499269 /nfs/dbraw/zinc/49/92/69/1085499269.db2.gz NVVVUGTVKNZDSX-UHFFFAOYSA-N 0 0 340.423 2.696 10 10 EFCERN CC(=O)N(c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1)C1CC1 ZINC001569740309 1085582227 /nfs/dbraw/zinc/58/22/27/1085582227.db2.gz ZEDFVDCMKUNPIS-UHFFFAOYSA-N 0 0 340.379 2.794 10 10 EFCERN CCc1c[nH]c(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001570017489 1085866405 /nfs/dbraw/zinc/86/64/05/1085866405.db2.gz NXUHGMZMORHHAX-UHFFFAOYSA-N 0 0 346.394 2.863 10 10 EFCERN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570049174 1085903739 /nfs/dbraw/zinc/90/37/39/1085903739.db2.gz CQTYXBAECQXMHH-CYBMUJFWSA-N 0 0 344.386 2.517 10 10 EFCERN CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(O)cc1O ZINC001570462510 1086257044 /nfs/dbraw/zinc/25/70/44/1086257044.db2.gz WDOADZWUTCVQJP-UHFFFAOYSA-N 0 0 345.786 2.891 10 10 EFCERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O ZINC001570463161 1086258457 /nfs/dbraw/zinc/25/84/57/1086258457.db2.gz IDQWYEAJBUHYKG-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN CSc1cccc(C(=O)NCc2ccc(O)cc2O)c1[N+](=O)[O-] ZINC001570463645 1086258469 /nfs/dbraw/zinc/25/84/69/1086258469.db2.gz VKZGMKWUEINGKU-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN COc1cc(C)c([S@](C)=O)cc1OC(=O)C1=CC(=O)CS1 ZINC001570510910 1086298252 /nfs/dbraw/zinc/29/82/52/1086298252.db2.gz PLKQLFITOUMHHF-NRFANRHFSA-N 0 0 326.395 2.727 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1F ZINC001570515071 1086301143 /nfs/dbraw/zinc/30/11/43/1086301143.db2.gz ZSHIXJUADVWNMX-UHFFFAOYSA-N 0 0 349.333 2.876 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1coc2c1C(=O)CCC2 ZINC001570533707 1086324390 /nfs/dbraw/zinc/32/43/90/1086324390.db2.gz NLRHUYXPNKOFBN-UHFFFAOYSA-N 0 0 336.347 2.982 10 10 EFCERN O=C(Cc1cnn2c1CCCC2)NCc1c(O)ccc2ccccc21 ZINC001647790954 1089879262 /nfs/dbraw/zinc/87/92/62/1089879262.db2.gz CUWQBMFHBLRCPC-UHFFFAOYSA-N 0 0 335.407 2.937 10 10 EFCERN C[C@@H]1CNc2c(C(=O)NCc3c(O)ccc4ccccc43)cnn2C1 ZINC001647791012 1089880371 /nfs/dbraw/zinc/88/03/71/1089880371.db2.gz GFICCNNXMPMSBY-GFCCVEGCSA-N 0 0 336.395 2.734 10 10 EFCERN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001647827010 1089888363 /nfs/dbraw/zinc/88/83/63/1089888363.db2.gz SKOKSFCUACMWPK-MHWRWJLKSA-N 0 0 344.798 2.839 10 10 EFCERN C[S@@](=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001647830000 1089888963 /nfs/dbraw/zinc/88/89/63/1089888963.db2.gz DCAYWHMJASZQOS-JOCHJYFZSA-N 0 0 337.828 2.642 10 10 EFCERN Cc1noc(Cc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC001648071050 1089937716 /nfs/dbraw/zinc/93/77/16/1089937716.db2.gz JGOBGPZENXVYAG-UHFFFAOYSA-N 0 0 339.351 2.941 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC001583676733 1092057048 /nfs/dbraw/zinc/05/70/48/1092057048.db2.gz PIFQCKUNUXYJHS-JKSUJKDBSA-N 0 0 339.439 2.899 10 10 EFCERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1O ZINC001583816510 1092072053 /nfs/dbraw/zinc/07/20/53/1092072053.db2.gz IQHSRKXNKIMXCR-UHFFFAOYSA-N 0 0 335.747 2.926 10 10 EFCERN Cc1cc(C(=O)Nc2cnc3ccnn3c2)c(C)n1-c1ccccn1 ZINC001648676439 1092251901 /nfs/dbraw/zinc/25/19/01/1092251901.db2.gz GDGVDRPVXDKDPF-UHFFFAOYSA-N 0 0 332.367 2.784 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCc3cnccn3)c2C)cc1 ZINC001648763659 1092266037 /nfs/dbraw/zinc/26/60/37/1092266037.db2.gz OWFYSKNFXKPDJC-UHFFFAOYSA-N 0 0 336.395 2.823 10 10 EFCERN COc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)cn1 ZINC001584946865 1092335915 /nfs/dbraw/zinc/33/59/15/1092335915.db2.gz KCMSXAOKEKZGFG-HMDXOVGESA-N 0 0 347.321 2.591 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)c1 ZINC001584984004 1092346303 /nfs/dbraw/zinc/34/63/03/1092346303.db2.gz YSODAFWVISQTCL-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1cc[nH]n1 ZINC001585942614 1092625922 /nfs/dbraw/zinc/62/59/22/1092625922.db2.gz KATNAEUFRIUGJA-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C2CCC2)nn1 ZINC000843606365 1092641752 /nfs/dbraw/zinc/64/17/52/1092641752.db2.gz AEQUNUJDXJACCL-AWEZNQCLSA-N 0 0 341.459 2.739 10 10 EFCERN Cc1cc(CCNC(=O)[C@H]2CC(C)=NO2)c(C)n1-c1ccccc1 ZINC001586622322 1092747284 /nfs/dbraw/zinc/74/72/84/1092747284.db2.gz QDWRNKJFZCBIMC-GOSISDBHSA-N 0 0 325.412 2.918 10 10 EFCERN Cc1cc(CCNC(=O)[C@@H]2CC(C)=NO2)c(C)n1-c1ccccc1 ZINC001586622323 1092747510 /nfs/dbraw/zinc/74/75/10/1092747510.db2.gz QDWRNKJFZCBIMC-SFHVURJKSA-N 0 0 325.412 2.918 10 10 EFCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccccc2)CO1 ZINC001586938265 1092769778 /nfs/dbraw/zinc/76/97/78/1092769778.db2.gz HISACPBGOGGTBL-BBRMVZONSA-N 0 0 327.380 2.629 10 10 EFCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)CO1 ZINC001586938268 1092770172 /nfs/dbraw/zinc/77/01/72/1092770172.db2.gz HISACPBGOGGTBL-XJKSGUPXSA-N 0 0 327.380 2.629 10 10 EFCERN Cc1c(Br)cnn1CC(=O)N[C@@H](C)c1ccccc1O ZINC001587451499 1092813431 /nfs/dbraw/zinc/81/34/31/1092813431.db2.gz XKQJCJYVMPHCFF-VIFPVBQESA-N 0 0 338.205 2.537 10 10 EFCERN C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1O ZINC001587444316 1092813527 /nfs/dbraw/zinc/81/35/27/1092813527.db2.gz CLNAFOBJXVXCPP-GFCCVEGCSA-N 0 0 337.379 2.851 10 10 EFCERN COc1ccc(N2CCN(C(=O)C(F)=C3CCC3)CC2)c(OC)c1 ZINC001587490046 1092815634 /nfs/dbraw/zinc/81/56/34/1092815634.db2.gz CSMFVWKAPXSACR-UHFFFAOYSA-N 0 0 334.391 2.760 10 10 EFCERN Cc1nnc2ccc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)cn12 ZINC001587552345 1092821562 /nfs/dbraw/zinc/82/15/62/1092821562.db2.gz PJDCRBPQEMSHNG-UHFFFAOYSA-N 0 0 349.438 2.910 10 10 EFCERN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1=CC(=O)CS1 ZINC001587577254 1092825621 /nfs/dbraw/zinc/82/56/21/1092825621.db2.gz UABOGLNZBMBBAR-UHFFFAOYSA-N 0 0 327.409 2.971 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001588183691 1092900670 /nfs/dbraw/zinc/90/06/70/1092900670.db2.gz LGILQGSRYKYVOW-UHFFFAOYSA-N 0 0 329.356 2.935 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)c1ccc(F)cc1 ZINC001588313557 1092916712 /nfs/dbraw/zinc/91/67/12/1092916712.db2.gz RHUXPYLLGIFLRN-MEBBXXQBSA-N 0 0 344.346 2.840 10 10 EFCERN CN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000708089140 1092971896 /nfs/dbraw/zinc/97/18/96/1092971896.db2.gz KENCELUUIFSEQI-NSHDSACASA-N 0 0 333.657 2.992 10 10 EFCERN CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CC[NH2+]C1 ZINC000708087917 1092972062 /nfs/dbraw/zinc/97/20/62/1092972062.db2.gz FCTYSWAHYMGGFS-NSHDSACASA-N 0 0 333.657 2.992 10 10 EFCERN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708089096 1092973145 /nfs/dbraw/zinc/97/31/45/1092973145.db2.gz JZYVSTFQWVURLD-DTWKUNHWSA-N 0 0 333.657 2.990 10 10 EFCERN CCCOc1ccnc(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC001650659399 1093480072 /nfs/dbraw/zinc/48/00/72/1093480072.db2.gz UTEQZXXZKIYVQS-UHFFFAOYSA-N 0 0 342.443 2.991 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](n3ccnc3)C2)cc1OC ZINC001650726547 1093487911 /nfs/dbraw/zinc/48/79/11/1093487911.db2.gz FXOXMMWIDXDNDE-GFCCVEGCSA-N 0 0 332.360 2.650 10 10 EFCERN C[C@H](Nc1nc(Cl)nc2[nH]c(=O)[nH]c21)c1ccc(N(C)C)cc1 ZINC001650985938 1093516044 /nfs/dbraw/zinc/51/60/44/1093516044.db2.gz HKSWHTAYJGAFRR-QMMMGPOBSA-N 0 0 332.795 2.951 10 10 EFCERN COc1cc(CCNC(=O)c2c(F)ccc(O)c2O)ccc1Cl ZINC001651039949 1093520581 /nfs/dbraw/zinc/52/05/81/1093520581.db2.gz NRSXLMXSZHECKN-UHFFFAOYSA-N 0 0 339.750 2.871 10 10 EFCERN O=C(Cc1ccccc1C(F)(F)F)NCc1cccc(O)c1O ZINC001651173135 1093535658 /nfs/dbraw/zinc/53/56/58/1093535658.db2.gz RKYQVDXRAPUSEE-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1 ZINC001651225333 1093542348 /nfs/dbraw/zinc/54/23/48/1093542348.db2.gz FYWDUWYMGCBXNQ-MRXNPFEDSA-N 0 0 349.427 2.862 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(-c2csnn2)cc1 ZINC001651225815 1093542572 /nfs/dbraw/zinc/54/25/72/1093542572.db2.gz ZIGPKJHAYARQRS-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1ccc(C(=O)N2CC(c3cnc4ccccc4n3)C2)c(O)c1O ZINC001651230832 1093542823 /nfs/dbraw/zinc/54/28/23/1093542823.db2.gz NGRVKOPXHRYOHL-UHFFFAOYSA-N 0 0 335.363 2.589 10 10 EFCERN COc1ccc(/C=C(\C)C(=O)NCc2cccc(O)c2O)cc1F ZINC001593739296 1094410299 /nfs/dbraw/zinc/41/02/99/1094410299.db2.gz JWFOBJZMJLOFTI-DHZHZOJOSA-N 0 0 331.343 2.965 10 10 EFCERN CSc1ccc(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] ZINC001593869820 1094412242 /nfs/dbraw/zinc/41/22/42/1094412242.db2.gz XBOLYVLSBCAMBI-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN COc1ccc(C(=O)NCc2cc(O)ccc2O)c(OCC2CC2)c1 ZINC001593872765 1094412409 /nfs/dbraw/zinc/41/24/09/1094412409.db2.gz DIIYADPUWXUOMH-UHFFFAOYSA-N 0 0 343.379 2.825 10 10 EFCERN Cc1nc(-c2c[nH]c(C(=O)NCc3cc(O)ccc3O)c2)cs1 ZINC001593869966 1094412574 /nfs/dbraw/zinc/41/25/74/1094412574.db2.gz ZKNYGGNCECNILR-UHFFFAOYSA-N 0 0 329.381 2.788 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593873743 1094414040 /nfs/dbraw/zinc/41/40/40/1094414040.db2.gz ZGOGXNSQDZGUCG-BDJLRTHQSA-N 0 0 340.379 2.622 10 10 EFCERN CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001595436122 1094468031 /nfs/dbraw/zinc/46/80/31/1094468031.db2.gz RVZNJALRTWBCLP-UHFFFAOYSA-N 0 0 332.444 2.882 10 10 EFCERN CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC001595435788 1094468651 /nfs/dbraw/zinc/46/86/51/1094468651.db2.gz KVLJGVPWUAGTIZ-UHFFFAOYSA-N 0 0 327.428 2.871 10 10 EFCERN O=C(C[C@H]1CSc2ccccc2O1)NCc1ccc(O)c(O)c1 ZINC001595595591 1094478395 /nfs/dbraw/zinc/47/83/95/1094478395.db2.gz GZURGRIKDLKRQI-LBPRGKRZSA-N 0 0 331.393 2.657 10 10 EFCERN COc1cccc(CNC(=O)Cc2c[nH]c3cnc(Cl)cc23)c1O ZINC001595799957 1094495370 /nfs/dbraw/zinc/49/53/70/1094495370.db2.gz LLHFSJSBBDBYJP-UHFFFAOYSA-N 0 0 345.786 2.789 10 10 EFCERN O=C(NCCc1cccc(O)c1)c1cc2cc(O)c(O)cc2s1 ZINC001595793681 1094495774 /nfs/dbraw/zinc/49/57/74/1094495774.db2.gz ZFCNSRPCLKFEAV-UHFFFAOYSA-N 0 0 329.377 2.991 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N(CCO)CCc2ccccc2)cc1 ZINC001596508699 1094534589 /nfs/dbraw/zinc/53/45/89/1094534589.db2.gz XYXBOJUULGICEX-UHFFFAOYSA-N 0 0 340.383 2.526 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(C)OCCO1 ZINC001596716416 1094543686 /nfs/dbraw/zinc/54/36/86/1094543686.db2.gz UYJGKXBIAJBVBI-UHFFFAOYSA-N 0 0 328.412 2.895 10 10 EFCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](c2ccccc2)O1 ZINC001597306306 1094578998 /nfs/dbraw/zinc/57/89/98/1094578998.db2.gz WIWVLWZYFIXVQR-SCLBCKFNSA-N 0 0 327.380 2.629 10 10 EFCERN CCOc1ccccc1OCCCC(=O)NCc1c(O)cccc1O ZINC001597568131 1094599761 /nfs/dbraw/zinc/59/97/61/1094599761.db2.gz AKMJLSOGTFAFNM-UHFFFAOYSA-N 0 0 345.395 2.972 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1nc2ccccc2nc1C1CC1 ZINC001597575060 1094602144 /nfs/dbraw/zinc/60/21/44/1094602144.db2.gz YMLRIJQKRFANTH-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN COC(=O)[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001597749253 1094619021 /nfs/dbraw/zinc/61/90/21/1094619021.db2.gz YMDHVDRHKJNCBE-QGZVFWFLSA-N 0 0 326.396 2.790 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(OC)nsc1OC ZINC001597780325 1094622475 /nfs/dbraw/zinc/62/24/75/1094622475.db2.gz HFGDOUGLJSHHHO-UHFFFAOYSA-N 0 0 349.456 2.889 10 10 EFCERN CCc1[nH]c(=O)c(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC001597854524 1094631552 /nfs/dbraw/zinc/63/15/52/1094631552.db2.gz FYPUICJCSYYBMU-UHFFFAOYSA-N 0 0 339.439 2.970 10 10 EFCERN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cccc(O)c1O ZINC001597866888 1094634085 /nfs/dbraw/zinc/63/40/85/1094634085.db2.gz ZPAVUTXFXNQWOZ-CYBMUJFWSA-N 0 0 327.258 2.946 10 10 EFCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCc1cn[nH]c1 ZINC001598419718 1094677069 /nfs/dbraw/zinc/67/70/69/1094677069.db2.gz LPHPWOSPSJBPNM-UHFFFAOYSA-N 0 0 340.431 2.709 10 10 EFCERN Cn1cc(C(C)(C)C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000785235084 1094747938 /nfs/dbraw/zinc/74/79/38/1094747938.db2.gz XMCCBQZQILQEDH-UHFFFAOYSA-N 0 0 326.444 2.614 10 10 EFCERN CSc1nc(=O)[nH]c(C)c1C(=O)NCc1cccc(Cl)c1O ZINC001606860708 1097463462 /nfs/dbraw/zinc/46/34/62/1097463462.db2.gz QKUKDDMETNKQMJ-UHFFFAOYSA-N 0 0 339.804 2.502 10 10 EFCERN CCOc1cccc(N2CCC(NC(=O)C3=CC(=O)CS3)CC2)n1 ZINC001607320740 1097599774 /nfs/dbraw/zinc/59/97/74/1097599774.db2.gz JUCBUFZAQPJIMC-UHFFFAOYSA-N 0 0 347.440 2.646 10 10 EFCERN COc1ncc(/C=C\C(=O)N(C)c2ccc(Br)cc2)cn1 ZINC001611014243 1098972334 /nfs/dbraw/zinc/97/23/34/1098972334.db2.gz PULLPZMUSJFKHJ-BAQGIRSFSA-N 0 0 348.200 2.924 10 10 EFCERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1noc(-c2ccccc2)n1 ZINC001611042869 1098973575 /nfs/dbraw/zinc/97/35/75/1098973575.db2.gz JIPGHWBDBZVWBH-SECBINFHSA-N 0 0 343.314 2.778 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001611430486 1099009725 /nfs/dbraw/zinc/00/97/25/1099009725.db2.gz DHCCUHRVLKFKFG-NHYWBVRUSA-N 0 0 349.814 2.575 10 10 EFCERN CSc1nc(C(=O)NCc2c(O)cccc2F)c2ccccn21 ZINC001611667335 1099029473 /nfs/dbraw/zinc/02/94/73/1099029473.db2.gz YNPQGCRDMFLNHF-UHFFFAOYSA-N 0 0 331.372 2.831 10 10 EFCERN CCOC(=O)c1cnc(N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001611764416 1099032696 /nfs/dbraw/zinc/03/26/96/1099032696.db2.gz FCPKHAJIXHWQSL-UHFFFAOYSA-N 0 0 340.427 2.890 10 10 EFCERN Cc1ncsc1CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001611852731 1099035809 /nfs/dbraw/zinc/03/58/09/1099035809.db2.gz FEPHJHQIVAHYHX-UHFFFAOYSA-N 0 0 343.456 2.936 10 10 EFCERN C[S@](=O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001612023411 1099041684 /nfs/dbraw/zinc/04/16/84/1099041684.db2.gz MXVCIKPAWXUZFR-QHCPKHFHSA-N 0 0 332.381 2.616 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001612462124 1099060115 /nfs/dbraw/zinc/06/01/15/1099060115.db2.gz RBIRKTFLMRXJSI-MEPZIYLKSA-N 0 0 338.310 2.872 10 10 EFCERN CC[C@H](C)[C@@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001613103193 1099090679 /nfs/dbraw/zinc/09/06/79/1099090679.db2.gz VPVPKNJZUFWRNQ-UGSOOPFHSA-N 0 0 332.448 2.726 10 10 EFCERN COc1ccc2c(c1)OCC(C(=O)NCc1ccc(N(C)C)cc1)=C2 ZINC000014527368 1099137143 /nfs/dbraw/zinc/13/71/43/1099137143.db2.gz QYNJBEDAFZJXJK-UHFFFAOYSA-N 0 0 338.407 2.853 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1-c1ncc[nH]1 ZINC001626227287 1099169346 /nfs/dbraw/zinc/16/93/46/1099169346.db2.gz WFKFDAITRJHYAV-VURMDHGXSA-N 0 0 335.363 2.818 10 10 EFCERN CCOCCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001617191700 1099224111 /nfs/dbraw/zinc/22/41/11/1099224111.db2.gz QYAOLKBLGUEAAF-UHFFFAOYSA-N 0 0 332.448 2.855 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Oc2cccnn2)c1 ZINC001617349473 1099233582 /nfs/dbraw/zinc/23/35/82/1099233582.db2.gz GAGLCYMPWHGQTG-UHFFFAOYSA-N 0 0 337.335 2.861 10 10 EFCERN COC[C@@]1(C(=O)OC)CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001620451264 1099354483 /nfs/dbraw/zinc/35/44/83/1099354483.db2.gz WIVSGHBXGXMOEQ-LJQANCHMSA-N 0 0 334.460 2.605 10 10 EFCERN Cc1cnn(C)c1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001622309247 1099500528 /nfs/dbraw/zinc/50/05/28/1099500528.db2.gz HESGJIZTTONQMR-UHFFFAOYSA-N 0 0 325.368 2.870 10 10 EFCERN COC(=O)c1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001622411151 1099509126 /nfs/dbraw/zinc/50/91/26/1099509126.db2.gz CADWKZOKKNWCIK-UHFFFAOYSA-N 0 0 340.339 2.566 10 10 EFCERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001622664260 1099535574 /nfs/dbraw/zinc/53/55/74/1099535574.db2.gz NJRSCZSNPMIALE-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1c(F)ccc2ccncc21 ZINC001622753314 1099541704 /nfs/dbraw/zinc/54/17/04/1099541704.db2.gz QKVZXBSTSSKWCY-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(C=O)c2O)c1 ZINC001622778994 1099543040 /nfs/dbraw/zinc/54/30/40/1099543040.db2.gz FARWHDUHGDHNCT-LLVKDONJSA-N 0 0 329.352 2.718 10 10 EFCERN Nc1ccc(F)cc1C(=O)NCc1cccc(Br)c1O ZINC001623364698 1099581003 /nfs/dbraw/zinc/58/10/03/1099581003.db2.gz SSISLYBJUGKLIT-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CCCOc1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001623401077 1099583869 /nfs/dbraw/zinc/58/38/69/1099583869.db2.gz YHAFTBZOWOIIPQ-UHFFFAOYSA-N 0 0 329.396 2.788 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(O)c1F ZINC001623451519 1099590532 /nfs/dbraw/zinc/59/05/32/1099590532.db2.gz GQFLUJWRFUBSHL-UHFFFAOYSA-N 0 0 344.386 2.640 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(=O)OCC)cc1 ZINC001623573947 1099603227 /nfs/dbraw/zinc/60/32/27/1099603227.db2.gz IWKWFWHWKNFGRO-UHFFFAOYSA-N 0 0 348.395 2.985 10 10 EFCERN CC(C)(C)Oc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001624154616 1099666095 /nfs/dbraw/zinc/66/60/95/1099666095.db2.gz CTZJFXRXFVYKCC-UHFFFAOYSA-N 0 0 330.384 2.529 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccnc(-c3ccccn3)n2)cc1 ZINC001624479952 1099697024 /nfs/dbraw/zinc/69/70/24/1099697024.db2.gz QOAPVCODLFZSEN-UHFFFAOYSA-N 0 0 347.422 2.877 10 10 EFCERN CCCC[C@@H](O)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001624537322 1099703090 /nfs/dbraw/zinc/70/30/90/1099703090.db2.gz KHHDUERPDYTQFR-LJQANCHMSA-N 0 0 348.487 2.813 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cn(C2CCC2)nn1 ZINC000843764965 1099724099 /nfs/dbraw/zinc/72/40/99/1099724099.db2.gz BUJIBQKFOVRMMW-UHFFFAOYSA-N 0 0 325.416 2.533 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1N1CCCC1=O ZINC001624783897 1099730743 /nfs/dbraw/zinc/73/07/43/1099730743.db2.gz ONAJYSJGEFWIQU-UHFFFAOYSA-N 0 0 340.379 2.714 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(Br)ccc1F ZINC001626834116 1099924025 /nfs/dbraw/zinc/92/40/25/1099924025.db2.gz UKNZKHKHGUAFGA-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(O)cc3O)c12 ZINC001626837815 1099924666 /nfs/dbraw/zinc/92/46/66/1099924666.db2.gz FYYFRAIREUGOCK-UHFFFAOYSA-N 0 0 341.367 2.996 10 10 EFCERN COC[C@@H](C)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001626978416 1099944140 /nfs/dbraw/zinc/94/41/40/1099944140.db2.gz PFMAZDOKWCZRBK-ZDUSSCGKSA-N 0 0 328.412 2.919 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)CCN2C ZINC001627029310 1099948277 /nfs/dbraw/zinc/94/82/77/1099948277.db2.gz YPJJGNBYCUGLRL-UHFFFAOYSA-N 0 0 331.412 2.800 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3cc(F)ccc3N)C2)cc1 ZINC001627163812 1099964387 /nfs/dbraw/zinc/96/43/87/1099964387.db2.gz WYLDAOGLQZDZKE-CYBMUJFWSA-N 0 0 343.402 2.673 10 10 EFCERN CO[C@@H]1COC[C@H]1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001627487802 1100002928 /nfs/dbraw/zinc/00/29/28/1100002928.db2.gz VQIHYXOSZKLPCL-IAGOWNOFSA-N 0 0 348.830 2.891 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC001628139267 1100066717 /nfs/dbraw/zinc/06/67/17/1100066717.db2.gz RTINJRXTVPQPOF-KFWWJZLASA-N 0 0 330.388 2.615 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOC(=O)N(C)C ZINC001628725969 1100127286 /nfs/dbraw/zinc/12/72/86/1100127286.db2.gz XOXCAVLOQRKIPP-UHFFFAOYSA-N 0 0 335.429 2.584 10 10 EFCERN Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001628803847 1100136417 /nfs/dbraw/zinc/13/64/17/1100136417.db2.gz WGPHVJYWJSXHNC-INIZCTEOSA-N 0 0 340.423 2.734 10 10 EFCERN CC[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(=O)OC ZINC001629108382 1100169778 /nfs/dbraw/zinc/16/97/78/1100169778.db2.gz XBFZQCGIFNATRS-LBPRGKRZSA-N 0 0 338.367 2.534 10 10 EFCERN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001629175747 1100176217 /nfs/dbraw/zinc/17/62/17/1100176217.db2.gz RYYNKGUXCJTLPT-UHFFFAOYSA-N 0 0 337.416 2.657 10 10 EFCERN O=C(c1cccc2ncnn21)N(Cc1ccco1)Cc1ccccc1O ZINC001629943530 1100260816 /nfs/dbraw/zinc/26/08/16/1100260816.db2.gz DZFCYWQDKXBXQY-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN CCc1ccccc1-n1cc(C(=O)N(C)Cc2ccccc2O)nn1 ZINC001629955044 1100262654 /nfs/dbraw/zinc/26/26/54/1100262654.db2.gz PAQNNEMJMAAMPY-UHFFFAOYSA-N 0 0 336.395 2.808 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]cc1F ZINC001629971576 1100264428 /nfs/dbraw/zinc/26/44/28/1100264428.db2.gz BTYUDBOUQZQJPI-UHFFFAOYSA-N 0 0 342.168 2.679 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=C[S@@](=O)CCC1 ZINC001630181066 1100282913 /nfs/dbraw/zinc/28/29/13/1100282913.db2.gz SLVBUIZFFMUMEI-PSLXWICFSA-N 0 0 334.485 2.535 10 10 EFCERN CNc1ncccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001630180624 1100282940 /nfs/dbraw/zinc/28/29/40/1100282940.db2.gz OSCSGFJXLXIHMW-AWEZNQCLSA-N 0 0 326.444 2.859 10 10 EFCERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)cc1O ZINC001630301998 1100292276 /nfs/dbraw/zinc/29/22/76/1100292276.db2.gz PBFGAGGZNZJLSP-ZDUSSCGKSA-N 0 0 344.367 2.891 10 10 EFCERN O=C(Cc1coc2c1ccc(F)c2F)NCc1ccc(O)cc1O ZINC001630307419 1100292327 /nfs/dbraw/zinc/29/23/27/1100292327.db2.gz VVBCXPILMXGGBT-UHFFFAOYSA-N 0 0 333.290 2.981 10 10 EFCERN Nc1c(C(=O)NCCc2ccc(O)c(O)c2)ccnc1-c1ccccc1 ZINC001630334759 1100295967 /nfs/dbraw/zinc/29/59/67/1100295967.db2.gz FQBYFTXMLXAFJR-UHFFFAOYSA-N 0 0 349.390 2.715 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1Cl ZINC001630334574 1100296138 /nfs/dbraw/zinc/29/61/38/1100296138.db2.gz BAQPSSNVSKTIPP-UHFFFAOYSA-N 0 0 336.731 2.632 10 10 EFCERN Nc1cc(Br)c(F)cc1C(=O)NCc1ccccc1O ZINC001630363667 1100298734 /nfs/dbraw/zinc/29/87/34/1100298734.db2.gz XACPCQQJAJNNFN-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ncccc2NC(C)=O)cc1 ZINC001630470561 1100309318 /nfs/dbraw/zinc/30/93/18/1100309318.db2.gz YGYQQTDYUGUZHP-UHFFFAOYSA-N 0 0 340.427 2.816 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC001630725711 1100333382 /nfs/dbraw/zinc/33/33/82/1100333382.db2.gz XPFIBLVLSJVSBN-UHFFFAOYSA-N 0 0 330.359 2.581 10 10 EFCERN COc1ccc(C[C@H]2CCN2C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001630861493 1100347330 /nfs/dbraw/zinc/34/73/30/1100347330.db2.gz KBJLFITUUOOTQE-DXWDOBMASA-N 0 0 339.391 2.963 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1 ZINC001630945398 1100355687 /nfs/dbraw/zinc/35/56/87/1100355687.db2.gz GYVANKAOCYMVDR-UHFFFAOYSA-N 0 0 326.288 2.890 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001631151145 1100374991 /nfs/dbraw/zinc/37/49/91/1100374991.db2.gz CCFRIPSUVQUQNU-AWEZNQCLSA-N 0 0 342.370 2.543 10 10 EFCERN Cc1c(C(=O)N(C)Cc2ccccc2O)sc2nc(C)nc(N)c12 ZINC001631151974 1100375034 /nfs/dbraw/zinc/37/50/34/1100375034.db2.gz ZVWSUBJGRLTPTK-UHFFFAOYSA-N 0 0 342.424 2.868 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccccn3)CC2)cc1F ZINC001631377031 1100392738 /nfs/dbraw/zinc/39/27/38/1100392738.db2.gz GFWOQVXAZUUEKY-CQSZACIVSA-N 0 0 343.402 2.682 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C(F)(F)c1cc(F)cc(F)c1 ZINC001631439021 1100398917 /nfs/dbraw/zinc/39/89/17/1100398917.db2.gz SHAHEAGYIAQFIX-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN CN(C)Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC001631439180 1100399468 /nfs/dbraw/zinc/39/94/68/1100399468.db2.gz XNUKJXCGEXPPKH-UHFFFAOYSA-N 0 0 328.412 2.856 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2sccc2-n2ccnn2)c1 ZINC001631543518 1100408527 /nfs/dbraw/zinc/40/85/27/1100408527.db2.gz ULULBTLKDAYYTI-SNVBAGLBSA-N 0 0 344.396 2.534 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631646880 1100415791 /nfs/dbraw/zinc/41/57/91/1100415791.db2.gz JGFLKLNDAUNATM-SUMWQHHRSA-N 0 0 346.387 2.701 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC001631795217 1100428772 /nfs/dbraw/zinc/42/87/72/1100428772.db2.gz USGTUVRCAFLQFM-LBPRGKRZSA-N 0 0 326.360 2.592 10 10 EFCERN CCON(C)C(=O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001632036705 1100448152 /nfs/dbraw/zinc/44/81/52/1100448152.db2.gz MVHUZPSLVIJJBL-UHFFFAOYSA-N 0 0 343.427 2.542 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC001632048386 1100450122 /nfs/dbraw/zinc/45/01/22/1100450122.db2.gz BRMBLYUVOONWHW-HXUWFJFHSA-N 0 0 348.487 2.921 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)cc1 ZINC001632073787 1100451604 /nfs/dbraw/zinc/45/16/04/1100451604.db2.gz DJCIQWPOVASPIQ-UHFFFAOYSA-N 0 0 349.354 2.741 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3conc3C3CC3)CC2)cc1 ZINC001632158074 1100456516 /nfs/dbraw/zinc/45/65/16/1100456516.db2.gz PLWQTGUMJBPTQJ-UHFFFAOYSA-N 0 0 341.411 2.913 10 10 EFCERN Cc1nc(C(=O)NCc2cc(Cl)ccc2O)nn1-c1ccccc1 ZINC001632223487 1100460587 /nfs/dbraw/zinc/46/05/87/1100460587.db2.gz JXVYAMKUMDFXRP-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1O ZINC001632247217 1100463020 /nfs/dbraw/zinc/46/30/20/1100463020.db2.gz VJLIHWOVIFBDRK-CYBMUJFWSA-N 0 0 337.379 2.752 10 10 EFCERN C[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC001632250331 1100463039 /nfs/dbraw/zinc/46/30/39/1100463039.db2.gz QQIQKLPLXSJVLI-LBPRGKRZSA-N 0 0 326.352 2.840 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nccn1C ZINC001632560948 1100483924 /nfs/dbraw/zinc/48/39/24/1100483924.db2.gz LUVXONPECQFQLH-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3cc(=O)cc[nH]3)cc2)CC1 ZINC001633111756 1100523503 /nfs/dbraw/zinc/52/35/03/1100523503.db2.gz ZFQZEZSGKSDDPQ-UHFFFAOYSA-N 0 0 325.412 2.541 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Cc2cccnc2Br)c1 ZINC001633283189 1100534013 /nfs/dbraw/zinc/53/40/13/1100534013.db2.gz XFOIIVUHZMYYBB-UHFFFAOYSA-N 0 0 335.201 2.717 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001633347323 1100538423 /nfs/dbraw/zinc/53/84/23/1100538423.db2.gz SCKJEEYUMUXFOP-UHFFFAOYSA-N 0 0 325.412 2.969 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001633599133 1100553024 /nfs/dbraw/zinc/55/30/24/1100553024.db2.gz PPEQCMBNMXBTRB-UHFFFAOYSA-N 0 0 348.786 2.865 10 10 EFCERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001633595276 1100553071 /nfs/dbraw/zinc/55/30/71/1100553071.db2.gz PNWSPVKZHIUDTM-UHFFFAOYSA-N 0 0 330.340 2.861 10 10 EFCERN COc1cccc([C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)OC)c1 ZINC001633713281 1100559949 /nfs/dbraw/zinc/55/99/49/1100559949.db2.gz LLBPSAKWXVHLFP-YPLUBFQTSA-N 0 0 343.379 2.624 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CO ZINC001633818444 1100567186 /nfs/dbraw/zinc/56/71/86/1100567186.db2.gz IFXWWWFWIZJGCJ-LLVKDONJSA-N 0 0 341.363 2.697 10 10 EFCERN CCSc1c[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001633818033 1100567436 /nfs/dbraw/zinc/56/74/36/1100567436.db2.gz CHKKEAUIJSKEFY-SNVBAGLBSA-N 0 0 348.424 2.671 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1cnccn1 ZINC001634102802 1100584892 /nfs/dbraw/zinc/58/48/92/1100584892.db2.gz FPQJWKYDTQIVKF-UHFFFAOYSA-N 0 0 348.406 2.969 10 10 EFCERN Cc1cc(C(=O)Nc2csc(C(N)=O)c2)c(C)n1-c1ccccn1 ZINC001634420361 1100607248 /nfs/dbraw/zinc/60/72/48/1100607248.db2.gz ZEYCLAMMPJFZMT-UHFFFAOYSA-N 0 0 340.408 2.902 10 10 EFCERN CCn1cnnc1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001635279075 1100653202 /nfs/dbraw/zinc/65/32/02/1100653202.db2.gz VJFLDNHDYNNHDN-UHFFFAOYSA-N 0 0 337.383 2.770 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001635360509 1100656618 /nfs/dbraw/zinc/65/66/18/1100656618.db2.gz NMNIEDWTOIXBEV-UHFFFAOYSA-N 0 0 329.306 2.991 10 10 EFCERN O=C(CCCn1c(=O)oc2ccccc21)NCc1c(O)cccc1F ZINC001635360151 1100656789 /nfs/dbraw/zinc/65/67/89/1100656789.db2.gz BERJBMGDJYOSPB-UHFFFAOYSA-N 0 0 344.342 2.536 10 10 EFCERN Cc1ccn(-c2ccc(C(=O)NCc3c(O)cccc3F)cc2)n1 ZINC001635360656 1100656830 /nfs/dbraw/zinc/65/68/30/1100656830.db2.gz PFASDGUJAJFIPE-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN COCn1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001635647558 1100671821 /nfs/dbraw/zinc/67/18/21/1100671821.db2.gz MPKFTCFRCZQPHN-UHFFFAOYSA-N 0 0 341.367 2.628 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001635687489 1100674484 /nfs/dbraw/zinc/67/44/84/1100674484.db2.gz FSYQGZMJQMSUIV-WLAUZSQPSA-N 0 0 343.354 2.850 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)c1ccccc1O ZINC001635794118 1100679972 /nfs/dbraw/zinc/67/99/72/1100679972.db2.gz WYSOAXIVXBLTTQ-FYRZTWFESA-N 0 0 344.455 2.997 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(OC(F)(F)F)c1 ZINC001635847961 1100683624 /nfs/dbraw/zinc/68/36/24/1100683624.db2.gz XZYOVGCAMAXWCY-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN C/C=C\c1ccc(OCC(=O)NCc2c(O)cccc2O)c(OC)c1 ZINC001635843231 1100683672 /nfs/dbraw/zinc/68/36/72/1100683672.db2.gz IYGIZBZWBFEBPF-HYXAFXHYSA-N 0 0 343.379 2.835 10 10 EFCERN COc1ccc(SC)c(OC)c1C(=O)NCc1c(O)cccc1O ZINC001635847376 1100683694 /nfs/dbraw/zinc/68/36/94/1100683694.db2.gz NBWYYWULCXJTOM-UHFFFAOYSA-N 0 0 349.408 2.767 10 10 EFCERN CC1CCN(c2ccc(C(=O)NCc3c(O)cccc3O)cn2)CC1 ZINC001635846780 1100683759 /nfs/dbraw/zinc/68/37/59/1100683759.db2.gz BATBJQONEISXGE-UHFFFAOYSA-N 0 0 341.411 2.659 10 10 EFCERN C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635964911 1100690360 /nfs/dbraw/zinc/69/03/60/1100690360.db2.gz DXIYNPGFQCHYNN-CYBMUJFWSA-N 0 0 340.423 2.857 10 10 EFCERN O=C(Cc1cc(F)ccc1O)NCc1c(O)ccc2c1CCCC2 ZINC001635964669 1100690489 /nfs/dbraw/zinc/69/04/89/1100690489.db2.gz VUXFNBPZOVDHED-UHFFFAOYSA-N 0 0 329.371 2.975 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1nc(Cl)sc1Cl ZINC001636022259 1100694725 /nfs/dbraw/zinc/69/47/25/1100694725.db2.gz FXXRGPKMDXZIPA-UHFFFAOYSA-N 0 0 333.196 2.834 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001636057552 1100697204 /nfs/dbraw/zinc/69/72/04/1100697204.db2.gz FOALMEVMTIMHKF-UHFFFAOYSA-N 0 0 338.323 2.621 10 10 EFCERN COc1cccc(CNC(=O)c2cc(-c3cccc(O)c3)on2)c1O ZINC001636061503 1100697305 /nfs/dbraw/zinc/69/73/05/1100697305.db2.gz PFIHOXRZTMKDBP-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN COc1cccc(CNC(=O)c2csc(Br)n2)c1O ZINC001636061119 1100697469 /nfs/dbraw/zinc/69/74/69/1100697469.db2.gz GHGQFMTWVMZIOY-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](Cc1ccccc1)OC ZINC001636058440 1100697511 /nfs/dbraw/zinc/69/75/11/1100697511.db2.gz BZFUSEVZSFONLO-MRXNPFEDSA-N 0 0 334.412 2.752 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccc(=O)[nH]n1 ZINC001636159358 1100703884 /nfs/dbraw/zinc/70/38/84/1100703884.db2.gz VYQPEAWJDHWHKA-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1 ZINC001636181920 1100704756 /nfs/dbraw/zinc/70/47/56/1100704756.db2.gz SOQUPUCIOFCYJF-HNNXBMFYSA-N 0 0 332.404 2.910 10 10 EFCERN C[C@H](Sc1ccccc1C(=O)N1Cc2cccc(O)c2C1)C(N)=O ZINC001636231301 1100708129 /nfs/dbraw/zinc/70/81/29/1100708129.db2.gz ZSOCQPQHLTUWOU-NSHDSACASA-N 0 0 342.420 2.514 10 10 EFCERN O=C(c1cc2c(cc1Cl)NC(=O)CO2)N1Cc2cccc(O)c2C1 ZINC001636231284 1100708264 /nfs/dbraw/zinc/70/82/64/1100708264.db2.gz ZASXQLVYBRRKCV-UHFFFAOYSA-N 0 0 344.754 2.533 10 10 EFCERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cc(O)ccc2O)c1 ZINC001637126281 1100758636 /nfs/dbraw/zinc/75/86/36/1100758636.db2.gz REXSEXLTSWGSCQ-ZBFHGGJFSA-N 0 0 343.379 2.535 10 10 EFCERN COc1cc2cc(C(=O)NCc3cc(O)ccc3O)[nH]c2cc1OC ZINC001637126227 1100758760 /nfs/dbraw/zinc/75/87/60/1100758760.db2.gz PBIOMODIMLRBAQ-UHFFFAOYSA-N 0 0 342.351 2.526 10 10 EFCERN CC(=O)Nc1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001637219076 1100765388 /nfs/dbraw/zinc/76/53/88/1100765388.db2.gz SMBZTYDZVIQAMA-UHFFFAOYSA-N 0 0 332.787 2.863 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ncn(-c2ccccc2)n1 ZINC001637226827 1100766185 /nfs/dbraw/zinc/76/61/85/1100766185.db2.gz AYTZAMORQDXHNP-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC001637554905 1100789754 /nfs/dbraw/zinc/78/97/54/1100789754.db2.gz BSPUQPDXPJSMAO-AWEZNQCLSA-N 0 0 331.343 2.810 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 ZINC001638244145 1100843737 /nfs/dbraw/zinc/84/37/37/1100843737.db2.gz UGGAAMQBZKIACA-CYBMUJFWSA-N 0 0 348.309 2.591 10 10 EFCERN CCn1cnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001638272955 1100845318 /nfs/dbraw/zinc/84/53/18/1100845318.db2.gz ITDCCHXWEWDQDF-UHFFFAOYSA-N 0 0 332.367 2.865 10 10 EFCERN CC(C)n1c(=O)[nH]c2ccc(C(=O)NCc3ccc(O)cc3O)cc21 ZINC001638357433 1100851095 /nfs/dbraw/zinc/85/10/95/1100851095.db2.gz RAPLAPDMZJQFFW-UHFFFAOYSA-N 0 0 341.367 2.664 10 10 EFCERN O=C(C[C@@H]1CSc2ccccc2O1)NCc1ccc(O)cc1O ZINC001638356553 1100851121 /nfs/dbraw/zinc/85/11/21/1100851121.db2.gz KRNPHJLCMKYUJT-CYBMUJFWSA-N 0 0 331.393 2.657 10 10 EFCERN C[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1F ZINC001638353004 1100851436 /nfs/dbraw/zinc/85/14/36/1100851436.db2.gz YSIWGWNUNGVBHK-SECBINFHSA-N 0 0 334.303 2.565 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001638356561 1100851489 /nfs/dbraw/zinc/85/14/89/1100851489.db2.gz LENNRGQFGUQVKL-UHFFFAOYSA-N 0 0 336.347 2.587 10 10 EFCERN CCCCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C ZINC001638428599 1100859331 /nfs/dbraw/zinc/85/93/31/1100859331.db2.gz BELGTGCXQZNMRJ-CHWSQXEVSA-N 0 0 325.380 2.951 10 10 EFCERN O=C(NCc1ccnc(C(F)(F)F)c1)c1c(F)ccc(O)c1O ZINC001638703761 1100880019 /nfs/dbraw/zinc/88/00/19/1100880019.db2.gz HORCSIWFYUTEPC-UHFFFAOYSA-N 0 0 330.237 2.581 10 10 EFCERN O=C(CCc1cnn(-c2ccccc2)c1)NCc1c(O)cccc1F ZINC001638858382 1100892035 /nfs/dbraw/zinc/89/20/35/1100892035.db2.gz SGIYLRFCGZJMOS-UHFFFAOYSA-N 0 0 339.370 2.966 10 10 EFCERN Cc1cnn(-c2ccc(C(=O)NCc3c(O)cccc3F)cc2)c1 ZINC001638863652 1100892617 /nfs/dbraw/zinc/89/26/17/1100892617.db2.gz OMLKMAMVUXZIJN-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccn(-c2ccccc2F)n1 ZINC001638858367 1100893172 /nfs/dbraw/zinc/89/31/72/1100893172.db2.gz RQTGERCMWWUNMW-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CSc2ccccc2O1 ZINC001638999204 1100903824 /nfs/dbraw/zinc/90/38/24/1100903824.db2.gz WDYNBGPROVPFHS-CFNZNRNTSA-N 0 0 343.404 2.781 10 10 EFCERN COC[C@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001639027617 1100905621 /nfs/dbraw/zinc/90/56/21/1100905621.db2.gz SZRNIOLRNUSYSU-SFHVURJKSA-N 0 0 342.439 2.890 10 10 EFCERN CC(C)(C)OC(=O)c1cncc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001639236959 1100927970 /nfs/dbraw/zinc/92/79/70/1100927970.db2.gz HITIOHHAWNUNCO-UHFFFAOYSA-N 0 0 344.367 2.629 10 10 EFCERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1c(O)cccc1O ZINC001639288985 1100934070 /nfs/dbraw/zinc/93/40/70/1100934070.db2.gz DZBDXGUKXVRSMK-UHFFFAOYSA-N 0 0 345.443 2.816 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cnn(-c2ccccc2Cl)c1 ZINC001639289382 1100934143 /nfs/dbraw/zinc/93/41/43/1100934143.db2.gz PGGHKWKKFXLTKT-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001639292727 1100934789 /nfs/dbraw/zinc/93/47/89/1100934789.db2.gz OADPNEYUJISZND-ZTFRIQLXSA-N 0 0 329.783 2.953 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001639292726 1100935070 /nfs/dbraw/zinc/93/50/70/1100935070.db2.gz OADPNEYUJISZND-YMRXKLBXSA-N 0 0 329.783 2.953 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncccc1N(C)C ZINC001639341548 1100939517 /nfs/dbraw/zinc/93/95/17/1100939517.db2.gz USTAMJJOXOXEMN-HNNXBMFYSA-N 0 0 340.471 2.883 10 10 EFCERN O=C(Cn1ccc(C(F)F)n1)NCc1c(O)ccc2ccccc21 ZINC001639387669 1100942925 /nfs/dbraw/zinc/94/29/25/1100942925.db2.gz OGEKAQLCTAGTTO-UHFFFAOYSA-N 0 0 331.322 2.996 10 10 EFCERN CCc1n[nH]c(C(=O)NCc2c(O)ccc3ccccc32)c1[N+](=O)[O-] ZINC001639383862 1100943070 /nfs/dbraw/zinc/94/30/70/1100943070.db2.gz BRVULTRRLWLKAW-UHFFFAOYSA-N 0 0 340.339 2.669 10 10 EFCERN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)c(O)c1O ZINC001639398750 1100944444 /nfs/dbraw/zinc/94/44/44/1100944444.db2.gz MQUWFBBXMDAERB-CQSZACIVSA-N 0 0 339.351 2.503 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001639444624 1100949735 /nfs/dbraw/zinc/94/97/35/1100949735.db2.gz SGDOOLNFGXXAHY-CQSZACIVSA-N 0 0 342.178 2.754 10 10 EFCERN COc1ccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(O)c1 ZINC001639458626 1100951743 /nfs/dbraw/zinc/95/17/43/1100951743.db2.gz AGPKAIICGSWDSS-UHFFFAOYSA-N 0 0 330.340 2.856 10 10 EFCERN COc1ccc(CNC(=O)c2cc3c(cccc3OC)[nH]2)c(O)c1 ZINC001639458719 1100952141 /nfs/dbraw/zinc/95/21/41/1100952141.db2.gz DRABDEGGPQEMJK-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c(F)cccc1[N+](=O)[O-] ZINC001639625110 1100967133 /nfs/dbraw/zinc/96/71/33/1100967133.db2.gz XZYCYHWWVYMNHF-UHFFFAOYSA-N 0 0 341.298 2.918 10 10 EFCERN COC(=O)CCCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840272998 1100967404 /nfs/dbraw/zinc/96/74/04/1100967404.db2.gz BNDBVJPOLJXYFW-HNNXBMFYSA-N 0 0 349.475 2.635 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1n[nH]c(=O)c2ccccc21 ZINC001639621357 1100967519 /nfs/dbraw/zinc/96/75/19/1100967519.db2.gz ASGKFNRJJNOVHV-UHFFFAOYSA-N 0 0 346.346 2.519 10 10 EFCERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001639849830 1100988941 /nfs/dbraw/zinc/98/89/41/1100988941.db2.gz KCZRLQVLATXJGF-IWCQGFGOSA-N 0 0 347.455 2.819 10 10 EFCERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001639884440 1100992191 /nfs/dbraw/zinc/99/21/91/1100992191.db2.gz WQNGNUAMBYFHKV-XVNBXDOJSA-N 0 0 329.312 2.700 10 10 EFCERN COC(=O)c1cncnc1N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001640043402 1101008339 /nfs/dbraw/zinc/00/83/39/1101008339.db2.gz QIOOZJSXJSYECP-CYBMUJFWSA-N 0 0 328.416 2.681 10 10 EFCERN CC(=O)NCc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001640401952 1101043806 /nfs/dbraw/zinc/04/38/06/1101043806.db2.gz INQHAMQGKYXXDU-UHFFFAOYSA-N 0 0 332.787 2.612 10 10 EFCERN COC(=O)c1cncc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840384533 1101053684 /nfs/dbraw/zinc/05/36/84/1101053684.db2.gz KLFTXVOLGNPFKJ-ZDUSSCGKSA-N 0 0 328.416 2.681 10 10 EFCERN C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CS1 ZINC000840414831 1101067685 /nfs/dbraw/zinc/06/76/85/1101067685.db2.gz UFUFVKZKYIZOKF-KWQFWETISA-N 0 0 345.262 2.848 10 10 EFCERN CN=[S@](C)(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001640687901 1101071564 /nfs/dbraw/zinc/07/15/64/1101071564.db2.gz ICFIZEGTXJDYBB-HSZRJFAPSA-N 0 0 334.397 2.745 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-n2cccn2)nc1 ZINC001640919883 1101088056 /nfs/dbraw/zinc/08/80/56/1101088056.db2.gz DECKBFIREWCIAH-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001640924599 1101089505 /nfs/dbraw/zinc/08/95/05/1101089505.db2.gz OZURKSWHJVSFLF-UHFFFAOYSA-N 0 0 329.734 2.805 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC001641623218 1101152544 /nfs/dbraw/zinc/15/25/44/1101152544.db2.gz XJRIWZGELHZQTE-DNVCBOLYSA-N 0 0 344.455 2.689 10 10 EFCERN COC(=O)Nc1cc(C(=O)NCc2cc(C)ccc2O)ccc1F ZINC001641733343 1101161120 /nfs/dbraw/zinc/16/11/20/1101161120.db2.gz RWTGXKVGATTYCL-UHFFFAOYSA-N 0 0 332.331 2.948 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001641732915 1101161554 /nfs/dbraw/zinc/16/15/54/1101161554.db2.gz HAVZIHZSJRMUAR-UHFFFAOYSA-N 0 0 325.343 2.955 10 10 EFCERN O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1c(F)ccc(O)c1O ZINC001641795617 1101166253 /nfs/dbraw/zinc/16/62/53/1101166253.db2.gz OACWBHCDKBYLJS-JBCWJZNQSA-N 0 0 333.746 2.958 10 10 EFCERN COc1nsc(CNC(=O)C2=CC(=O)CS2)c1Br ZINC001641944553 1101178534 /nfs/dbraw/zinc/17/85/34/1101178534.db2.gz HZHUVZSZKIINDU-UHFFFAOYSA-N 0 0 349.231 2.611 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Br)cn1 ZINC001648969572 1101185705 /nfs/dbraw/zinc/18/57/05/1101185705.db2.gz YEDBFOSDDNBECM-KXFIGUGUSA-N 0 0 349.184 2.585 10 10 EFCERN COc1nnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC001642062204 1101187755 /nfs/dbraw/zinc/18/77/55/1101187755.db2.gz NKXIGDPMDMQFAU-UHFFFAOYSA-N 0 0 329.385 2.602 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C3CCOCC3)C2)cc1OC ZINC001642461784 1101214762 /nfs/dbraw/zinc/21/47/62/1101214762.db2.gz OPARIMKDHLPAQK-ZDUSSCGKSA-N 0 0 336.388 2.865 10 10 EFCERN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001642488582 1101216531 /nfs/dbraw/zinc/21/65/31/1101216531.db2.gz UUVFYQULFKXHPL-LLVKDONJSA-N 0 0 348.403 2.899 10 10 EFCERN CNC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001642699319 1101233651 /nfs/dbraw/zinc/23/36/51/1101233651.db2.gz DZPCFLQYMFEJDK-LBPRGKRZSA-N 0 0 341.367 2.762 10 10 EFCERN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C1(O)CCCC1 ZINC001642838723 1101247002 /nfs/dbraw/zinc/24/70/02/1101247002.db2.gz IDJNWFONTCSBRW-UHFFFAOYSA-N 0 0 332.404 2.910 10 10 EFCERN O=[N+]([O-])c1cnc(N2Cc3cccc(O)c3C2)c(Br)c1 ZINC001643087613 1101269476 /nfs/dbraw/zinc/26/94/76/1101269476.db2.gz BMGPXKBMBPDHKS-UHFFFAOYSA-N 0 0 336.145 2.978 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2c(F)cccc2F)no1 ZINC001643103927 1101269892 /nfs/dbraw/zinc/26/98/92/1101269892.db2.gz JMYRQSNDKXCUHM-UHFFFAOYSA-N 0 0 346.289 2.961 10 10 EFCERN Cc1nc([C@](C)(NCc2ccc(N3CCOCC3)cc2)C2CC2)no1 ZINC001643212476 1101280234 /nfs/dbraw/zinc/28/02/34/1101280234.db2.gz GNDNJMYCZJXFMO-LJQANCHMSA-N 0 0 342.443 2.630 10 10 EFCERN Oc1cccc(F)c1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC001643209724 1101280431 /nfs/dbraw/zinc/28/04/31/1101280431.db2.gz CZFVAANKXXGPRC-UHFFFAOYSA-N 0 0 327.241 2.600 10 10 EFCERN Cn1cnc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001643282901 1101287076 /nfs/dbraw/zinc/28/70/76/1101287076.db2.gz FGIYGRJLOUWZQV-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2cccnc2n1 ZINC001643284354 1101287358 /nfs/dbraw/zinc/28/73/58/1101287358.db2.gz BEGKMWBRNGTIIO-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN COc1ccc(O)c([C@@H](C)Nc2ccnc(-c3nccs3)n2)c1 ZINC001651498659 1101338280 /nfs/dbraw/zinc/33/82/80/1101338280.db2.gz QNTSWDIMDAFYEE-SNVBAGLBSA-N 0 0 328.397 2.909 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)nn1-c1ccc(C)cc1 ZINC001652625688 1101521465 /nfs/dbraw/zinc/52/14/65/1101521465.db2.gz IUHYYXXMKYCFKJ-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001652625354 1101521609 /nfs/dbraw/zinc/52/16/09/1101521609.db2.gz CHEHOLMSJSRFPB-CQSZACIVSA-N 0 0 342.178 2.754 10 10 EFCERN Cc1nc(-c2c[nH]c(C(=O)NCc3c(O)cccc3O)c2)cs1 ZINC001652622662 1101521680 /nfs/dbraw/zinc/52/16/80/1101521680.db2.gz DKBCGKQIZMWBRB-UHFFFAOYSA-N 0 0 329.381 2.788 10 10 EFCERN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1c(O)cccc1O ZINC001652623316 1101521716 /nfs/dbraw/zinc/52/17/16/1101521716.db2.gz SNNZYQNWZWDZER-UHFFFAOYSA-N 0 0 339.391 2.866 10 10 EFCERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCc3c(O)cccc3O)c2c1 ZINC001652625926 1101522387 /nfs/dbraw/zinc/52/23/87/1101522387.db2.gz OBXHPGDOWSLJQP-UHFFFAOYSA-N 0 0 342.326 2.729 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccn1Cc1cccs1 ZINC001652623340 1101522650 /nfs/dbraw/zinc/52/26/50/1101522650.db2.gz URRVRCVSESDKQT-UHFFFAOYSA-N 0 0 328.393 2.939 10 10 EFCERN COc1cccc(C(=O)NCc2c(O)cccc2O)c1OC(C)C ZINC001652628925 1101523689 /nfs/dbraw/zinc/52/36/89/1101523689.db2.gz PMYKDTPFFZGLRC-UHFFFAOYSA-N 0 0 331.368 2.824 10 10 EFCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1c(O)cccc1O ZINC001652628996 1101524321 /nfs/dbraw/zinc/52/43/21/1101524321.db2.gz SBCPHWSLENUFIM-LLVKDONJSA-N 0 0 335.791 2.653 10 10 EFCERN COc1cccc([C@H](O)C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001652708565 1101532672 /nfs/dbraw/zinc/53/26/72/1101532672.db2.gz ICLLOMVVSXNCHX-IBGZPJMESA-N 0 0 337.375 2.904 10 10 EFCERN CC(C)(C)OC(=O)NCC(=O)NCc1c(O)ccc2ccccc21 ZINC001652706125 1101532838 /nfs/dbraw/zinc/53/28/38/1101532838.db2.gz VKNGPGDKOZXVSU-UHFFFAOYSA-N 0 0 330.384 2.686 10 10 EFCERN CCO[C@H](C(=O)NCc1c(O)ccc2ccccc21)C1CCOCC1 ZINC001652709041 1101532982 /nfs/dbraw/zinc/53/29/82/1101532982.db2.gz SXIGROIUASHUMQ-IBGZPJMESA-N 0 0 343.423 2.993 10 10 EFCERN CCO[C@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708506 1101533396 /nfs/dbraw/zinc/53/33/96/1101533396.db2.gz FFOFHNDHGIMEDA-KXBFYZLASA-N 0 0 343.423 2.993 10 10 EFCERN Cn1cc(-c2nc(C(=O)NCc3cccc(Cl)c3O)cs2)cn1 ZINC001653567313 1101632274 /nfs/dbraw/zinc/63/22/74/1101632274.db2.gz UDBBMYOKELVPPZ-UHFFFAOYSA-N 0 0 348.815 2.833 10 10 EFCERN Cc1cc(C(=O)NCc2cn(C)cn2)c(C)n1-c1ccc(F)cc1 ZINC001653575523 1101633205 /nfs/dbraw/zinc/63/32/05/1101633205.db2.gz FUHIYRPOKXXRQT-UHFFFAOYSA-N 0 0 326.375 2.897 10 10 EFCERN COc1ccc2c(c1)CCCCN2CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC001653810861 1101651113 /nfs/dbraw/zinc/65/11/13/1101651113.db2.gz QJOCPJMNIPGOCX-HNNXBMFYSA-N 0 0 346.471 2.864 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001141985232 1101665964 /nfs/dbraw/zinc/66/59/64/1101665964.db2.gz LJIYUZWWCDBSQA-APWZRJJASA-N 0 0 346.471 2.675 10 10 EFCERN CCOC(=O)c1cnc(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 ZINC001654735091 1101751931 /nfs/dbraw/zinc/75/19/31/1101751931.db2.gz POKPMTDWYAKEBS-UHFFFAOYSA-N 0 0 348.786 2.856 10 10 EFCERN CCN(C)c1ccc(CN2CCCC[C@@]2(COC)C(=O)OC)cc1 ZINC001655172887 1101791963 /nfs/dbraw/zinc/79/19/63/1101791963.db2.gz RGTLTCUDQFWDOC-LJQANCHMSA-N 0 0 334.460 2.687 10 10 EFCERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827981872 1101822813 /nfs/dbraw/zinc/82/28/13/1101822813.db2.gz FQMAMXYWVHTQKZ-UGSOOPFHSA-N 0 0 338.407 2.543 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000588403270 1101898158 /nfs/dbraw/zinc/89/81/58/1101898158.db2.gz DBOXXWRJKFJSKD-WAPJZHGLSA-N 0 0 342.370 2.599 10 10 EFCERN Cc1cc(C(=O)CSc2nnc(N)n2C)c(C)n1-c1ccccc1 ZINC001656097541 1101950720 /nfs/dbraw/zinc/95/07/20/1101950720.db2.gz SAVMVNLRAXTTQG-UHFFFAOYSA-N 0 0 341.440 2.780 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761818 1101960012 /nfs/dbraw/zinc/96/00/12/1101960012.db2.gz YYWJTBBKBRTDNT-CMPLNLGQSA-N 0 0 340.807 2.575 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000588407815 1101982831 /nfs/dbraw/zinc/98/28/31/1101982831.db2.gz YVIJNIOFUQEEDT-ZENLRNHISA-N 0 0 331.393 2.773 10 10 EFCERN COC(=O)c1cc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)ccc1N(C)C ZINC001656826024 1102214637 /nfs/dbraw/zinc/21/46/37/1102214637.db2.gz LAQNUNCVESHCGQ-KXBFYZLASA-N 0 0 349.427 2.646 10 10 EFCERN COC(=O)c1cc(OCc2c(C)nn(C)c2Cl)ccc1N(C)C ZINC001656825214 1102214770 /nfs/dbraw/zinc/21/47/70/1102214770.db2.gz BHHQWRDJVIQNKC-UHFFFAOYSA-N 0 0 337.807 2.814 10 10 EFCERN CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Br)cc1F ZINC001125372081 1102318444 /nfs/dbraw/zinc/31/84/44/1102318444.db2.gz MYNDSGOJXFHAHQ-GQCTYLIASA-N 0 0 338.180 2.998 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cccc(N3CCOC3=O)c2)c1 ZINC001167291023 1102323519 /nfs/dbraw/zinc/32/35/19/1102323519.db2.gz QRLXDDJHSNZVJD-UHFFFAOYSA-N 0 0 326.352 2.587 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cccn(Cc3ccccc3)c2=O)c1 ZINC001167293567 1102340997 /nfs/dbraw/zinc/34/09/97/1102340997.db2.gz JNYKBCPJXBVFDY-UHFFFAOYSA-N 0 0 348.402 2.841 10 10 EFCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000073556286 1102401130 /nfs/dbraw/zinc/40/11/30/1102401130.db2.gz KOBIDUKEPONPBP-GFCCVEGCSA-N 0 0 344.411 2.784 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1c[nH]cc(Cl)c1=O ZINC001648854667 1102519947 /nfs/dbraw/zinc/51/99/47/1102519947.db2.gz DZUGIDZISSPODG-UHFFFAOYSA-N 0 0 345.830 2.949 10 10 EFCERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1O ZINC001648889563 1102550031 /nfs/dbraw/zinc/55/00/31/1102550031.db2.gz BKNPPNGQHCOTRY-SNVBAGLBSA-N 0 0 334.303 2.696 10 10 EFCERN C[C@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccccc1O ZINC001659815968 1102568954 /nfs/dbraw/zinc/56/89/54/1102568954.db2.gz ZYUJCBHJMNSZKF-NSHDSACASA-N 0 0 348.403 2.651 10 10 EFCERN Cn1ncc(Br)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000693500702 1102669241 /nfs/dbraw/zinc/66/92/41/1102669241.db2.gz LAPUATKWHKUBJY-UHFFFAOYSA-N 0 0 330.613 2.831 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc3[nH]cnc3c2F)cc1F ZINC001625951452 1103122384 /nfs/dbraw/zinc/12/23/84/1103122384.db2.gz BJJMGJUOMCHVBC-UHFFFAOYSA-N 0 0 330.338 2.837 10 10 EFCERN COC(=O)c1cnc(SC[C@@H](O)C[C@H](O)c2ccccc2)s1 ZINC000905957103 1103778893 /nfs/dbraw/zinc/77/88/93/1103778893.db2.gz LNRUNFGOZCQHND-RYUDHWBXSA-N 0 0 339.438 2.506 10 10 EFCERN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001662892078 1103889162 /nfs/dbraw/zinc/88/91/62/1103889162.db2.gz SDRNUQRURUOKRC-UHFFFAOYSA-N 0 0 329.356 2.573 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@@](C)(O)C3)c2C)cc1 ZINC000841449548 1103959459 /nfs/dbraw/zinc/95/94/59/1103959459.db2.gz YRKQJFOAWHLROT-DHFPXDALSA-N 0 0 328.412 2.746 10 10 EFCERN CCCC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000897394940 1104041113 /nfs/dbraw/zinc/04/11/13/1104041113.db2.gz BFXLMSBWMCFZEN-SNVBAGLBSA-N 0 0 337.397 2.774 10 10 EFCERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000906260561 1104076549 /nfs/dbraw/zinc/07/65/49/1104076549.db2.gz JOMCRQCLYVIGFF-RRQGHBQHSA-N 0 0 334.485 2.527 10 10 EFCERN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2[nH]c(CO)nc21 ZINC000906309675 1104107354 /nfs/dbraw/zinc/10/73/54/1104107354.db2.gz LSFBNXMWNDDJLP-UHFFFAOYSA-N 0 0 336.395 2.908 10 10 EFCERN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)N(C)C)C(C)C)sc2n1 ZINC000729701851 1104876217 /nfs/dbraw/zinc/87/62/17/1104876217.db2.gz WQNLXOGYVLQEJE-ZDUSSCGKSA-N 0 0 349.456 2.765 10 10 EFCERN CC1(C)CO[C@@H](CC(=O)NCc2cccc(Br)c2O)C1 ZINC000897576460 1105767249 /nfs/dbraw/zinc/76/72/49/1105767249.db2.gz IVUPABSDYPQCAG-NSHDSACASA-N 0 0 342.233 2.976 10 10 EFCERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001672327547 1105802078 /nfs/dbraw/zinc/80/20/78/1105802078.db2.gz SXZBSVYPSCPOOX-UHFFFAOYSA-N 0 0 349.774 2.996 10 10 EFCERN CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC001672992002 1105955307 /nfs/dbraw/zinc/95/53/07/1105955307.db2.gz XILUSAXRGSXSDK-NSHDSACASA-N 0 0 328.372 2.653 10 10 EFCERN Cc1nccnc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126783643 1106013075 /nfs/dbraw/zinc/01/30/75/1106013075.db2.gz LSWGSIZHJAQMCG-UHFFFAOYSA-N 0 0 330.351 2.747 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000841955676 1106041979 /nfs/dbraw/zinc/04/19/79/1106041979.db2.gz JSRYRMPZJLNRNT-KSZLIROESA-N 0 0 331.460 2.536 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000841955678 1106042242 /nfs/dbraw/zinc/04/22/42/1106042242.db2.gz JSRYRMPZJLNRNT-KZNAEPCWSA-N 0 0 331.460 2.536 10 10 EFCERN CCCN(CCc1ccccn1)C(=O)NCCc1ccc(N)cc1 ZINC000841956773 1106042824 /nfs/dbraw/zinc/04/28/24/1106042824.db2.gz HNBZRWPFZOTAGU-UHFFFAOYSA-N 0 0 326.444 2.871 10 10 EFCERN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897902057 1106140046 /nfs/dbraw/zinc/14/00/46/1106140046.db2.gz ITSLHYLGPMQPOW-SJKOYZFVSA-N 0 0 347.436 2.839 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000897934144 1106142765 /nfs/dbraw/zinc/14/27/65/1106142765.db2.gz FNIWTIITSYOSKB-LFDJNIOPSA-N 0 0 343.471 2.850 10 10 EFCERN CCc1nc2ccccc2n1CCC(=O)NCc1ccc(O)cc1O ZINC001142532971 1106238584 /nfs/dbraw/zinc/23/85/84/1106238584.db2.gz AXLTVIOWGWTZGD-UHFFFAOYSA-N 0 0 339.395 2.716 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)nn1-c1ccc(F)cc1 ZINC001142533205 1106238693 /nfs/dbraw/zinc/23/86/93/1106238693.db2.gz GUPDLSINLHBENM-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc2cc(O)c(O)cc2s1 ZINC001142533879 1106239107 /nfs/dbraw/zinc/23/91/07/1106239107.db2.gz UWNBLKVGPRDSDM-UHFFFAOYSA-N 0 0 331.349 2.654 10 10 EFCERN CCn1cc(Br)cc1C(=O)NCc1ccc(O)cc1O ZINC001142533796 1106239150 /nfs/dbraw/zinc/23/91/50/1106239150.db2.gz QYFMSKANFHFLHX-UHFFFAOYSA-N 0 0 339.189 2.612 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)n2cnc(C)c2)cc1 ZINC000898275499 1106300949 /nfs/dbraw/zinc/30/09/49/1106300949.db2.gz VJDDRLPRTZKKBP-UHFFFAOYSA-N 0 0 344.459 2.530 10 10 EFCERN Cc1cc(CNC(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001675115394 1106302759 /nfs/dbraw/zinc/30/27/59/1106302759.db2.gz MUHWKOALZYWFHU-SAABIXHNSA-N 0 0 327.428 2.725 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](C)C3)CC2)c(OC)c1 ZINC001676077818 1106481615 /nfs/dbraw/zinc/48/16/15/1106481615.db2.gz HTKMYXSLZRMVHT-GJZGRUSLSA-N 0 0 347.459 2.724 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2c[nH]c(=O)c3ccccc23)c1 ZINC001676170969 1106494928 /nfs/dbraw/zinc/49/49/28/1106494928.db2.gz BYWOPKBMTBJEQC-UHFFFAOYSA-N 0 0 337.379 2.954 10 10 EFCERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001679448678 1107576311 /nfs/dbraw/zinc/57/63/11/1107576311.db2.gz WXCVTRVCHMYUGF-OWYVNGRQSA-N 0 0 326.824 2.904 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N(O)Cc3ccccc3)C2)cc1 ZINC000904198076 1107710669 /nfs/dbraw/zinc/71/06/69/1107710669.db2.gz RYKCSGKNWSQLAA-MRXNPFEDSA-N 0 0 341.411 2.875 10 10 EFCERN Cn1cc([C@@H](NC(=O)N2Cc3cccc(O)c3C2)c2ccccc2)cn1 ZINC001680037123 1107778721 /nfs/dbraw/zinc/77/87/21/1107778721.db2.gz XXOLNJMPHQVMIG-IBGZPJMESA-N 0 0 348.406 2.941 10 10 EFCERN CCO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)CN(C)C ZINC000926958598 1108269174 /nfs/dbraw/zinc/26/91/74/1108269174.db2.gz GYVMDHIENLCPAQ-YPMHNXCESA-N 0 0 345.281 2.772 10 10 EFCERN CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001681527198 1108318361 /nfs/dbraw/zinc/31/83/61/1108318361.db2.gz QLGSQDBLDXWJOO-NWDGAFQWSA-N 0 0 347.419 2.662 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001681851737 1108452637 /nfs/dbraw/zinc/45/26/37/1108452637.db2.gz JTWUJQBJSHDLLZ-WBVHZDCISA-N 0 0 331.460 2.853 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC001272505833 1108577925 /nfs/dbraw/zinc/57/79/25/1108577925.db2.gz FQMJHCYVSRGVPQ-UHFFFAOYSA-N 0 0 339.355 2.988 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)c2C1 ZINC000843538708 1108782038 /nfs/dbraw/zinc/78/20/38/1108782038.db2.gz JNHDWGLEELCHRY-AWEZNQCLSA-N 0 0 338.455 2.778 10 10 EFCERN CCN1[C@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000898383641 1108908342 /nfs/dbraw/zinc/90/83/42/1108908342.db2.gz ACKPPBDLJSBXRU-PHIMTYICSA-N 0 0 334.441 2.867 10 10 EFCERN COC(=O)C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898785718 1109084135 /nfs/dbraw/zinc/08/41/35/1109084135.db2.gz CISCYYQNZILDBY-LLVKDONJSA-N 0 0 349.408 2.632 10 10 EFCERN CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898793325 1109085287 /nfs/dbraw/zinc/08/52/87/1109085287.db2.gz GFVCAGXRKQFWMA-NSHDSACASA-N 0 0 349.408 2.870 10 10 EFCERN CCOC(=O)C1=CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899136654 1109221597 /nfs/dbraw/zinc/22/15/97/1109221597.db2.gz QXTVJWZYUNISKG-LLVKDONJSA-N 0 0 347.392 2.694 10 10 EFCERN O=C(NCC[C@@H](O)C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899189342 1109242013 /nfs/dbraw/zinc/24/20/13/1109242013.db2.gz YDBISOZYFOGBMO-GFCCVEGCSA-N 0 0 335.425 2.984 10 10 EFCERN CCOC(=O)[C@@H](C)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899201789 1109244765 /nfs/dbraw/zinc/24/47/65/1109244765.db2.gz QWRYZWDJABKGNW-VIFPVBQESA-N 0 0 349.408 2.584 10 10 EFCERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827972997 1109549448 /nfs/dbraw/zinc/54/94/48/1109549448.db2.gz FWCZGFWHKJXHFG-HNNXBMFYSA-N 0 0 340.423 2.661 10 10 EFCERN CC(C)(C)CC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000914568826 1111262488 /nfs/dbraw/zinc/26/24/88/1111262488.db2.gz FDAHKNWXNSKJLQ-UHFFFAOYSA-N 0 0 330.472 2.961 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2nc(-c3ccoc3)no2)cc1 ZINC000183813898 1118782181 /nfs/dbraw/zinc/78/21/81/1118782181.db2.gz UHBZPCYJZGOFKE-UHFFFAOYSA-N 0 0 343.339 2.518 10 10 EFCERN CCOc1cn(-c2ccc(N)cc2)nc1C(=O)NCc1ccccc1 ZINC000097673636 219045984 /nfs/dbraw/zinc/04/59/84/219045984.db2.gz LOLFVJLFPCYWPB-UHFFFAOYSA-N 0 0 336.395 2.783 10 10 EFCERN CC(=O)NCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000058282214 214528298 /nfs/dbraw/zinc/52/82/98/214528298.db2.gz YXHISMSIJYZUSJ-UHFFFAOYSA-N 0 0 331.460 2.598 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2c2nccs2)cc1 ZINC000110611857 529780055 /nfs/dbraw/zinc/78/00/55/529780055.db2.gz ILAVPMUIHIYAQV-INIZCTEOSA-N 0 0 344.484 2.837 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1F ZINC000171360677 529781242 /nfs/dbraw/zinc/78/12/42/529781242.db2.gz OPPYFWGVYAFJSH-INIZCTEOSA-N 0 0 345.422 2.672 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000175617337 529781446 /nfs/dbraw/zinc/78/14/46/529781446.db2.gz LMUYFVTWYLGLKE-OAHLLOKOSA-N 0 0 347.459 2.626 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccccc1O ZINC000173189305 529786015 /nfs/dbraw/zinc/78/60/15/529786015.db2.gz IONCYZLOACWRCO-UHFFFAOYSA-N 0 0 326.396 2.816 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2Cc3cc(F)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008699753 282289488 /nfs/dbraw/zinc/28/94/88/282289488.db2.gz AVDXGLUNHOSIPR-GOSISDBHSA-N 0 0 328.387 2.903 10 10 EFCERN COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(OC)c3O)O2)cc1 ZINC000064567312 214793091 /nfs/dbraw/zinc/79/30/91/214793091.db2.gz ZDIBELJEQHHDDM-SFHVURJKSA-N 0 0 342.351 2.649 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCCc3ccccc3O)ccc21 ZINC000171669416 530065638 /nfs/dbraw/zinc/06/56/38/530065638.db2.gz WCSGDBHBAMPZJX-UHFFFAOYSA-N 0 0 339.439 2.817 10 10 EFCERN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]C(C)(C)C ZINC000101833965 219166184 /nfs/dbraw/zinc/16/61/84/219166184.db2.gz FRTAKQNMPOADCL-LFIBNONCSA-N 0 0 347.390 2.754 10 10 EFCERN CSc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 ZINC000033337732 212928260 /nfs/dbraw/zinc/92/82/60/212928260.db2.gz APYFLOZDMNWRAC-SDNWHVSQSA-N 0 0 333.482 2.626 10 10 EFCERN COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006098156 291234402 /nfs/dbraw/zinc/23/44/02/291234402.db2.gz LTAWYSYWKNOPCK-XAPLUZPNSA-N 0 0 325.386 2.588 10 10 EFCERN CN(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000162605071 239094118 /nfs/dbraw/zinc/09/41/18/239094118.db2.gz XZRMNGRIEQFHFQ-UHFFFAOYSA-N 0 0 331.243 2.999 10 10 EFCERN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000171234685 239140008 /nfs/dbraw/zinc/14/00/08/239140008.db2.gz WMZAKKSPAHTMMY-OAHLLOKOSA-N 0 0 329.444 2.963 10 10 EFCERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000175148633 239257615 /nfs/dbraw/zinc/25/76/15/239257615.db2.gz MKTSYGQIAXPQCT-GOSISDBHSA-N 0 0 341.459 2.632 10 10 EFCERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000176122623 239303087 /nfs/dbraw/zinc/30/30/87/239303087.db2.gz AQIZOKHYKISRBC-UHFFFAOYSA-N 0 0 327.428 2.705 10 10 EFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccccc1C ZINC000177431504 239373180 /nfs/dbraw/zinc/37/31/80/239373180.db2.gz ZNEOCDULLPQMNT-HNNXBMFYSA-N 0 0 333.453 2.672 10 10 EFCERN CC(=O)N1CCN(c2ccc(OC[C@@H](O)C3CCCCC3)cc2)CC1 ZINC000191362476 239984846 /nfs/dbraw/zinc/98/48/46/239984846.db2.gz RAUWCTGPARBZCB-HXUWFJFHSA-N 0 0 346.471 2.675 10 10 EFCERN CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926238 240188498 /nfs/dbraw/zinc/18/84/98/240188498.db2.gz NXHVFTYJBYOLDI-ZDUSSCGKSA-N 0 0 346.431 2.620 10 10 EFCERN Cc1cc(Cl)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1O ZINC000195200336 240208299 /nfs/dbraw/zinc/20/82/99/240208299.db2.gz KIXXCBBGNJQOSE-UHFFFAOYSA-N 0 0 331.865 2.753 10 10 EFCERN CSc1ccc(N2C[C@H](C(=O)Nc3ccc(N)cc3)CC2=O)cc1 ZINC000237403144 240242873 /nfs/dbraw/zinc/24/28/73/240242873.db2.gz AILSYXANLBFUIQ-GFCCVEGCSA-N 0 0 341.436 2.982 10 10 EFCERN O=C(Cn1ncc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000264442132 240423179 /nfs/dbraw/zinc/42/31/79/240423179.db2.gz MZMXGBKXXXKDTO-UHFFFAOYSA-N 0 0 334.423 2.953 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000268256595 240550394 /nfs/dbraw/zinc/55/03/94/240550394.db2.gz JBKCAKYPBMNASL-UXBLZVDNSA-N 0 0 348.399 2.768 10 10 EFCERN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000268425753 240553580 /nfs/dbraw/zinc/55/35/80/240553580.db2.gz AFHAVWAWXZTVBF-UHFFFAOYSA-N 0 0 328.372 2.633 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272899741 240682756 /nfs/dbraw/zinc/68/27/56/240682756.db2.gz LPBDWLCOQFANJZ-FNORWQNLSA-N 0 0 348.399 2.770 10 10 EFCERN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273534556 240703807 /nfs/dbraw/zinc/70/38/07/240703807.db2.gz XBMKKMDHVXFURA-LLVKDONJSA-N 0 0 349.412 2.833 10 10 EFCERN COCCC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000292269703 241029195 /nfs/dbraw/zinc/02/91/95/241029195.db2.gz GNQLXQGVUQQUJI-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000296068253 241073212 /nfs/dbraw/zinc/07/32/12/241073212.db2.gz VBTYJIRYRHGWDR-CYBMUJFWSA-N 0 0 332.416 2.607 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccnn2CC(F)(F)F)cc1 ZINC000294457012 241048435 /nfs/dbraw/zinc/04/84/35/241048435.db2.gz PJAXPCBXJCOEES-UHFFFAOYSA-N 0 0 340.349 2.784 10 10 EFCERN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295444501 241052647 /nfs/dbraw/zinc/05/26/47/241052647.db2.gz USNDBEANOFHIRH-GFCCVEGCSA-N 0 0 340.826 2.923 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000295778605 241062520 /nfs/dbraw/zinc/06/25/20/241062520.db2.gz QOCBUSIWRBTZOZ-VIFPVBQESA-N 0 0 340.301 2.873 10 10 EFCERN Cc1cc(C(=O)N2CCN(CC(F)F)CC2)c(C)n1-c1ccccn1 ZINC000299422236 241175340 /nfs/dbraw/zinc/17/53/40/241175340.db2.gz HATGJFVJUHDAGL-UHFFFAOYSA-N 0 0 348.397 2.512 10 10 EFCERN COc1ccc(OC)c([C@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000299520230 241180127 /nfs/dbraw/zinc/18/01/27/241180127.db2.gz QDDZHDSQRJJICA-LBPRGKRZSA-N 0 0 330.384 2.970 10 10 EFCERN CO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccc(O)cc1 ZINC000361493771 242225723 /nfs/dbraw/zinc/22/57/23/242225723.db2.gz CIBSDDDFFNRWEC-GOSISDBHSA-N 0 0 342.395 2.571 10 10 EFCERN COc1ccc(O)c(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000363539463 242277403 /nfs/dbraw/zinc/27/74/03/242277403.db2.gz KTFVBYTUBXQILH-INIZCTEOSA-N 0 0 333.771 2.674 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000363886996 242285800 /nfs/dbraw/zinc/28/58/00/242285800.db2.gz ZDUATVSOLVBURQ-MRXNPFEDSA-N 0 0 340.358 2.731 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230213379 242252127 /nfs/dbraw/zinc/25/21/27/242252127.db2.gz CJTPZBBMOCBMGT-KYZJMWGYSA-N 0 0 346.383 2.929 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@H](C(N)=O)c3ccccc32)c1O ZINC000366988465 242370429 /nfs/dbraw/zinc/37/04/29/242370429.db2.gz SLBUQBLDNJLHGD-HNNXBMFYSA-N 0 0 342.370 2.713 10 10 EFCERN COCC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000365799804 242334276 /nfs/dbraw/zinc/33/42/76/242334276.db2.gz XPHRACKYXATKLA-ZDUSSCGKSA-N 0 0 338.404 2.948 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CCOCC3)cc1F ZINC000366235983 242347706 /nfs/dbraw/zinc/34/77/06/242347706.db2.gz HMZNONDXMOQOPG-UHFFFAOYSA-N 0 0 349.450 2.994 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862529 242310087 /nfs/dbraw/zinc/31/00/87/242310087.db2.gz QWHCCWODZPPZQO-QWRGUYRKSA-N 0 0 345.798 2.727 10 10 EFCERN COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000021024162 212200898 /nfs/dbraw/zinc/20/08/98/212200898.db2.gz QQIXMZGMXZRVDC-UHFFFAOYSA-N 0 0 343.770 2.829 10 10 EFCERN Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000019487523 212032478 /nfs/dbraw/zinc/03/24/78/212032478.db2.gz HSASSVAGHIQYTQ-UHFFFAOYSA-N 0 0 327.203 2.832 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]34CCOC4)ccc21 ZINC000422091915 246258503 /nfs/dbraw/zinc/25/85/03/246258503.db2.gz PVIXZPUSCTZAQH-HXUWFJFHSA-N 0 0 342.439 2.910 10 10 EFCERN CCOC(=O)c1ccc(-n2cnc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012523899 211397710 /nfs/dbraw/zinc/39/77/10/211397710.db2.gz LTQMZKPQRQZWPI-UHFFFAOYSA-N 0 0 346.342 2.824 10 10 EFCERN C[C@@H]1SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O ZINC000011636098 211227888 /nfs/dbraw/zinc/22/78/88/211227888.db2.gz GBOCDIBJQQXBNO-VIFPVBQESA-N 0 0 326.418 2.793 10 10 EFCERN CN(C)c1ccc(CNC(=O)C2CCN(c3nccs3)CC2)cc1 ZINC000008780453 211005908 /nfs/dbraw/zinc/00/59/08/211005908.db2.gz XGBKPKQJCFQMPO-UHFFFAOYSA-N 0 0 344.484 2.742 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(O)c1O ZINC000095456919 218399719 /nfs/dbraw/zinc/39/97/19/218399719.db2.gz GXWQQSRIOZRXMR-GFCCVEGCSA-N 0 0 331.372 2.890 10 10 EFCERN O=C1/C(=C\c2ccc(N3CCOCC3)cc2)N=C2CCCCCN12 ZINC000003212039 296312815 /nfs/dbraw/zinc/31/28/15/296312815.db2.gz YWKUFAQVUYHJHO-SAPNQHFASA-N 0 0 325.412 2.679 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000167539718 533125237 /nfs/dbraw/zinc/12/52/37/533125237.db2.gz CIFIYZPPIMSKMG-UFZAZABTSA-N 0 0 346.383 2.786 10 10 EFCERN Cn1c(-c2ccccc2)cnc1SCn1nnc2ccccc2c1=O ZINC000007129001 258052626 /nfs/dbraw/zinc/05/26/26/258052626.db2.gz FROBTFOQBJCODC-UHFFFAOYSA-N 0 0 349.419 2.942 10 10 EFCERN COC(=O)C1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000179484634 533276588 /nfs/dbraw/zinc/27/65/88/533276588.db2.gz UXNKWQMVLWLHIR-UHFFFAOYSA-N 0 0 344.455 2.665 10 10 EFCERN COc1ccc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000036394743 132391773 /nfs/dbraw/zinc/39/17/73/132391773.db2.gz DQDDQQCASZOENI-UHFFFAOYSA-N 0 0 330.432 2.698 10 10 EFCERN CCOc1cccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000092040289 544540069 /nfs/dbraw/zinc/54/00/69/544540069.db2.gz MNTYKGQFUHMOSV-CVEARBPZSA-N 0 0 347.411 2.708 10 10 EFCERN C[C@@H]1CN(C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CCCO1 ZINC000175340079 278690096 /nfs/dbraw/zinc/69/00/96/278690096.db2.gz NKAFPZIVRILPPZ-CYBMUJFWSA-N 0 0 349.386 2.713 10 10 EFCERN Cc1c(/C=C/C(=O)N2CC3(CCOCC3)c3ccccc32)cnn1C ZINC000189789851 280196605 /nfs/dbraw/zinc/19/66/05/280196605.db2.gz VDFJOOCFDRTUQM-BQYQJAHWSA-N 0 0 337.423 2.837 10 10 EFCERN CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 ZINC000301698532 280433783 /nfs/dbraw/zinc/43/37/83/280433783.db2.gz REXXEEDPOSFORN-CQSZACIVSA-N 0 0 337.401 2.504 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000081479175 473206152 /nfs/dbraw/zinc/20/61/52/473206152.db2.gz IBOAKRNFQJAVCD-SJLPKXTDSA-N 0 0 331.460 2.637 10 10 EFCERN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000095940825 473225901 /nfs/dbraw/zinc/22/59/01/473225901.db2.gz SVCYASXJMBMBJR-XTZNXHDOSA-N 0 0 334.279 2.662 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NCC3(C)COC3)cc2)CC1 ZINC000112720219 473302112 /nfs/dbraw/zinc/30/21/12/473302112.db2.gz JSBQOCBQYQGGEW-UHFFFAOYSA-N 0 0 331.460 2.759 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cc(-c2cnn(C)c2)no1 ZINC000185044554 473309133 /nfs/dbraw/zinc/30/91/33/473309133.db2.gz PZMNYOMBPMPZQV-UHFFFAOYSA-N 0 0 339.399 2.540 10 10 EFCERN CN(Cc1ccccn1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096404907 473381922 /nfs/dbraw/zinc/38/19/22/473381922.db2.gz DRQVGQHTFNTOEY-YFHOEESVSA-N 0 0 337.423 2.590 10 10 EFCERN O=C1/C(=C/N2CCOCC2)SC(=S)N1c1ccccc1Cl ZINC000034107121 471989318 /nfs/dbraw/zinc/98/93/18/471989318.db2.gz IGXONTBIBOYCQZ-XFXZXTDPSA-N 0 0 340.857 2.878 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4sccc4C3)cc2N1 ZINC000084618312 472200221 /nfs/dbraw/zinc/20/02/21/472200221.db2.gz KGBHWVOOSKTNHF-UHFFFAOYSA-N 0 0 331.353 2.550 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(-n2cncn2)c1 ZINC000076089116 472267438 /nfs/dbraw/zinc/26/74/38/472267438.db2.gz RZTYIQVFGGIJJJ-UHFFFAOYSA-N 0 0 348.406 2.782 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCC(=O)OC ZINC000069245358 472310418 /nfs/dbraw/zinc/31/04/18/472310418.db2.gz UMMGRERUPZNQGR-UHFFFAOYSA-N 0 0 335.448 2.627 10 10 EFCERN Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000128413561 472446750 /nfs/dbraw/zinc/44/67/50/472446750.db2.gz LWGQZQIFMOGFPN-SNVBAGLBSA-N 0 0 336.779 2.677 10 10 EFCERN Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)n1-c1ccccn1 ZINC000069921922 472466679 /nfs/dbraw/zinc/46/66/79/472466679.db2.gz RQEUOAMISGGAQD-QGZVFWFLSA-N 0 0 349.438 2.990 10 10 EFCERN CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000032906305 472479049 /nfs/dbraw/zinc/47/90/49/472479049.db2.gz DGGAYWZPWUBTSL-UHFFFAOYSA-N 0 0 343.402 2.538 10 10 EFCERN CCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000032906364 472479771 /nfs/dbraw/zinc/47/97/71/472479771.db2.gz PWZJBKIVSCBJLG-CYBMUJFWSA-N 0 0 345.418 2.878 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCn2cc(C)cn2)cc1F ZINC000118074001 472487462 /nfs/dbraw/zinc/48/74/62/472487462.db2.gz CEGIIUWWGBOHEJ-UHFFFAOYSA-N 0 0 347.438 2.676 10 10 EFCERN C[C@@H]1CSc2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000616827343 479990955 /nfs/dbraw/zinc/99/09/55/479990955.db2.gz CNVJMCOIHMAWNS-NSHDSACASA-N 0 0 339.420 2.965 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000071834957 472578158 /nfs/dbraw/zinc/57/81/58/472578158.db2.gz KVABGWBKXJQSIB-IRXDYDNUSA-N 0 0 326.396 2.741 10 10 EFCERN CCCOc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c(O)c1 ZINC000119832088 472587069 /nfs/dbraw/zinc/58/70/69/472587069.db2.gz ZNKSACDJZDDBOJ-SFHVURJKSA-N 0 0 340.423 2.593 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000077734210 472598036 /nfs/dbraw/zinc/59/80/36/472598036.db2.gz LAERNJIZEVUMBE-HNNXBMFYSA-N 0 0 347.459 2.626 10 10 EFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000090223271 472610229 /nfs/dbraw/zinc/61/02/29/472610229.db2.gz SECBMYOVMLGNES-KDOFPFPSSA-N 0 0 341.459 2.609 10 10 EFCERN Cc1ccc(C(=O)Nc2ccc(O)c(CN3CCOCC3)c2)cc1F ZINC000071916749 472620511 /nfs/dbraw/zinc/62/05/11/472620511.db2.gz CURYGFYGMRQZKS-UHFFFAOYSA-N 0 0 344.386 2.924 10 10 EFCERN Oc1ccc(Nc2ncnc3ccsc32)cc1CN1CCOCC1 ZINC000071920558 472621377 /nfs/dbraw/zinc/62/13/77/472621377.db2.gz PQRUZSRUTIUIKZ-UHFFFAOYSA-N 0 0 342.424 2.973 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccnn1C ZINC000046942114 472625603 /nfs/dbraw/zinc/62/56/03/472625603.db2.gz UXDXJVDZDUGSHW-UHFFFAOYSA-N 0 0 341.459 2.752 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000131157951 472652121 /nfs/dbraw/zinc/65/21/21/472652121.db2.gz YTLFGCURLFTWIA-ZDUSSCGKSA-N 0 0 331.441 2.506 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000131157725 472652429 /nfs/dbraw/zinc/65/24/29/472652429.db2.gz YTLFGCURLFTWIA-CYBMUJFWSA-N 0 0 331.441 2.506 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000072313360 472661471 /nfs/dbraw/zinc/66/14/71/472661471.db2.gz KGEDZNYVXPFGFM-UHFFFAOYSA-N 0 0 327.340 2.501 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000120455103 472692122 /nfs/dbraw/zinc/69/21/22/472692122.db2.gz OUOLJKPUNQIUNJ-UHFFFAOYSA-N 0 0 347.484 2.874 10 10 EFCERN Cc1cc(C(=O)COc2cccc(C(N)=O)c2)c(C)n1-c1ccccn1 ZINC000048265199 472844440 /nfs/dbraw/zinc/84/44/40/472844440.db2.gz CLKFMJMHHJVHOI-UHFFFAOYSA-N 0 0 349.390 2.850 10 10 EFCERN Oc1cc2c(cc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)OCO2 ZINC000092094976 472856188 /nfs/dbraw/zinc/85/61/88/472856188.db2.gz HZXIODMJUHXJFI-SWLSCSKDSA-N 0 0 349.333 2.707 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000122398180 473010864 /nfs/dbraw/zinc/01/08/64/473010864.db2.gz CUBJXXOVCIFVHH-OLZOCXBDSA-N 0 0 333.334 2.838 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000122398395 473011290 /nfs/dbraw/zinc/01/12/90/473011290.db2.gz CUBJXXOVCIFVHH-QWHCGFSZSA-N 0 0 333.334 2.838 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000122499320 473022594 /nfs/dbraw/zinc/02/25/94/473022594.db2.gz AAEIONUCGMVPPX-HXUWFJFHSA-N 0 0 342.487 2.939 10 10 EFCERN COc1ccc(N2CCN(C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051092606 473024619 /nfs/dbraw/zinc/02/46/19/473024619.db2.gz AZDKRWMKQJDSKO-IBGZPJMESA-N 0 0 348.393 2.829 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NCc3ccnn3C)cc2)CC1 ZINC000108444402 473026107 /nfs/dbraw/zinc/02/61/07/473026107.db2.gz WDLXKCDIBYYXDX-UHFFFAOYSA-N 0 0 341.459 2.656 10 10 EFCERN CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1O ZINC000109769432 473119315 /nfs/dbraw/zinc/11/93/15/473119315.db2.gz GBSKMBSBJYLEPX-UHFFFAOYSA-N 0 0 328.416 2.774 10 10 EFCERN C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000093644115 473127133 /nfs/dbraw/zinc/12/71/33/473127133.db2.gz AWPAHHQMUUPKNL-ZWNOBZJWSA-N 0 0 327.812 2.868 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1[C@@H]2CCCC[C@H]12 ZINC000081266322 473172592 /nfs/dbraw/zinc/17/25/92/473172592.db2.gz VYOQQVXMBSLVPR-MVVMVCHASA-N 0 0 332.419 2.715 10 10 EFCERN COC(=O)CN(CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000111238311 473197798 /nfs/dbraw/zinc/19/77/98/473197798.db2.gz MIBLJEJWEVVBJI-UHFFFAOYSA-N 0 0 334.803 2.658 10 10 EFCERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185494932 473442745 /nfs/dbraw/zinc/44/27/45/473442745.db2.gz IARCYPSIQYJXKQ-GOSISDBHSA-N 0 0 331.460 2.611 10 10 EFCERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1O ZINC000185774577 473510860 /nfs/dbraw/zinc/51/08/60/473510860.db2.gz FMQQPRCKYINYNV-GXFFZTMASA-N 0 0 336.823 2.969 10 10 EFCERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1O ZINC000185774636 473511052 /nfs/dbraw/zinc/51/10/52/473511052.db2.gz FMQQPRCKYINYNV-MFKMUULPSA-N 0 0 336.823 2.969 10 10 EFCERN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185994499 473566908 /nfs/dbraw/zinc/56/69/08/473566908.db2.gz YMOHREVMVNYYDB-IUCAKERBSA-N 0 0 327.215 2.956 10 10 EFCERN Nc1ccc(CC(=O)N2CCC(Sc3ccccn3)CC2)cc1 ZINC000170678028 473583497 /nfs/dbraw/zinc/58/34/97/473583497.db2.gz BXHYEZQPFZIYDW-UHFFFAOYSA-N 0 0 327.453 2.990 10 10 EFCERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 ZINC000170677920 473583659 /nfs/dbraw/zinc/58/36/59/473583659.db2.gz IDTSFPWVORQKTH-OAHLLOKOSA-N 0 0 340.423 2.845 10 10 EFCERN COc1ccc2c(c1)CCN2Cc1ccccc1OCC(=O)N(C)C ZINC000127705574 473643034 /nfs/dbraw/zinc/64/30/34/473643034.db2.gz LKOHDDAHQNNWEM-UHFFFAOYSA-N 0 0 340.423 2.725 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153890765 473648468 /nfs/dbraw/zinc/64/84/68/473648468.db2.gz UMORKALCMCOAFU-HNNXBMFYSA-N 0 0 345.443 2.594 10 10 EFCERN Cc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000179602509 473697914 /nfs/dbraw/zinc/69/79/14/473697914.db2.gz BUIKTOQANBIFEB-INIZCTEOSA-N 0 0 330.815 2.766 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(CN2CCC[N@@H+](C3CC3)CC2)c1[O-] ZINC000179729508 473713017 /nfs/dbraw/zinc/71/30/17/473713017.db2.gz NBWVSKOVZHYWMT-UHFFFAOYSA-N 0 0 325.796 2.624 10 10 EFCERN COc1cccc([C@@H]2CN(Cc3cc(OC)ccc3O)CCO2)c1 ZINC000180047781 473784888 /nfs/dbraw/zinc/78/48/88/473784888.db2.gz BATRWRKINQHEOA-IBGZPJMESA-N 0 0 329.396 2.983 10 10 EFCERN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180074837 473792833 /nfs/dbraw/zinc/79/28/33/473792833.db2.gz IWLCSGWJNGCIHR-INIZCTEOSA-N 0 0 337.895 2.648 10 10 EFCERN Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130129 473806329 /nfs/dbraw/zinc/80/63/29/473806329.db2.gz DGYUSECYLONMKA-INIZCTEOSA-N 0 0 335.835 2.760 10 10 EFCERN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180230652 473834184 /nfs/dbraw/zinc/83/41/84/473834184.db2.gz RXIYIIJCMYBIGV-NHYWBVRUSA-N 0 0 345.270 2.852 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1C ZINC000187564923 473886626 /nfs/dbraw/zinc/88/66/26/473886626.db2.gz WFLCUBIEKSBCND-CRAIPNDOSA-N 0 0 329.444 2.629 10 10 EFCERN COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000288290969 473899884 /nfs/dbraw/zinc/89/98/84/473899884.db2.gz NAAZPIPFLAPFRC-INIZCTEOSA-N 0 0 332.375 2.643 10 10 EFCERN COc1cc(O)c(CN2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000180643331 473928578 /nfs/dbraw/zinc/92/85/78/473928578.db2.gz PGAKGXVXKXGEEL-SFHVURJKSA-N 0 0 333.384 2.884 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000181149869 474010075 /nfs/dbraw/zinc/01/00/75/474010075.db2.gz FJBWZOHRUUJIFX-MMCPSDEHSA-N 0 0 327.384 2.608 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000274911211 474010927 /nfs/dbraw/zinc/01/09/27/474010927.db2.gz IYXYWOZQJAHUIV-BMLIUANNSA-N 0 0 347.798 2.802 10 10 EFCERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCO2)o1 ZINC000181261220 474020092 /nfs/dbraw/zinc/02/00/92/474020092.db2.gz OBOZWUBRCATWPX-PFWMLDTASA-N 0 0 329.352 2.613 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282493137 474085261 /nfs/dbraw/zinc/08/52/61/474085261.db2.gz RHAYIXXJWTUVIJ-NHYWBVRUSA-N 0 0 329.400 2.641 10 10 EFCERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188405893 474085338 /nfs/dbraw/zinc/08/53/38/474085338.db2.gz YKLBIBQAJCEBBT-SFHVURJKSA-N 0 0 333.476 2.835 10 10 EFCERN COc1c(O)c(CN2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000282516461 474094874 /nfs/dbraw/zinc/09/48/74/474094874.db2.gz ZIPGRPRRANZRBC-UHFFFAOYSA-N 0 0 343.177 2.794 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1F ZINC000188470880 474103554 /nfs/dbraw/zinc/10/35/54/474103554.db2.gz DRLKJCMMBXCLGM-QGZVFWFLSA-N 0 0 348.422 2.937 10 10 EFCERN COCc1ccsc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182241006 474131222 /nfs/dbraw/zinc/13/12/22/474131222.db2.gz WWYURWOBYHFDEY-UHFFFAOYSA-N 0 0 332.425 3.000 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000282653198 474143812 /nfs/dbraw/zinc/14/38/12/474143812.db2.gz MVCFSKZBOCWTTI-UHFFFAOYSA-N 0 0 342.399 2.720 10 10 EFCERN CCc1ccc(C(=O)CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182532850 474199537 /nfs/dbraw/zinc/19/95/37/474199537.db2.gz RFRRFDAUEUYCJN-UHFFFAOYSA-N 0 0 327.380 2.940 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2CSc3ccccc3O2)c(O)c1 ZINC000225447385 474213973 /nfs/dbraw/zinc/21/39/73/474213973.db2.gz XPRLGQDBGWAGCJ-OAHLLOKOSA-N 0 0 331.393 2.570 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282973918 474260412 /nfs/dbraw/zinc/26/04/12/474260412.db2.gz IWFHJHBQPBQODA-BBRMVZONSA-N 0 0 325.836 2.703 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282973922 474260953 /nfs/dbraw/zinc/26/09/53/474260953.db2.gz IWFHJHBQPBQODA-CJNGLKHVSA-N 0 0 325.836 2.703 10 10 EFCERN CC(C)[C@H](C)O[C@@H]1CC(=O)Cc2c(O)c3c(O)ccc(O)c3c(O)c21 ZINC000248291404 474288376 /nfs/dbraw/zinc/28/83/76/474288376.db2.gz TXZSCURPFKHICE-NDMCHQMPSA-N 0 0 346.379 2.502 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3csc(Cl)n3)CC2)cc1 ZINC000275711109 474291965 /nfs/dbraw/zinc/29/19/65/474291965.db2.gz WBRQJJBKONLEPJ-UHFFFAOYSA-N 0 0 337.832 2.768 10 10 EFCERN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)S1(=O)=O ZINC000289675874 474374761 /nfs/dbraw/zinc/37/47/61/474374761.db2.gz DQTARYAARGDFLI-BXUZGUMPSA-N 0 0 331.865 2.752 10 10 EFCERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccc2O)ncn1 ZINC000183596765 474396370 /nfs/dbraw/zinc/39/63/70/474396370.db2.gz SCLGBUYYILVNND-ZIAGYGMSSA-N 0 0 327.432 2.544 10 10 EFCERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189695605 474465480 /nfs/dbraw/zinc/46/54/80/474465480.db2.gz SAVAMDLZZOXOMQ-XIRDDKMYSA-N 0 0 333.428 2.715 10 10 EFCERN C[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000283774816 474491649 /nfs/dbraw/zinc/49/16/49/474491649.db2.gz QAAHOCNHQHZGAJ-HNNXBMFYSA-N 0 0 333.476 2.978 10 10 EFCERN COc1ccnc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1OC ZINC000276423114 474539198 /nfs/dbraw/zinc/53/91/98/474539198.db2.gz GIXUVDABVYUJCV-UHFFFAOYSA-N 0 0 348.399 2.761 10 10 EFCERN CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276348 474564288 /nfs/dbraw/zinc/56/42/88/474564288.db2.gz WRZPGELHXCWUGE-WDEREUQCSA-N 0 0 349.387 2.510 10 10 EFCERN COc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1OC ZINC000190221853 474566159 /nfs/dbraw/zinc/56/61/59/474566159.db2.gz HWDCRMDYZVCADQ-LBPRGKRZSA-N 0 0 346.431 2.701 10 10 EFCERN CCOc1cccc(CN[C@@H](C(=O)OC)c2cccc(O)c2)c1O ZINC000276754087 474570257 /nfs/dbraw/zinc/57/02/57/474570257.db2.gz LQPIILRWPODJIW-MRXNPFEDSA-N 0 0 331.368 2.500 10 10 EFCERN C[C@H]1CC[N@H+](Cc2ccccc2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290589181 474578550 /nfs/dbraw/zinc/57/85/50/474578550.db2.gz VDXSVNOTNYPHSJ-MJVIPROJSA-N 0 0 330.350 2.670 10 10 EFCERN COc1cc(Cl)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000184697892 474588023 /nfs/dbraw/zinc/58/80/23/474588023.db2.gz IEMRZLJELRMQDB-LBPRGKRZSA-N 0 0 325.714 2.553 10 10 EFCERN CN1CCCc2cc(CN3C(=O)[C@@H]4[C@H]5CCC[C@@H]5CN4C3=O)ccc21 ZINC000277911528 474598730 /nfs/dbraw/zinc/59/87/30/474598730.db2.gz PXXGFVKWYKQMLM-RYRKJORJSA-N 0 0 339.439 2.632 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000278246113 474604826 /nfs/dbraw/zinc/60/48/26/474604826.db2.gz UITHAVGHRHVUIB-CQSZACIVSA-N 0 0 345.296 2.861 10 10 EFCERN CO[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000292899196 474705881 /nfs/dbraw/zinc/70/58/81/474705881.db2.gz XGHJHPCDYOGICB-OALUTQOASA-N 0 0 346.471 2.687 10 10 EFCERN CO[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000292899200 474705902 /nfs/dbraw/zinc/70/59/02/474705902.db2.gz XGHJHPCDYOGICB-RBUKOAKNSA-N 0 0 346.471 2.687 10 10 EFCERN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)n(C)n1 ZINC000278584910 474719485 /nfs/dbraw/zinc/71/94/85/474719485.db2.gz YMFHATLRAAOXGI-HIFRSBDPSA-N 0 0 332.423 2.893 10 10 EFCERN Cc1cc(Cl)cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000278589842 474724349 /nfs/dbraw/zinc/72/43/49/474724349.db2.gz DTRLMKMQPNUXOQ-CQSZACIVSA-N 0 0 331.865 2.753 10 10 EFCERN COc1ccc(N(C)Cc2c(Br)cnn2C)cc1F ZINC000278718512 474793158 /nfs/dbraw/zinc/79/31/58/474793158.db2.gz QIPBYQHEZNROMI-UHFFFAOYSA-N 0 0 328.185 2.967 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cn(C)nc1C1CC1 ZINC000292002666 474797394 /nfs/dbraw/zinc/79/73/94/474797394.db2.gz HUYKOMLBSDFTEE-UHFFFAOYSA-N 0 0 341.415 2.794 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000273363782 474860102 /nfs/dbraw/zinc/86/01/02/474860102.db2.gz DPNSMXJYCCJKDA-PXAZEXFGSA-N 0 0 345.395 2.572 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn[nH]c1 ZINC000292146625 474872723 /nfs/dbraw/zinc/87/27/23/474872723.db2.gz PCJPCQQGONGOJR-UHFFFAOYSA-N 0 0 329.448 2.638 10 10 EFCERN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273387044 474872740 /nfs/dbraw/zinc/87/27/40/474872740.db2.gz JTNDRFBVXIEFGT-GFCCVEGCSA-N 0 0 335.404 2.598 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000273588516 474977630 /nfs/dbraw/zinc/97/76/30/474977630.db2.gz OPZOEVGDNKFGKR-BBRMVZONSA-N 0 0 329.396 2.606 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000273588518 474977967 /nfs/dbraw/zinc/97/79/67/474977967.db2.gz OPZOEVGDNKFGKR-CJNGLKHVSA-N 0 0 329.396 2.606 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000280589582 475037342 /nfs/dbraw/zinc/03/73/42/475037342.db2.gz BENGOMHNIPKWME-MFKMUULPSA-N 0 0 327.808 2.876 10 10 EFCERN CC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H](C)C1 ZINC000268687537 475038267 /nfs/dbraw/zinc/03/82/67/475038267.db2.gz DQUJBEHTZVSFQF-MRXNPFEDSA-N 0 0 339.439 2.787 10 10 EFCERN CC(C)c1nn(C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000280799867 475051457 /nfs/dbraw/zinc/05/14/57/475051457.db2.gz QZZFFZTWOLVPSN-LLVKDONJSA-N 0 0 332.404 2.707 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000286344412 475061354 /nfs/dbraw/zinc/06/13/54/475061354.db2.gz GXYYFBCURLJCNZ-OWWQLCIYSA-N 0 0 346.383 2.929 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631559799 480154935 /nfs/dbraw/zinc/15/49/35/480154935.db2.gz JJFZKSVZNQIIEY-JKSUJKDBSA-N 0 0 330.428 2.541 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1n[nH]cc1C(F)(F)F ZINC000631562109 480155501 /nfs/dbraw/zinc/15/55/01/480155501.db2.gz LQQAOJZCBIKOBN-UHFFFAOYSA-N 0 0 340.305 2.534 10 10 EFCERN CN(C)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301595857 476170035 /nfs/dbraw/zinc/17/00/35/476170035.db2.gz FZBDIDOFDYVXJA-UHFFFAOYSA-N 0 0 342.355 2.604 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301722728 476175014 /nfs/dbraw/zinc/17/50/14/476175014.db2.gz NUIAPBXUSRRVAY-UGZTXVKMSA-N 0 0 346.383 2.786 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCSC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302706542 476202241 /nfs/dbraw/zinc/20/22/41/476202241.db2.gz HACOAMJXVIQGNW-FUEXJSSKSA-N 0 0 336.413 2.970 10 10 EFCERN COCC[C@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000368763753 476369343 /nfs/dbraw/zinc/36/93/43/476369343.db2.gz VIXQJKZFSALCDQ-GFCCVEGCSA-N 0 0 349.387 2.569 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374723879 476503772 /nfs/dbraw/zinc/50/37/72/476503772.db2.gz QZXOQTULCWGQDE-BZNIZROVSA-N 0 0 343.826 2.842 10 10 EFCERN Cn1cc(NCc2ccc(N3CCOCC3)cc2)c(-c2ccccn2)n1 ZINC000378645527 476724330 /nfs/dbraw/zinc/72/43/30/476724330.db2.gz NPIOURGHLGNPCD-UHFFFAOYSA-N 0 0 349.438 2.931 10 10 EFCERN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C)c1O ZINC000370367984 476775913 /nfs/dbraw/zinc/77/59/13/476775913.db2.gz RIGHXMYKPRAGHU-KBPBESRZSA-N 0 0 327.808 2.506 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(C1)CCCOC2 ZINC000376603176 477425468 /nfs/dbraw/zinc/42/54/68/477425468.db2.gz XJLCPNLHLTUSQV-UHFFFAOYSA-N 0 0 329.444 2.609 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c(O)c1O ZINC000371677219 477438594 /nfs/dbraw/zinc/43/85/94/477438594.db2.gz RTQGGMXDYBCADO-ZBFHGGJFSA-N 0 0 327.380 2.914 10 10 EFCERN CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376673129 477454993 /nfs/dbraw/zinc/45/49/93/477454993.db2.gz PTKQJCWAWXDHBX-PBHICJAKSA-N 0 0 341.835 2.824 10 10 EFCERN CC(=O)Nc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437010458 477661771 /nfs/dbraw/zinc/66/17/71/477661771.db2.gz PTNFVQVCZYGDSP-UHFFFAOYSA-N 0 0 339.395 2.750 10 10 EFCERN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086305 477784344 /nfs/dbraw/zinc/78/43/44/477784344.db2.gz PCFUHTDWWWOJIL-HOTGVXAUSA-N 0 0 344.386 2.721 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(F)(F)C[C@@H]2CO)cc1 ZINC000368421110 477806123 /nfs/dbraw/zinc/80/61/23/477806123.db2.gz YFIFPCGOVYXJSE-MRXNPFEDSA-N 0 0 334.366 2.936 10 10 EFCERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1cccc2nsnc21 ZINC000526004991 478400553 /nfs/dbraw/zinc/40/05/53/478400553.db2.gz BCQXSGFSHTXFCE-UHFFFAOYSA-N 0 0 344.421 2.998 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1O ZINC000528790922 478935440 /nfs/dbraw/zinc/93/54/40/478935440.db2.gz NNFLKQSODBOZSR-OAHLLOKOSA-N 0 0 331.347 2.567 10 10 EFCERN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000529350676 479133618 /nfs/dbraw/zinc/13/36/18/479133618.db2.gz LDDFUTDYOPCKTD-LBPRGKRZSA-N 0 0 344.242 2.783 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)C3CCC3)ccc21 ZINC000617305581 480159393 /nfs/dbraw/zinc/15/93/93/480159393.db2.gz QMNRJLQZGHVGHW-SFHVURJKSA-N 0 0 344.455 2.795 10 10 EFCERN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCOC[C@@H]3C3CC3)cc12 ZINC000643272783 481380098 /nfs/dbraw/zinc/38/00/98/481380098.db2.gz YUSVKOPCPOQEMZ-LJQANCHMSA-N 0 0 342.439 2.811 10 10 EFCERN C[C@@H](CN1CCCc2cc(OC(F)F)ccc21)CS(C)(=O)=O ZINC000163120476 533833381 /nfs/dbraw/zinc/83/33/81/533833381.db2.gz ZVBDIJVTLCLBJO-NSHDSACASA-N 0 0 333.400 2.721 10 10 EFCERN Cc1cc(C(=O)NCc2nnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000041141627 534063279 /nfs/dbraw/zinc/06/32/79/534063279.db2.gz BCNNBNNSEPOPIE-UHFFFAOYSA-N 0 0 349.438 2.952 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000172065361 534200879 /nfs/dbraw/zinc/20/08/79/534200879.db2.gz CSNFEOKEJUTENE-HNNXBMFYSA-N 0 0 328.368 2.724 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000161247179 534201811 /nfs/dbraw/zinc/20/18/11/534201811.db2.gz SASFBNXVWJCBTG-WBMJQRKESA-N 0 0 342.395 2.765 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000298173183 520901217 /nfs/dbraw/zinc/90/12/17/520901217.db2.gz FYVFHKSCZONDNK-SJORKVTESA-N 0 0 333.476 2.883 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298478846 526680578 /nfs/dbraw/zinc/68/05/78/526680578.db2.gz ZSMIXJLQOWOUKK-IAGOWNOFSA-N 0 0 331.460 2.637 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3cncn3)C2)c1O ZINC000177122909 527206125 /nfs/dbraw/zinc/20/61/25/527206125.db2.gz WHKIZVVDPJZFAM-CQSZACIVSA-N 0 0 334.807 2.677 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000175625377 527210100 /nfs/dbraw/zinc/21/01/00/527210100.db2.gz QIRMPRPHPCCOMQ-CQSZACIVSA-N 0 0 336.388 2.764 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000172555720 528300258 /nfs/dbraw/zinc/30/02/58/528300258.db2.gz WQRSUGMFGGXPAY-MRXNPFEDSA-N 0 0 347.459 2.627 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnccn2)cc1F ZINC000172288736 528301436 /nfs/dbraw/zinc/30/14/36/528301436.db2.gz YITDAJCNLTXGNY-UHFFFAOYSA-N 0 0 345.422 2.804 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]2CCO[C@H]21 ZINC000247198729 535057650 /nfs/dbraw/zinc/05/76/50/535057650.db2.gz ZWIBXPJZCFQDMD-RCCFBDPRSA-N 0 0 341.455 2.676 10 10 EFCERN CCc1noc(C)c1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296306832 535881712 /nfs/dbraw/zinc/88/17/12/535881712.db2.gz GBFQGYAWUYIXMJ-UHFFFAOYSA-N 0 0 340.427 2.921 10 10 EFCERN CCn1ccnc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278894 536111873 /nfs/dbraw/zinc/11/18/73/536111873.db2.gz DXSWOWQRDRYCPO-CQSZACIVSA-N 0 0 332.423 2.730 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC[C@@]4(C3)CCCOC4)ccc21 ZINC000367890000 536395784 /nfs/dbraw/zinc/39/57/84/536395784.db2.gz QGEKWMZDDJFRCO-HXUWFJFHSA-N 0 0 343.471 2.781 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NCc3ccnn3C)c2C)cc1 ZINC000298293443 536552232 /nfs/dbraw/zinc/55/22/32/536552232.db2.gz FIQZFPKIDTZNHU-UHFFFAOYSA-N 0 0 338.411 2.766 10 10 EFCERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806880 536553273 /nfs/dbraw/zinc/55/32/73/536553273.db2.gz GYVIZCKLAPHNDM-PEYYIBSZSA-N 0 0 335.375 2.507 10 10 EFCERN COc1ccc(N2CCCN(c3nccnc3OC(C)C)CC2)cc1 ZINC000302204328 536672559 /nfs/dbraw/zinc/67/25/59/536672559.db2.gz CKKZVIDSAQJSHA-UHFFFAOYSA-N 0 0 342.443 2.989 10 10 EFCERN COc1ccc(N2CCCN(Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000195096939 536672648 /nfs/dbraw/zinc/67/26/48/536672648.db2.gz FNOAKZNOSOZQDB-UHFFFAOYSA-N 0 0 343.475 2.659 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)cc1 ZINC000042047323 536676319 /nfs/dbraw/zinc/67/63/19/536676319.db2.gz FBHQMYHWOZFZRP-MDZDMXLPSA-N 0 0 326.396 2.959 10 10 EFCERN COC(C)(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362811034 536881553 /nfs/dbraw/zinc/88/15/53/536881553.db2.gz KMVZGKMKIAORRJ-UHFFFAOYSA-N 0 0 342.386 2.798 10 10 EFCERN CN(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046645 545651310 /nfs/dbraw/zinc/65/13/10/545651310.db2.gz XEWKYZAVXPHKMG-MRXNPFEDSA-N 0 0 344.377 2.763 10 10 EFCERN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000755123870 575546179 /nfs/dbraw/zinc/54/61/79/575546179.db2.gz ZQTJJYOQSRFTJA-QGZVFWFLSA-N 0 0 331.460 2.711 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000756350789 575721544 /nfs/dbraw/zinc/72/15/44/575721544.db2.gz FVSAHNZCPRKRQT-JSGCOSHPSA-N 0 0 343.379 2.669 10 10 EFCERN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756486803 575747286 /nfs/dbraw/zinc/74/72/86/575747286.db2.gz HRJVKBUTCBCANK-IUCAKERBSA-N 0 0 343.200 2.625 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)c2sccc2C)c1 ZINC000756736604 575782344 /nfs/dbraw/zinc/78/23/44/575782344.db2.gz ORVBDIUPNCGANH-BXUZGUMPSA-N 0 0 335.425 2.933 10 10 EFCERN C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756776825 575786171 /nfs/dbraw/zinc/78/61/71/575786171.db2.gz DUOUJLXEUZHVIN-QMMMGPOBSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cn[nH]c1 ZINC000757728366 575851844 /nfs/dbraw/zinc/85/18/44/575851844.db2.gz WWZDUNKAJKTXQM-ZDUSSCGKSA-N 0 0 327.432 2.911 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cn2cnc3c2CCCC3)cc1 ZINC000757856962 575854664 /nfs/dbraw/zinc/85/46/64/575854664.db2.gz JIUFNCMJXQUONZ-UHFFFAOYSA-N 0 0 340.471 2.925 10 10 EFCERN CCC[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000758287245 575865628 /nfs/dbraw/zinc/86/56/28/575865628.db2.gz ZVTJMJKQMJIEFD-OWNNVSBGSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(-c2nc(COC(=O)c3cccc(O)c3O)no2)cc1 ZINC000758573199 575873122 /nfs/dbraw/zinc/87/31/22/575873122.db2.gz PQVSLDOCAAKXLG-UHFFFAOYSA-N 0 0 342.307 2.513 10 10 EFCERN Cc1ccc(-c2noc(COC(=O)c3cccc(O)c3O)n2)cc1 ZINC000758581213 575873298 /nfs/dbraw/zinc/87/32/98/575873298.db2.gz LGNCMHYWNBYUMC-UHFFFAOYSA-N 0 0 326.308 2.813 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000758953704 575881153 /nfs/dbraw/zinc/88/11/53/575881153.db2.gz GAVQDWIGIMZHQS-XQRVVYSFSA-N 0 0 346.383 2.788 10 10 EFCERN Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000759136587 575885261 /nfs/dbraw/zinc/88/52/61/575885261.db2.gz SADIHORKNOBPHP-UHFFFAOYSA-N 0 0 325.412 2.966 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@H]3CC34CCCC4)CC2)cc1F ZINC000759306774 575888957 /nfs/dbraw/zinc/88/89/57/575888957.db2.gz ZXSOFRKUQYTADT-KRWDZBQOSA-N 0 0 347.434 2.999 10 10 EFCERN COc1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000759587536 575904950 /nfs/dbraw/zinc/90/49/50/575904950.db2.gz AHNHDUYFIOFPPR-DAXSKMNVSA-N 0 0 345.307 2.771 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(C2CCCC2)no1 ZINC000759588903 575905255 /nfs/dbraw/zinc/90/52/55/575905255.db2.gz PJLSNOCTOMGYAT-VURMDHGXSA-N 0 0 330.340 2.895 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cc2OC)OCO3)c1 ZINC000759958783 575962340 /nfs/dbraw/zinc/96/23/40/575962340.db2.gz QJTJFXUQPCXFIF-JTQLQIEISA-N 0 0 345.351 2.629 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@H](C3CC3)C2=O)c(C)n1-c1ccccc1 ZINC000760971472 576095809 /nfs/dbraw/zinc/09/58/09/576095809.db2.gz RPFLYPGEUJLMKC-GOSISDBHSA-N 0 0 337.423 2.967 10 10 EFCERN CC[C@@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760968605 576095952 /nfs/dbraw/zinc/09/59/52/576095952.db2.gz HMZVFCYOQULVNG-KRWDZBQOSA-N 0 0 325.412 2.967 10 10 EFCERN CC=CC[C@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O ZINC000761096679 576112970 /nfs/dbraw/zinc/11/29/70/576112970.db2.gz DRHLUFMSDYWZOI-WOMSROEHSA-N 0 0 345.468 2.626 10 10 EFCERN COc1ccc(N(C)Cc2cnc3nc(C)cc(C)n23)cc1OC ZINC000761221451 576131896 /nfs/dbraw/zinc/13/18/96/576131896.db2.gz NKDGLTKLKYFLMS-UHFFFAOYSA-N 0 0 326.400 3.000 10 10 EFCERN CC=CC[C@H]1NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761224133 576132295 /nfs/dbraw/zinc/13/22/95/576132295.db2.gz UEOLKWQZSTYSHI-CWIOURORSA-N 0 0 343.427 2.551 10 10 EFCERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000762921088 576347160 /nfs/dbraw/zinc/34/71/60/576347160.db2.gz PEQAOJNSIXGFRE-ZYHUDNBSSA-N 0 0 340.445 2.829 10 10 EFCERN Cc1cnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(O)c1 ZINC000763243753 576369203 /nfs/dbraw/zinc/36/92/03/576369203.db2.gz KOSJCAYCZKLDMP-UHFFFAOYSA-N 0 0 343.452 2.579 10 10 EFCERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(OC)c(C)c1 ZINC000763482185 576378758 /nfs/dbraw/zinc/37/87/58/576378758.db2.gz WCFLLINFILOXNU-KRWDZBQOSA-N 0 0 328.412 2.663 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCc1noc(C2CC2)n1 ZINC000764467703 576461590 /nfs/dbraw/zinc/46/15/90/576461590.db2.gz QBYROQLETXLGND-UHFFFAOYSA-N 0 0 330.388 2.774 10 10 EFCERN CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765002333 576535151 /nfs/dbraw/zinc/53/51/51/576535151.db2.gz ZWTJUDFRGPXAEX-WBVHZDCISA-N 0 0 345.487 2.687 10 10 EFCERN Cc1cc(CCNC(=O)[C@]2(O)CCSC2)c(C)n1-c1ccccc1 ZINC000765557456 577054189 /nfs/dbraw/zinc/05/41/89/577054189.db2.gz SNWDVCGBWKCMAH-IBGZPJMESA-N 0 0 344.480 2.621 10 10 EFCERN O=C(NCCCSc1nccs1)NCCOCC1CCC1 ZINC000765888230 577085277 /nfs/dbraw/zinc/08/52/77/577085277.db2.gz DUBNRNDZOSLPSN-UHFFFAOYSA-N 0 0 329.491 2.741 10 10 EFCERN CCOc1ccc(N(CC)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000766251748 577127173 /nfs/dbraw/zinc/12/71/73/577127173.db2.gz YAIZGIYXVMHHER-GOSISDBHSA-N 0 0 332.444 2.549 10 10 EFCERN CCOC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000768381392 577270445 /nfs/dbraw/zinc/27/04/45/577270445.db2.gz YJUUWVRFGFVKJM-UHFFFAOYSA-N 0 0 334.460 2.687 10 10 EFCERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439113 577273578 /nfs/dbraw/zinc/27/35/78/577273578.db2.gz HSJJEEFBRHYUKZ-BMLIUANNSA-N 0 0 342.351 2.677 10 10 EFCERN COc1cc(CN2CCO[C@H](c3noc(C4CC4)n3)C2)c(O)cc1C ZINC000768444517 577273976 /nfs/dbraw/zinc/27/39/76/577273976.db2.gz MAXPXHIAQRBVFQ-INIZCTEOSA-N 0 0 345.399 2.543 10 10 EFCERN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000768453913 577275252 /nfs/dbraw/zinc/27/52/52/577275252.db2.gz GJLWPTWYDOTNFB-FQEVSTJZSA-N 0 0 344.455 2.838 10 10 EFCERN COC(=O)c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000769028500 577325190 /nfs/dbraw/zinc/32/51/90/577325190.db2.gz SHLJBUUAQYTWBS-JTQLQIEISA-N 0 0 347.342 2.818 10 10 EFCERN CCN(CC)c1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000769468157 577364708 /nfs/dbraw/zinc/36/47/08/577364708.db2.gz BAFHVJJZDFLSFE-HNNXBMFYSA-N 0 0 342.480 2.538 10 10 EFCERN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468255 577364737 /nfs/dbraw/zinc/36/47/37/577364737.db2.gz FUOROXADYDOWCL-SECBINFHSA-N 0 0 338.256 2.566 10 10 EFCERN CCN(CC)c1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000769468159 577364793 /nfs/dbraw/zinc/36/47/93/577364793.db2.gz BAFHVJJZDFLSFE-OAHLLOKOSA-N 0 0 342.480 2.538 10 10 EFCERN CN(C)c1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000769677417 577378132 /nfs/dbraw/zinc/37/81/32/577378132.db2.gz GVANVGPWPARERR-UHFFFAOYSA-N 0 0 337.467 2.817 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(Cl)n1 ZINC000769691495 577378810 /nfs/dbraw/zinc/37/88/10/577378810.db2.gz VDRXFLAQPKCGHK-UHFFFAOYSA-N 0 0 337.832 2.563 10 10 EFCERN Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000770000103 577397122 /nfs/dbraw/zinc/39/71/22/577397122.db2.gz RFRKPEOKNMOJTN-OAHLLOKOSA-N 0 0 332.787 2.793 10 10 EFCERN O=C1OCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000770389321 577414735 /nfs/dbraw/zinc/41/47/35/577414735.db2.gz GCQYNTOPJVFBIS-GOSISDBHSA-N 0 0 329.444 2.703 10 10 EFCERN O=C1OCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000770389322 577414777 /nfs/dbraw/zinc/41/47/77/577414777.db2.gz GCQYNTOPJVFBIS-SFHVURJKSA-N 0 0 329.444 2.703 10 10 EFCERN O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccccc2O)CC1 ZINC000770509533 577422162 /nfs/dbraw/zinc/42/21/62/577422162.db2.gz NMDWYLKBUOWPSE-UHFFFAOYSA-N 0 0 332.350 2.628 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc([S@](C)=O)c2)c1 ZINC000771416001 581209786 /nfs/dbraw/zinc/20/97/86/581209786.db2.gz BLKJKZDQYIADNJ-BGJPBQGDSA-N 0 0 333.409 2.629 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000771634753 581229172 /nfs/dbraw/zinc/22/91/72/581229172.db2.gz CKJHJZMVZGSXGW-KRWDZBQOSA-N 0 0 329.444 2.933 10 10 EFCERN CC(C)[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000772503391 581331193 /nfs/dbraw/zinc/33/11/93/581331193.db2.gz VYLLYRYJSNMJJA-DLBZAZTESA-N 0 0 332.444 2.546 10 10 EFCERN COc1cccc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000772768913 581365643 /nfs/dbraw/zinc/36/56/43/581365643.db2.gz LSBBNRXYUNMTHL-SOFGYWHQSA-N 0 0 328.320 2.546 10 10 EFCERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772994574 581386380 /nfs/dbraw/zinc/38/63/80/581386380.db2.gz NXKZGKHOZLMJES-OAHLLOKOSA-N 0 0 339.439 2.668 10 10 EFCERN COc1cccc(CS(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084500 581395179 /nfs/dbraw/zinc/39/51/79/581395179.db2.gz QGLPESFTMAEPTA-CQSZACIVSA-N 0 0 348.468 2.942 10 10 EFCERN C[C@@H](NCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133753 581399559 /nfs/dbraw/zinc/39/95/59/581399559.db2.gz UAEGBKACLVNKDC-CYBMUJFWSA-N 0 0 334.851 2.761 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773397966 581426876 /nfs/dbraw/zinc/42/68/76/581426876.db2.gz NVDJGWSBZFGWRZ-JSGCOSHPSA-N 0 0 329.448 2.776 10 10 EFCERN COC(=O)CCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773623797 581451588 /nfs/dbraw/zinc/45/15/88/581451588.db2.gz XWVWTZPTCFKVFW-CQSZACIVSA-N 0 0 335.448 2.846 10 10 EFCERN Cc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000774258143 581488222 /nfs/dbraw/zinc/48/82/22/581488222.db2.gz OIRAFPLUKMXMJB-UHFFFAOYSA-N 0 0 342.468 2.713 10 10 EFCERN O=C(c1cnc(NCc2ccccc2O)c(Cl)c1)N1CCOCC1 ZINC000774523847 581493262 /nfs/dbraw/zinc/49/32/62/581493262.db2.gz LLCVDXNWPYTXJX-UHFFFAOYSA-N 0 0 347.802 2.525 10 10 EFCERN C[C@H]1CCOCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650947 581496487 /nfs/dbraw/zinc/49/64/87/581496487.db2.gz SRKQLGHXBDLQSY-AWEZNQCLSA-N 0 0 341.407 2.940 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000774963787 581505270 /nfs/dbraw/zinc/50/52/70/581505270.db2.gz KKGHVLCAJKWTQR-SNVBAGLBSA-N 0 0 346.339 2.889 10 10 EFCERN C[C@@H]1C[C@H]1n1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001707998776 1248811198 /nfs/dbraw/zinc/81/11/98/1248811198.db2.gz ATURHBHGINFAPD-BPLDGKMQSA-N 0 0 328.416 2.705 10 10 EFCERN Oc1cccc(-c2nc(-c3ccncc3Br)no2)c1O ZINC000395148665 1249476129 /nfs/dbraw/zinc/47/61/29/1249476129.db2.gz MPEHBPUTRFZTFD-UHFFFAOYSA-N 0 0 334.129 2.972 10 10 EFCERN Oc1ccc(-c2nc(-c3ccncc3Br)no2)cc1O ZINC000395126818 1249474328 /nfs/dbraw/zinc/47/43/28/1249474328.db2.gz CMOSILTWJOZBHC-UHFFFAOYSA-N 0 0 334.129 2.972 10 10 EFCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CC1 ZINC001708400319 1250150144 /nfs/dbraw/zinc/15/01/44/1250150144.db2.gz PFHAXTZFHYLJMT-ZDUSSCGKSA-N 0 0 330.432 2.659 10 10 EFCERN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1(=O)=O ZINC000850367959 1250450542 /nfs/dbraw/zinc/45/05/42/1250450542.db2.gz GCJYJIPZINVJOZ-KCJUWKMLSA-N 0 0 338.256 2.754 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC(O)(C2CC2)C2CC2)c1[O-] ZINC000850386016 1250457786 /nfs/dbraw/zinc/45/77/86/1250457786.db2.gz FFWOEKQJHOUENS-UHFFFAOYSA-N 0 0 326.780 2.595 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388256 1250459706 /nfs/dbraw/zinc/45/97/06/1250459706.db2.gz KGVQTKKNLTZYKY-CHWSQXEVSA-N 0 0 326.234 2.856 10 10 EFCERN Cc1c(Cl)c(CNCc2ccc(N3CCC(O)CC3)cc2)nn1C ZINC000850406932 1250469695 /nfs/dbraw/zinc/46/96/95/1250469695.db2.gz ZLEIKXCHFVJMFX-UHFFFAOYSA-N 0 0 348.878 2.633 10 10 EFCERN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000850484925 1250499985 /nfs/dbraw/zinc/49/99/85/1250499985.db2.gz UNUMLMZUYLCBPJ-LBPRGKRZSA-N 0 0 343.383 2.787 10 10 EFCERN C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(F)cc(F)c1[O-] ZINC000850485988 1250502502 /nfs/dbraw/zinc/50/25/02/1250502502.db2.gz PSCKSGMVTRCVCP-SNVBAGLBSA-N 0 0 333.400 2.536 10 10 EFCERN C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000850500748 1250510049 /nfs/dbraw/zinc/51/00/49/1250510049.db2.gz IZUXSRXSLCMHCJ-ZUZCIYMTSA-N 0 0 332.350 2.909 10 10 EFCERN C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000850500747 1250510428 /nfs/dbraw/zinc/51/04/28/1250510428.db2.gz IZUXSRXSLCMHCJ-MEBBXXQBSA-N 0 0 332.350 2.909 10 10 EFCERN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850497595 1250511587 /nfs/dbraw/zinc/51/15/87/1250511587.db2.gz VYNBISPLIBNTRM-MWAODPMSSA-N 0 0 331.306 2.632 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850501757 1250513618 /nfs/dbraw/zinc/51/36/18/1250513618.db2.gz PEASIZYFMXSHHJ-CAVOSLQRSA-N 0 0 338.404 2.517 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850501758 1250514256 /nfs/dbraw/zinc/51/42/56/1250514256.db2.gz PEASIZYFMXSHHJ-FAXLKDOZSA-N 0 0 338.404 2.517 10 10 EFCERN COCc1n[nH]c(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000850514009 1250517757 /nfs/dbraw/zinc/51/77/57/1250517757.db2.gz KJWQYLBLBGGZAM-CYBMUJFWSA-N 0 0 347.438 2.931 10 10 EFCERN C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(F)cc1[O-] ZINC000850556572 1250534305 /nfs/dbraw/zinc/53/43/05/1250534305.db2.gz HPOSDHLUYWTBHW-FSPWUOQZSA-N 0 0 334.435 2.825 10 10 EFCERN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C ZINC000850573075 1250542283 /nfs/dbraw/zinc/54/22/83/1250542283.db2.gz UAQSJDWHKNGMLF-UONOGXRCSA-N 0 0 332.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(N)c(C)c3)C2)cc1 ZINC000850768011 1250604281 /nfs/dbraw/zinc/60/42/81/1250604281.db2.gz JUEZWTVFCZTKIU-OAHLLOKOSA-N 0 0 340.427 2.986 10 10 EFCERN CC1(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)CCc2ccccc21 ZINC000850834763 1250639249 /nfs/dbraw/zinc/63/92/49/1250639249.db2.gz HMLKRPSIMMQZQX-UHFFFAOYSA-N 0 0 337.423 2.570 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccc3N)C2)cc1 ZINC000851640004 1251160216 /nfs/dbraw/zinc/16/02/16/1251160216.db2.gz OVJKBFRKYBRJLV-MRXNPFEDSA-N 0 0 339.439 2.605 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)cc1F ZINC000851657359 1251184349 /nfs/dbraw/zinc/18/43/49/1251184349.db2.gz YFEAHZTVNGCQHK-QGZVFWFLSA-N 0 0 342.418 2.961 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1CC1CCC1)cc2=O ZINC000851709558 1251213942 /nfs/dbraw/zinc/21/39/42/1251213942.db2.gz SCKVYRPTUACOSH-AWEZNQCLSA-N 0 0 344.415 2.678 10 10 EFCERN Cc1ccc(C(=O)OCc2cc(C(F)(F)F)nn2C)c(O)c1O ZINC000922401447 1265940485 /nfs/dbraw/zinc/94/04/85/1265940485.db2.gz MMEKWUAYAOHAHT-UHFFFAOYSA-N 0 0 330.262 2.516 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)OC2CCCCC2)cc1 ZINC001626042015 1257658771 /nfs/dbraw/zinc/65/87/71/1257658771.db2.gz PNSITAQMHPMNKK-UHFFFAOYSA-N 0 0 346.387 2.845 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000921641141 1257965374 /nfs/dbraw/zinc/96/53/74/1257965374.db2.gz VTFCIVBZIRDYFS-XZJROXQQSA-N 0 0 334.391 2.678 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000921641133 1257965414 /nfs/dbraw/zinc/96/54/14/1257965414.db2.gz VTFCIVBZIRDYFS-IUIKQTSFSA-N 0 0 334.391 2.678 10 10 EFCERN COc1ccc(O)c([C@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000186262378 1258766886 /nfs/dbraw/zinc/76/68/86/1258766886.db2.gz DRNMLHKZYZKYSM-ZDUSSCGKSA-N 0 0 341.411 2.510 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000186439077 1261097095 /nfs/dbraw/zinc/09/70/95/1261097095.db2.gz HULKNYNZMNXNPD-GFCCVEGCSA-N 0 0 339.391 2.517 10 10 EFCERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000923310178 1261459439 /nfs/dbraw/zinc/45/94/39/1261459439.db2.gz YMUMNHQVMXYUBM-SWLSCSKDSA-N 0 0 330.359 2.895 10 10 EFCERN CCN(CCC(N)=O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000923457021 1261681146 /nfs/dbraw/zinc/68/11/46/1261681146.db2.gz CAFPWVFIVOJZCF-UHFFFAOYSA-N 0 0 342.443 2.501 10 10 EFCERN COCC[C@@H](Cc1ccco1)NC(=O)NCc1c(O)cccc1F ZINC000921910144 1263333094 /nfs/dbraw/zinc/33/30/94/1263333094.db2.gz GIINDUQMQZYBPJ-LBPRGKRZSA-N 0 0 336.363 2.571 10 10 EFCERN C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000715739810 1263906802 /nfs/dbraw/zinc/90/68/02/1263906802.db2.gz ZMFILVAIMBUXRG-UHFFFAOYSA-N 0 0 331.229 2.820 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H](C)CC[C@H]3CO)ccc21 ZINC000921995853 1264070354 /nfs/dbraw/zinc/07/03/54/1264070354.db2.gz YWSKWHWVWYUGRQ-GUYCJALGSA-N 0 0 344.455 2.890 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000922053919 1264226948 /nfs/dbraw/zinc/22/69/48/1264226948.db2.gz GLQHLDTUQWDDLB-ZFZWDLNGSA-N 0 0 347.459 2.795 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000922055966 1264230815 /nfs/dbraw/zinc/23/08/15/1264230815.db2.gz URWLPUXZYJFSDS-CYBMUJFWSA-N 0 0 335.448 2.702 10 10 EFCERN COC(=O)C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000922056353 1264231274 /nfs/dbraw/zinc/23/12/74/1264231274.db2.gz YVEQYYFAONHTRP-IIAWOOMASA-N 0 0 347.459 2.654 10 10 EFCERN Cn1cc(Br)c(CNCc2ccc3c(c2)CCCO3)n1 ZINC000922159357 1264599044 /nfs/dbraw/zinc/59/90/44/1264599044.db2.gz QDLWQYFONGOUGB-UHFFFAOYSA-N 0 0 336.233 2.797 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3c(C)cccc32)c1 ZINC000733944686 1266785494 /nfs/dbraw/zinc/78/54/94/1266785494.db2.gz NYSIXZOPJXCNTP-CMDGGOBGSA-N 0 0 335.407 2.742 10 10 EFCERN CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000824669619 1278239872 /nfs/dbraw/zinc/23/98/72/1278239872.db2.gz OMAAIHLEXCKRHI-AWEZNQCLSA-N 0 0 349.372 2.684 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]3C3CC3)C2)cc1 ZINC000824682393 1278243489 /nfs/dbraw/zinc/24/34/89/1278243489.db2.gz ZLLPAVCYUQOBPA-RDTXWAMCSA-N 0 0 329.444 2.715 10 10 EFCERN CO[C@@](C)(CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000922707973 1266628431 /nfs/dbraw/zinc/62/84/31/1266628431.db2.gz GVQWHNHNCRDBSY-SFHVURJKSA-N 0 0 332.375 2.892 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000922760704 1266748424 /nfs/dbraw/zinc/74/84/24/1266748424.db2.gz ZLKNSDHXLGYOSU-SJKOYZFVSA-N 0 0 345.374 2.646 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799778 1278289787 /nfs/dbraw/zinc/28/97/87/1278289787.db2.gz QYPUQGQTUHJULA-DOMZBBRYSA-N 0 0 338.404 2.850 10 10 EFCERN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000825307286 1267070080 /nfs/dbraw/zinc/07/00/80/1267070080.db2.gz YWHFCSKVQDRQIR-KRWDZBQOSA-N 0 0 327.428 2.987 10 10 EFCERN COc1ccc(N2CCN(CCNC(=O)/C=C\C(C)(C)C)CC2)cc1 ZINC000735038962 1267185554 /nfs/dbraw/zinc/18/55/54/1267185554.db2.gz GNEIKBLWYHMMSL-KTKRTIGZSA-N 0 0 345.487 2.536 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000824795078 1278312760 /nfs/dbraw/zinc/31/27/60/1278312760.db2.gz OQPJCCKZOWYPNE-UHFFFAOYSA-N 0 0 332.759 2.810 10 10 EFCERN COCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000735519760 1267338054 /nfs/dbraw/zinc/33/80/54/1267338054.db2.gz UHPRNSMTMGGOMX-OAHLLOKOSA-N 0 0 345.395 2.953 10 10 EFCERN C[C@](O)(C(=O)NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000735856687 1267443009 /nfs/dbraw/zinc/44/30/09/1267443009.db2.gz YDCGPNQQPQXKQH-MRXNPFEDSA-N 0 0 339.313 2.935 10 10 EFCERN Cc1cc(CCNS(=O)(=O)N(C)C2CC2)c(C)n1-c1ccccc1 ZINC000736324902 1267578265 /nfs/dbraw/zinc/57/82/65/1267578265.db2.gz JPLZGLIHARDPGE-UHFFFAOYSA-N 0 0 347.484 2.565 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(O)CCCC(C)(C)C1 ZINC001136972778 1278378284 /nfs/dbraw/zinc/37/82/84/1278378284.db2.gz ZGESPVXANHMYAO-IBGZPJMESA-N 0 0 332.444 2.809 10 10 EFCERN COc1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825117597 1278417356 /nfs/dbraw/zinc/41/73/56/1278417356.db2.gz HXQAOXJTEYCHJN-LBPRGKRZSA-N 0 0 332.366 2.717 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2(O)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000740227328 1268868253 /nfs/dbraw/zinc/86/82/53/1268868253.db2.gz QTRXJLGNSRAJKY-UHFFFAOYSA-N 0 0 345.370 2.874 10 10 EFCERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 ZINC000825202168 1278461251 /nfs/dbraw/zinc/46/12/51/1278461251.db2.gz PNCBVIHWJSNTRX-QZTJIDSGSA-N 0 0 336.501 2.684 10 10 EFCERN CN(c1ccc(CNC(=O)Cn2ccnc2)cc1)C1CCCCC1 ZINC000742247711 1269956530 /nfs/dbraw/zinc/95/65/30/1269956530.db2.gz UYKRBYLGIBWLDB-UHFFFAOYSA-N 0 0 326.444 2.968 10 10 EFCERN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000742391764 1270019422 /nfs/dbraw/zinc/01/94/22/1270019422.db2.gz MEPBVMWEZDPDSZ-XTWCZFFVSA-N 0 0 329.227 2.798 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000843831442 1270111427 /nfs/dbraw/zinc/11/14/27/1270111427.db2.gz PXYFAELABFNNCO-OLZOCXBDSA-N 0 0 331.416 2.988 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(F)(F)F)nn1C ZINC000825520257 1278582465 /nfs/dbraw/zinc/58/24/65/1278582465.db2.gz YLQNDGCUXMBMSQ-UHFFFAOYSA-N 0 0 340.349 2.904 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCn3cnnc3[C@H]2C)c1 ZINC000792190498 1278630867 /nfs/dbraw/zinc/63/08/67/1278630867.db2.gz WSIQBFAQZZYUGU-SNVBAGLBSA-N 0 0 337.221 2.631 10 10 EFCERN COc1cccc(O)c1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000792188336 1278628305 /nfs/dbraw/zinc/62/83/05/1278628305.db2.gz OBIXZYMZYYHPEF-MRXNPFEDSA-N 0 0 329.396 2.681 10 10 EFCERN O=C(c1cccs1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789069 1271768197 /nfs/dbraw/zinc/76/81/97/1271768197.db2.gz KWGOSCWTCLNCCH-UHFFFAOYSA-N 0 0 344.436 2.620 10 10 EFCERN Cc1cc(CCNC(=O)[C@H]2CSC(=O)N2)c(C)n1-c1ccccc1 ZINC000746106722 1271787148 /nfs/dbraw/zinc/78/71/48/1271787148.db2.gz XIIVVAJMLBQAFJ-MRXNPFEDSA-N 0 0 343.452 2.578 10 10 EFCERN CC(C)CNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001143772845 1278754404 /nfs/dbraw/zinc/75/44/04/1278754404.db2.gz UUPICLZMSYTWQO-UHFFFAOYSA-N 0 0 342.395 2.665 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CN(C)C(=O)[C@H]1C ZINC000844103962 1278755784 /nfs/dbraw/zinc/75/57/84/1278755784.db2.gz TXBGDTRARVYWDL-OAHLLOKOSA-N 0 0 325.412 2.663 10 10 EFCERN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000844125943 1278760121 /nfs/dbraw/zinc/76/01/21/1278760121.db2.gz NQUMVNLSUBNWLK-NWDGAFQWSA-N 0 0 335.400 2.646 10 10 EFCERN C[N@@H+]1CCC[C@@]2(CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000844210733 1278812964 /nfs/dbraw/zinc/81/29/64/1278812964.db2.gz GHMWDYREJUNRJF-WLPBJKJWSA-N 0 0 345.399 2.615 10 10 EFCERN C[C@@H](NCc1cc2n(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000844313864 1278859968 /nfs/dbraw/zinc/85/99/68/1278859968.db2.gz WYKOTSIZFFOHLX-OAHLLOKOSA-N 0 0 326.444 2.517 10 10 EFCERN C[C@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000785495949 1275099870 /nfs/dbraw/zinc/09/98/70/1275099870.db2.gz SMEZKINUPFVKQH-DYVFJYSZSA-N 0 0 339.457 2.644 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)OCCC3(O)CC3)ccc21 ZINC000785672260 1275154771 /nfs/dbraw/zinc/15/47/71/1275154771.db2.gz DUSSLXWLSLOMRI-UHFFFAOYSA-N 0 0 331.412 2.976 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000804175619 1275244951 /nfs/dbraw/zinc/24/49/51/1275244951.db2.gz YXZANOOLKPSBCP-CZUORRHYSA-N 0 0 347.459 2.939 10 10 EFCERN C[C@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000787064129 1275631040 /nfs/dbraw/zinc/63/10/40/1275631040.db2.gz JXZOEYGIZVMWDN-VIBAHUMZSA-N 0 0 329.444 2.682 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000787160674 1275695424 /nfs/dbraw/zinc/69/54/24/1275695424.db2.gz YPTSFDXCJAVXSP-BCDXTJNWSA-N 0 0 329.444 2.762 10 10 EFCERN CCN1CCCN(Cc2cc(C)cc(Br)c2O)CC1=O ZINC000787416385 1275769754 /nfs/dbraw/zinc/76/97/54/1275769754.db2.gz DPPXCRSJTMFYES-UHFFFAOYSA-N 0 0 341.249 2.517 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000787409082 1275778154 /nfs/dbraw/zinc/77/81/54/1275778154.db2.gz ZVLSVCVZSDBKEG-PIIMJCKOSA-N 0 0 329.444 2.715 10 10 EFCERN Cn1c(=O)ccc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21 ZINC000787622822 1275825299 /nfs/dbraw/zinc/82/52/99/1275825299.db2.gz OLSBMVUFIVJYMT-BAQGIRSFSA-N 0 0 336.347 2.602 10 10 EFCERN C[C@@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000788079222 1276031530 /nfs/dbraw/zinc/03/15/30/1276031530.db2.gz WBCHJZCYTPSBBK-CQSZACIVSA-N 0 0 347.484 2.858 10 10 EFCERN COC(=O)c1cnccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000788121835 1276042536 /nfs/dbraw/zinc/04/25/36/1276042536.db2.gz HKNWMCJYACVRAJ-UHFFFAOYSA-N 0 0 349.390 2.950 10 10 EFCERN Cc1cc(C(=O)Cn2nnc(C3CC3)n2)c(C)n1-c1ccc(F)cc1 ZINC000788507421 1276204176 /nfs/dbraw/zinc/20/41/76/1276204176.db2.gz MGGVLPJXCFJRFM-UHFFFAOYSA-N 0 0 339.374 2.980 10 10 EFCERN C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(F)ccc1O ZINC000788611885 1276235569 /nfs/dbraw/zinc/23/55/69/1276235569.db2.gz ZMKROKBWJFDVOR-LBPRGKRZSA-N 0 0 343.402 2.548 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](O)CC12CCC2 ZINC000817777425 1276297227 /nfs/dbraw/zinc/29/72/27/1276297227.db2.gz IYRYCNSJMDGNTR-KRWDZBQOSA-N 0 0 331.460 2.650 10 10 EFCERN CC[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCO1 ZINC000817776477 1276297289 /nfs/dbraw/zinc/29/72/89/1276297289.db2.gz KDFYUAWVGNAZPU-NEPJUHHUSA-N 0 0 329.491 2.882 10 10 EFCERN COc1cccc(CNC(=O)NC[C@@H]2CC23CCSCC3)c1O ZINC000817784936 1276327093 /nfs/dbraw/zinc/32/70/93/1276327093.db2.gz FRRITIWFDDBCKG-ZDUSSCGKSA-N 0 0 336.457 2.733 10 10 EFCERN CCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000817832989 1276333364 /nfs/dbraw/zinc/33/33/64/1276333364.db2.gz IRNTXHBRORSQIX-CQSZACIVSA-N 0 0 345.487 2.967 10 10 EFCERN CO[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@H]1C ZINC000817996992 1276406460 /nfs/dbraw/zinc/40/64/60/1276406460.db2.gz IGKPKFKNOGKIRF-WBMJQRKESA-N 0 0 345.468 2.813 10 10 EFCERN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969704 1276411931 /nfs/dbraw/zinc/41/19/31/1276411931.db2.gz YFOFFGCUZGKGNC-VYUIOLGVSA-N 0 0 331.229 2.942 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818330152 1276507787 /nfs/dbraw/zinc/50/77/87/1276507787.db2.gz OMTYACCXJBAAMC-LKFCYVNXSA-N 0 0 325.792 2.933 10 10 EFCERN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818362591 1276520390 /nfs/dbraw/zinc/52/03/90/1276520390.db2.gz XUJICUXFHQTDMH-WDEREUQCSA-N 0 0 345.226 2.887 10 10 EFCERN CCCN(CCC)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163516 1276649547 /nfs/dbraw/zinc/64/95/47/1276649547.db2.gz KKMPCUJEJPTHMY-GOSISDBHSA-N 0 0 344.459 2.962 10 10 EFCERN COc1cc(C)cc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819167623 1276651828 /nfs/dbraw/zinc/65/18/28/1276651828.db2.gz GBSTULZWMMNOCJ-UHFFFAOYSA-N 0 0 340.379 2.674 10 10 EFCERN COc1nn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000789317254 1276652908 /nfs/dbraw/zinc/65/29/08/1276652908.db2.gz IKUCIVKNYDMBJC-UHFFFAOYSA-N 0 0 343.431 2.691 10 10 EFCERN COc1ccc(N2CCC(NC(=O)/C=C\[C@@H]3CCCO3)CC2)cc1 ZINC000819218798 1276693742 /nfs/dbraw/zinc/69/37/42/1276693742.db2.gz KJKLRRMOZBWAGQ-GIFJBRJJSA-N 0 0 330.428 2.515 10 10 EFCERN Cc1cc(C)n([C@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000746813978 1276734564 /nfs/dbraw/zinc/73/45/64/1276734564.db2.gz BIUXBRICEDOHMD-OAHLLOKOSA-N 0 0 326.444 2.760 10 10 EFCERN CCOc1ccccc1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000819392676 1276746530 /nfs/dbraw/zinc/74/65/30/1276746530.db2.gz QIKPUWQFXFKLQF-ZDUSSCGKSA-N 0 0 331.368 2.666 10 10 EFCERN O=C(/C=C/C1CC1)NCc1cc(NC(=O)/C=C\C2CC2)ccc1O ZINC000923121292 1276827960 /nfs/dbraw/zinc/82/79/60/1276827960.db2.gz XWQIMOLIGREQAN-POQLCMLLSA-N 0 0 326.396 2.879 10 10 EFCERN COCC(C)(C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819587285 1276829568 /nfs/dbraw/zinc/82/95/68/1276829568.db2.gz LDFMYSGFIQPFPQ-HNNXBMFYSA-N 0 0 334.460 2.700 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C3CCOCC3)C2)cc1 ZINC000819587170 1276830398 /nfs/dbraw/zinc/83/03/98/1276830398.db2.gz XFJYJOLOEILICV-JKSUJKDBSA-N 0 0 346.471 2.700 10 10 EFCERN C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@H]1C(=O)OC(C)(C)C ZINC000819680689 1276875287 /nfs/dbraw/zinc/87/52/87/1276875287.db2.gz GILHWJUVYNPZPG-BXUZGUMPSA-N 0 0 335.400 2.680 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1sccc1F ZINC000819698474 1276877374 /nfs/dbraw/zinc/87/73/74/1276877374.db2.gz MCGCUMISYJZMFC-UHFFFAOYSA-N 0 0 337.372 2.798 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc[nH]c1C1CC1 ZINC000819697903 1276877488 /nfs/dbraw/zinc/87/74/88/1276877488.db2.gz DZNLACOWERMAPA-UHFFFAOYSA-N 0 0 342.395 2.803 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](CC)CC(F)F ZINC000819699970 1276879360 /nfs/dbraw/zinc/87/93/60/1276879360.db2.gz OVJHHUUGWKUZOY-LBPRGKRZSA-N 0 0 343.370 2.965 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000819755371 1276911745 /nfs/dbraw/zinc/91/17/45/1276911745.db2.gz GLBWUDROQCWNSS-UHFFFAOYSA-N 0 0 347.411 2.510 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(NC(=O)OC)c1 ZINC000819755440 1276911882 /nfs/dbraw/zinc/91/18/82/1276911882.db2.gz HYLOLPTVUQKIOX-UHFFFAOYSA-N 0 0 349.383 2.986 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000819973780 1276957357 /nfs/dbraw/zinc/95/73/57/1276957357.db2.gz DARBKKGCQRJDGZ-QXAKKESOSA-N 0 0 328.456 2.918 10 10 EFCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000819974777 1276957634 /nfs/dbraw/zinc/95/76/34/1276957634.db2.gz RQZIQVCFXAKQKL-LPHOPBHVSA-N 0 0 346.471 2.687 10 10 EFCERN COCc1nnc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819936701 1276960002 /nfs/dbraw/zinc/96/00/02/1276960002.db2.gz VMXXTXUPSGKLDA-GFCCVEGCSA-N 0 0 334.445 2.632 10 10 EFCERN CCOCCOCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136291821 1276970542 /nfs/dbraw/zinc/97/05/42/1276970542.db2.gz OHHPZFNKYVJWFJ-UHFFFAOYSA-N 0 0 345.395 2.832 10 10 EFCERN COc1ccc(OC)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789944696 1277108136 /nfs/dbraw/zinc/10/81/36/1277108136.db2.gz WQZJTTUVVSHWCD-SECBINFHSA-N 0 0 335.331 2.745 10 10 EFCERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1c(F)ccc(O)c1O ZINC000789977669 1277139111 /nfs/dbraw/zinc/13/91/11/1277139111.db2.gz XBDRRTRGPGLFPW-UHFFFAOYSA-N 0 0 332.306 2.830 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C3(CC(C)=O)CCC3)CC2)cc1 ZINC001136336601 1277152355 /nfs/dbraw/zinc/15/23/55/1277152355.db2.gz XXKHZTMJRMIAIX-UHFFFAOYSA-N 0 0 344.455 2.883 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cc(-c4ccoc4)n[nH]3)ccc21 ZINC000746879690 1277245337 /nfs/dbraw/zinc/24/53/37/1277245337.db2.gz CBCXSOWLFQKUHD-UHFFFAOYSA-N 0 0 336.395 2.982 10 10 EFCERN O=C(NCCc1ccccc1Br)c1cccc(O)c1O ZINC000790221683 1277363134 /nfs/dbraw/zinc/36/31/34/1277363134.db2.gz WYJNNLWGHYQSKV-UHFFFAOYSA-N 0 0 336.185 2.833 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)C(F)=C2CCC2)cc1 ZINC000821376122 1277516834 /nfs/dbraw/zinc/51/68/34/1277516834.db2.gz PAGKDDLYMHIFIG-UHFFFAOYSA-N 0 0 334.391 2.662 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCc2ccccc2C1 ZINC000790465656 1277608094 /nfs/dbraw/zinc/60/80/94/1277608094.db2.gz GSGMEFABYANUNO-CYBMUJFWSA-N 0 0 326.396 2.797 10 10 EFCERN CSc1c(C(=O)NCCCSc2nccs2)cnn1C ZINC000790637829 1277693212 /nfs/dbraw/zinc/69/32/12/1277693212.db2.gz WGOOTXUDGZWTCC-UHFFFAOYSA-N 0 0 328.488 2.511 10 10 EFCERN O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001175039510 1287299943 /nfs/dbraw/zinc/29/99/43/1287299943.db2.gz ZCFVJNVTDAMTFD-OAHLLOKOSA-N 0 0 337.297 2.987 10 10 EFCERN O=C(NCc1ccn(Cc2ccccc2)n1)NCc1ccccc1O ZINC000790936628 1277856193 /nfs/dbraw/zinc/85/61/93/1277856193.db2.gz RWCWWXGBVCAWPF-UHFFFAOYSA-N 0 0 336.395 2.636 10 10 EFCERN C[C@@H](NC(=O)C(F)(F)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000790905598 1277861025 /nfs/dbraw/zinc/86/10/25/1277861025.db2.gz CWWLCRSBYBSEPD-GFCCVEGCSA-N 0 0 326.387 2.992 10 10 EFCERN COc1ncc(/C=C\C(=O)N(CC(C)C)c2ccc(F)cn2)cn1 ZINC000844642540 1279163086 /nfs/dbraw/zinc/16/30/86/1279163086.db2.gz XQJVFCBEOXWIGM-DAXSKMNVSA-N 0 0 330.363 2.722 10 10 EFCERN CCc1ncnc(CC)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000815151467 1287330736 /nfs/dbraw/zinc/33/07/36/1287330736.db2.gz PKADCYKCGXBUJH-UHFFFAOYSA-N 0 0 338.455 2.914 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)c(O)c1 ZINC000792900516 1279254315 /nfs/dbraw/zinc/25/43/15/1279254315.db2.gz SGQKQTIDSDAZMI-MRXNPFEDSA-N 0 0 342.395 2.951 10 10 EFCERN COCc1ccnc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000844837731 1279264866 /nfs/dbraw/zinc/26/48/66/1279264866.db2.gz LIDPAYBNCGBZBM-UHFFFAOYSA-N 0 0 328.416 2.924 10 10 EFCERN CCc1cnccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844857223 1279287967 /nfs/dbraw/zinc/28/79/67/1279287967.db2.gz YAACRTUTULXLIH-UHFFFAOYSA-N 0 0 327.428 2.861 10 10 EFCERN COCC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000844901414 1279324252 /nfs/dbraw/zinc/32/42/52/1279324252.db2.gz VBLZCNKYODDLNC-UHFFFAOYSA-N 0 0 333.259 2.899 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000844973784 1279368936 /nfs/dbraw/zinc/36/89/36/1279368936.db2.gz LRHGBPXWYQULNB-GJZGRUSLSA-N 0 0 330.787 2.905 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCOC1 ZINC000845003134 1279381122 /nfs/dbraw/zinc/38/11/22/1279381122.db2.gz RJNSTWSEKLZDST-GOSISDBHSA-N 0 0 329.444 2.773 10 10 EFCERN O=C(/C=C\c1cncc(F)c1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001144338780 1279453022 /nfs/dbraw/zinc/45/30/22/1279453022.db2.gz SATODLVOXHPBIU-ZFDPJTLLSA-N 0 0 330.334 2.571 10 10 EFCERN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000793364310 1279577781 /nfs/dbraw/zinc/57/77/81/1279577781.db2.gz DWMBNWWNTZUDCH-UHFFFAOYSA-N 0 0 340.763 2.850 10 10 EFCERN COc1ccc(CNCc2cnn(-c3cc(C)cc(C)c3)n2)c(O)c1 ZINC000793386509 1279614281 /nfs/dbraw/zinc/61/42/81/1279614281.db2.gz UQPGVXOEOWPDHB-UHFFFAOYSA-N 0 0 338.411 2.888 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000845426095 1279618382 /nfs/dbraw/zinc/61/83/82/1279618382.db2.gz NMCVFYKTEXIWEI-SGTLLEGYSA-N 0 0 348.443 2.966 10 10 EFCERN CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000845671047 1279780082 /nfs/dbraw/zinc/78/00/82/1279780082.db2.gz YWOJRGNTKLTWCB-LEJCZOIISA-N 0 0 334.372 2.786 10 10 EFCERN CN(C)c1ccc(/C=C/CN2CCn3c(CC4CC4)nnc3C2)cc1 ZINC000846012889 1279976656 /nfs/dbraw/zinc/97/66/56/1279976656.db2.gz BRFIVTSOCJXMLA-ONEGZZNKSA-N 0 0 337.471 2.826 10 10 EFCERN CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2c2ccnn2C)cc1 ZINC000846114574 1280023305 /nfs/dbraw/zinc/02/33/05/1280023305.db2.gz DUGVHEAEAZATGP-VZSQWMKGSA-N 0 0 326.444 2.573 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000846147418 1280037015 /nfs/dbraw/zinc/03/70/15/1280037015.db2.gz UXFPHRPJLMKMAZ-KRWDZBQOSA-N 0 0 338.455 2.897 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CNc3ccccc3C2)cc1F ZINC000846142178 1280051339 /nfs/dbraw/zinc/05/13/39/1280051339.db2.gz CZFDKDHBTITMPK-HNNXBMFYSA-N 0 0 342.418 2.728 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000815259742 1287396163 /nfs/dbraw/zinc/39/61/63/1287396163.db2.gz YZGGRWMHCSGNSK-OALUTQOASA-N 0 0 346.471 2.985 10 10 EFCERN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846253846 1280088061 /nfs/dbraw/zinc/08/80/61/1280088061.db2.gz HCHRPYSRIIJRMZ-SMDDNHRTSA-N 0 0 332.404 2.534 10 10 EFCERN Cc1cc(C(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1ccccc1C ZINC000846439871 1280153588 /nfs/dbraw/zinc/15/35/88/1280153588.db2.gz AWLQYOOPYNXDIN-HXUWFJFHSA-N 0 0 342.439 2.674 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000794372429 1280157601 /nfs/dbraw/zinc/15/76/01/1280157601.db2.gz PHFREZRJAZMFMJ-LLVKDONJSA-N 0 0 342.399 2.593 10 10 EFCERN COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000794373377 1280158699 /nfs/dbraw/zinc/15/86/99/1280158699.db2.gz JEMMQNQTTDTBJI-UHFFFAOYSA-N 0 0 341.323 2.720 10 10 EFCERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794378372 1280161837 /nfs/dbraw/zinc/16/18/37/1280161837.db2.gz FQVOKOUCVBOSGP-DLBZAZTESA-N 0 0 327.380 2.829 10 10 EFCERN COc1ccc(CNC(=O)CCC(=O)c2ccc(F)c(F)c2)c(O)c1 ZINC000794387118 1280164792 /nfs/dbraw/zinc/16/47/92/1280164792.db2.gz DMIVTUHEVRWBAW-UHFFFAOYSA-N 0 0 349.333 2.958 10 10 EFCERN COc1ccc(N2CCN([C@H](C)c3cnc(C)cn3)CC2)cc1F ZINC000794397876 1280171709 /nfs/dbraw/zinc/17/17/09/1280171709.db2.gz HKKQHZQHYTYRND-CQSZACIVSA-N 0 0 330.407 2.816 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)CCC(C)=O)cc1 ZINC000846441631 1280180243 /nfs/dbraw/zinc/18/02/43/1280180243.db2.gz BEZDSZXTAKFKBU-UHFFFAOYSA-N 0 0 334.460 2.985 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC1CCSCC1 ZINC000805138467 1280453830 /nfs/dbraw/zinc/45/38/30/1280453830.db2.gz VUZCOGDFISKOMZ-UHFFFAOYSA-N 0 0 345.262 2.850 10 10 EFCERN CO[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805190030 1280475934 /nfs/dbraw/zinc/47/59/34/1280475934.db2.gz GNHIFROVDQLBBB-ZDUSSCGKSA-N 0 0 345.237 2.625 10 10 EFCERN CS[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805226076 1280480438 /nfs/dbraw/zinc/48/04/38/1280480438.db2.gz QWSQXOSRLIWLMS-MRVPVSSYSA-N 0 0 333.251 2.705 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000846785571 1280485157 /nfs/dbraw/zinc/48/51/57/1280485157.db2.gz HTEGHAVEWKFJLY-AEFFLSMTSA-N 0 0 344.411 2.504 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC1CC(F)(F)C1 ZINC000805360470 1280537041 /nfs/dbraw/zinc/53/70/41/1280537041.db2.gz HHTDZKWRDQRPNE-UHFFFAOYSA-N 0 0 335.148 2.752 10 10 EFCERN CC1(C)SC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805468628 1280577859 /nfs/dbraw/zinc/57/78/59/1280577859.db2.gz SHVPUJPECAHVJD-NSHDSACASA-N 0 0 345.262 2.848 10 10 EFCERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C(C)=C/c2cccnc2)C1 ZINC000846929926 1280624423 /nfs/dbraw/zinc/62/44/23/1280624423.db2.gz NHWCYVCYHSBVAA-MDNBWPLSSA-N 0 0 335.407 2.579 10 10 EFCERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C(C)=C/c2cccnc2)C1 ZINC000846929929 1280624446 /nfs/dbraw/zinc/62/44/46/1280624446.db2.gz NHWCYVCYHSBVAA-PMXLPMHFSA-N 0 0 335.407 2.579 10 10 EFCERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C(C)=C\c2cccnc2)C1 ZINC000846929924 1280624888 /nfs/dbraw/zinc/62/48/88/1280624888.db2.gz NHWCYVCYHSBVAA-BLSFAOBESA-N 0 0 335.407 2.579 10 10 EFCERN COC(=O)[C@H](C)N(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000846987975 1280676713 /nfs/dbraw/zinc/67/67/13/1280676713.db2.gz NQUCLFXQBMEYBI-HNNXBMFYSA-N 0 0 328.412 2.657 10 10 EFCERN Cc1cc(CC(=O)NCCCc2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000847024601 1280708374 /nfs/dbraw/zinc/70/83/74/1280708374.db2.gz BYYFLUZGAOANBG-UHFFFAOYSA-N 0 0 337.427 2.504 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2ncc[nH]2)ccc1C ZINC001146805616 1281052236 /nfs/dbraw/zinc/05/22/36/1281052236.db2.gz DRIFGAJCQMHNPO-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN C[C@H](COc1c(F)cccc1F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001146910933 1281067097 /nfs/dbraw/zinc/06/70/97/1281067097.db2.gz QWRHDJSHXAFUAT-BPOWMSRESA-N 0 0 349.333 2.973 10 10 EFCERN COc1ncc(/C=C/C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC001130663701 1281080373 /nfs/dbraw/zinc/08/03/73/1281080373.db2.gz PSHVDBJMLJMFGQ-QPJJXVBHSA-N 0 0 327.359 2.962 10 10 EFCERN CN(C)c1ccc(/C=C\c2cc(=O)n3[nH]cnc3n2)c(C(F)(F)F)c1 ZINC000806571421 1281097835 /nfs/dbraw/zinc/09/78/35/1281097835.db2.gz VEIDTYUJMQERKQ-HYXAFXHYSA-N 0 0 349.316 2.673 10 10 EFCERN CN(C)c1ccc(/C=C/c2cc(=O)n3[nH]cnc3n2)c(C(F)(F)F)c1 ZINC000806571420 1281098698 /nfs/dbraw/zinc/09/86/98/1281098698.db2.gz VEIDTYUJMQERKQ-HWKANZROSA-N 0 0 349.316 2.673 10 10 EFCERN CC(C)(C)c1cnc(SC[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000806591373 1281111996 /nfs/dbraw/zinc/11/19/96/1281111996.db2.gz ZBWINTDXFMYACY-JTQLQIEISA-N 0 0 334.532 2.814 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCCC[C@@H]1CCO ZINC000806846530 1281155929 /nfs/dbraw/zinc/15/59/29/1281155929.db2.gz RUDIZNYBGKXXGU-LJQANCHMSA-N 0 0 343.471 2.899 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCC[C@H]1CCO ZINC000806820733 1281158768 /nfs/dbraw/zinc/15/87/68/1281158768.db2.gz GOFACTNRONLRBM-KRWDZBQOSA-N 0 0 333.476 2.898 10 10 EFCERN C[C@@H](NC(=O)N1CCOC[C@H]1CC(F)F)c1ccc(N(C)C)cc1 ZINC000807141794 1281225124 /nfs/dbraw/zinc/22/51/24/1281225124.db2.gz VWSQZISRLPTVLJ-IUODEOHRSA-N 0 0 341.402 2.879 10 10 EFCERN Cc1onc(-c2cccnc2)c1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001130974257 1281339010 /nfs/dbraw/zinc/33/90/10/1281339010.db2.gz ZBWZVLZTJAINGC-UHFFFAOYSA-N 0 0 336.351 2.739 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1c(C)nc2ccccc21 ZINC000808094750 1281534025 /nfs/dbraw/zinc/53/40/25/1281534025.db2.gz CQSSYLRKUAPKJZ-UHFFFAOYSA-N 0 0 344.411 2.852 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(OC)OC)c2C)cc1 ZINC000808153590 1281565124 /nfs/dbraw/zinc/56/51/24/1281565124.db2.gz DIDHAGQWTKIEIT-CYBMUJFWSA-N 0 0 346.427 2.840 10 10 EFCERN Cc1c(NCc2ccccc2O)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808446723 1281714717 /nfs/dbraw/zinc/71/47/17/1281714717.db2.gz KXKPJIMVCDAMFE-LBPRGKRZSA-N 0 0 325.368 2.757 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C ZINC000808501146 1281740699 /nfs/dbraw/zinc/74/06/99/1281740699.db2.gz IIQZSUZIKKXTSU-UHFFFAOYSA-N 0 0 348.786 2.964 10 10 EFCERN CC(=O)C(=O)COC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000808501904 1281742089 /nfs/dbraw/zinc/74/20/89/1281742089.db2.gz XWKHQZLRQGXXQY-UHFFFAOYSA-N 0 0 345.298 2.938 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000808502541 1281743212 /nfs/dbraw/zinc/74/32/12/1281743212.db2.gz LPTPBESMGQUUBG-UHFFFAOYSA-N 0 0 339.347 2.562 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2cc(Br)ccc2o1 ZINC000808502984 1281743623 /nfs/dbraw/zinc/74/36/23/1281743623.db2.gz BLKTYOFKGPPHCB-UHFFFAOYSA-N 0 0 325.114 2.510 10 10 EFCERN CC(=O)C(=O)COC(=O)CCSc1ccc(Br)cc1 ZINC000808507817 1281745639 /nfs/dbraw/zinc/74/56/39/1281745639.db2.gz IGTBNJAUYFKPKJ-UHFFFAOYSA-N 0 0 345.214 2.633 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc2cc(Br)ccc2c1 ZINC000808529711 1281755345 /nfs/dbraw/zinc/75/53/45/1281755345.db2.gz QCQHIEKFXQAPCM-UHFFFAOYSA-N 0 0 335.153 2.917 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000808500179 1281756188 /nfs/dbraw/zinc/75/61/88/1281756188.db2.gz HCLADYLTKZPLTN-UHFFFAOYSA-N 0 0 348.786 2.964 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccccc1SCc1cscn1 ZINC000808499802 1281756428 /nfs/dbraw/zinc/75/64/28/1281756428.db2.gz NJNFSRDAZAWYQG-UHFFFAOYSA-N 0 0 335.406 2.750 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000808532696 1281764930 /nfs/dbraw/zinc/76/49/30/1281764930.db2.gz HWWNHDCKLMMZRS-UHFFFAOYSA-N 0 0 339.141 2.819 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000808540590 1281768803 /nfs/dbraw/zinc/76/88/03/1281768803.db2.gz DLWBPLKBBQHMRH-UHFFFAOYSA-N 0 0 348.786 2.964 10 10 EFCERN COC(=O)c1cc(NC(=O)NCc2ccccc2O)cc2[nH]ccc21 ZINC000808872036 1281965158 /nfs/dbraw/zinc/96/51/58/1281965158.db2.gz FDCVYCUIWHHXLT-UHFFFAOYSA-N 0 0 339.351 2.982 10 10 EFCERN OCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ncc1F ZINC000809348570 1282165642 /nfs/dbraw/zinc/16/56/42/1282165642.db2.gz CGXKBENEOIMVPJ-UHFFFAOYSA-N 0 0 345.418 2.534 10 10 EFCERN Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000809663062 1282391340 /nfs/dbraw/zinc/39/13/40/1282391340.db2.gz JTFJNSMFQDVYMJ-SNVBAGLBSA-N 0 0 336.798 2.937 10 10 EFCERN COC(=O)c1occc1CNCc1cc(Br)ccc1O ZINC000809712792 1282422641 /nfs/dbraw/zinc/42/26/41/1282422641.db2.gz UUTOMRLDVOKKQB-UHFFFAOYSA-N 0 0 340.173 2.824 10 10 EFCERN COC(=O)[C@@H](CF)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809775921 1282435304 /nfs/dbraw/zinc/43/53/04/1282435304.db2.gz YCACFIZHEDHZRD-GOSISDBHSA-N 0 0 342.414 2.850 10 10 EFCERN CCOC(=O)c1c(C)onc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000809971845 1282665297 /nfs/dbraw/zinc/66/52/97/1282665297.db2.gz MFFQUZKDUYNPNR-JTQLQIEISA-N 0 0 334.372 2.725 10 10 EFCERN Cc1c(C(=O)NCCCSc2nccs2)nnn1C(C)C ZINC000815591025 1287618035 /nfs/dbraw/zinc/61/80/35/1287618035.db2.gz STMUOJIFFUBYGN-UHFFFAOYSA-N 0 0 325.463 2.536 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)c2ccccn2)cc1 ZINC000747640655 1283723030 /nfs/dbraw/zinc/72/30/30/1283723030.db2.gz NEDSKAFRLGNNBZ-LJQANCHMSA-N 0 0 335.407 2.953 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)c2ccccn2)cc1 ZINC000747640654 1283723100 /nfs/dbraw/zinc/72/31/00/1283723100.db2.gz NEDSKAFRLGNNBZ-IBGZPJMESA-N 0 0 335.407 2.953 10 10 EFCERN C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]2C[C@H]2C1 ZINC000815729742 1287726402 /nfs/dbraw/zinc/72/64/02/1287726402.db2.gz HUNULLLMUMQDDO-QVDMIQRCSA-N 0 0 346.446 2.839 10 10 EFCERN O=C(c1cccnc1NCCc1ccc(O)c(O)c1)N1CCCCC1 ZINC000811810788 1284641602 /nfs/dbraw/zinc/64/16/02/1284641602.db2.gz CDRDHIGJIZMOGN-UHFFFAOYSA-N 0 0 341.411 2.774 10 10 EFCERN COc1cnc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1 ZINC000811837348 1284667704 /nfs/dbraw/zinc/66/77/04/1284667704.db2.gz IKCOVQIGVDAXAU-UHFFFAOYSA-N 0 0 343.387 2.996 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1nccs1 ZINC000811932663 1284757387 /nfs/dbraw/zinc/75/73/87/1284757387.db2.gz CTGJJJHVMUPHOQ-UHFFFAOYSA-N 0 0 332.473 2.950 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2nccs2)c1 ZINC000811932945 1284758926 /nfs/dbraw/zinc/75/89/26/1284758926.db2.gz SZHQTRRXNOXSQM-LLVKDONJSA-N 0 0 335.429 2.850 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000812512257 1285205321 /nfs/dbraw/zinc/20/53/21/1285205321.db2.gz SPHUBJWNIJPTAA-OAHLLOKOSA-N 0 0 343.393 2.704 10 10 EFCERN Cc1cccc([C@H](CC(=O)N[C@H](C)c2ccccc2O)NC(N)=O)c1 ZINC001171717076 1285738827 /nfs/dbraw/zinc/73/88/27/1285738827.db2.gz IKUMLTPJWGPXDB-CJNGLKHVSA-N 0 0 341.411 2.678 10 10 EFCERN CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000822553611 1289029917 /nfs/dbraw/zinc/02/99/17/1289029917.db2.gz LHFWTTHEXIDRFY-NVXWUHKLSA-N 0 0 334.485 2.671 10 10 EFCERN O=C(C[C@H](O)Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000813410666 1285893822 /nfs/dbraw/zinc/89/38/22/1285893822.db2.gz VXEPPYMESURLMO-HXUWFJFHSA-N 0 0 338.451 2.897 10 10 EFCERN C[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000813424301 1285920099 /nfs/dbraw/zinc/92/00/99/1285920099.db2.gz KVFWNPDLHGYQAN-CRAIPNDOSA-N 0 0 348.487 2.888 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1CC(=O)CC2 ZINC000813512943 1285957019 /nfs/dbraw/zinc/95/70/19/1285957019.db2.gz CIYPVJOKGYUHBS-LBPRGKRZSA-N 0 0 339.391 2.517 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000813886503 1286172361 /nfs/dbraw/zinc/17/23/61/1286172361.db2.gz FXHVTBQWNPXUJY-VURMDHGXSA-N 0 0 339.347 2.511 10 10 EFCERN COC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC001134145786 1286376544 /nfs/dbraw/zinc/37/65/44/1286376544.db2.gz PQPURYHOEUAWJR-XHPSBEMXSA-N 0 0 340.354 2.612 10 10 EFCERN C[C@@H](CF)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000814283936 1286476942 /nfs/dbraw/zinc/47/69/42/1286476942.db2.gz LOQJBWOGNDJEGR-RWMBFGLXSA-N 0 0 341.402 2.597 10 10 EFCERN C[C@@H](CF)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000814283930 1286477177 /nfs/dbraw/zinc/47/71/77/1286477177.db2.gz LOQJBWOGNDJEGR-AVGNSLFASA-N 0 0 341.402 2.597 10 10 EFCERN Cc1cc(=O)[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000814319532 1286499175 /nfs/dbraw/zinc/49/91/75/1286499175.db2.gz GKRBDEHMXSXHFI-UHFFFAOYSA-N 0 0 343.452 2.579 10 10 EFCERN C[C@@H](CF)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000814422127 1286601444 /nfs/dbraw/zinc/60/14/44/1286601444.db2.gz SEDDVDUDZXWKJU-NSHDSACASA-N 0 0 345.365 2.914 10 10 EFCERN Cc1cnccc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822720372 1289101479 /nfs/dbraw/zinc/10/14/79/1289101479.db2.gz CIKVYAQWZYYVMC-QPJJXVBHSA-N 0 0 337.423 2.556 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000822785863 1289103677 /nfs/dbraw/zinc/10/36/77/1289103677.db2.gz GAZVXCHIZJXGGD-NILFDRSVSA-N 0 0 342.361 2.899 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000822791413 1289105321 /nfs/dbraw/zinc/10/53/21/1289105321.db2.gz SKPJYYJXADYGEE-LLLHUVSDSA-N 0 0 329.444 2.682 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn2c(c1C)OCCC2 ZINC000822809241 1289118948 /nfs/dbraw/zinc/11/89/48/1289118948.db2.gz RNINWVVZUMFQBV-UHFFFAOYSA-N 0 0 342.443 2.702 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cncc(C)n1 ZINC000822835212 1289127523 /nfs/dbraw/zinc/12/75/23/1289127523.db2.gz IMWGMHRANFIDGF-UHFFFAOYSA-N 0 0 341.459 2.625 10 10 EFCERN CN1CCCc2cc([C@H]3NC(=O)[C@@H]4Cc5ccccc5CN43)ccc21 ZINC000871602160 1287168543 /nfs/dbraw/zinc/16/85/43/1287168543.db2.gz KZTSYJJTQUJQPI-PMACEKPBSA-N 0 0 333.435 2.624 10 10 EFCERN O=C(Cc1cscc1Br)NCc1ccc(O)c(O)c1 ZINC000815836270 1287851334 /nfs/dbraw/zinc/85/13/34/1287851334.db2.gz XCHXHLLRVGOFDR-UHFFFAOYSA-N 0 0 342.214 2.781 10 10 EFCERN COc1cccc2c1[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)CC2 ZINC000816029139 1287962074 /nfs/dbraw/zinc/96/20/74/1287962074.db2.gz WNZMTVZPKMADKE-SWLSCSKDSA-N 0 0 341.407 2.884 10 10 EFCERN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 ZINC000822898811 1289147383 /nfs/dbraw/zinc/14/73/83/1289147383.db2.gz SYRZICAHIVTYBA-FUHWJXTLSA-N 0 0 334.460 2.541 10 10 EFCERN O=C(CCOc1ccc(F)c(Cl)c1)NCc1cccc(O)c1O ZINC001176565289 1288041462 /nfs/dbraw/zinc/04/14/62/1288041462.db2.gz IZXBRHKQFNMLHX-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](OC)C3CCC3)CC2)cc1 ZINC000822919376 1289153685 /nfs/dbraw/zinc/15/36/85/1289153685.db2.gz JYFBLFZDIAPBTP-GOSISDBHSA-N 0 0 332.444 2.549 10 10 EFCERN CCOC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000822919546 1289153883 /nfs/dbraw/zinc/15/38/83/1289153883.db2.gz LAINNSRUXKJPKG-UHFFFAOYSA-N 0 0 332.444 2.693 10 10 EFCERN CC(C)(C)OC(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176748510 1288093756 /nfs/dbraw/zinc/09/37/56/1288093756.db2.gz UUPVPPLPOFSVSX-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(O)c(O)c1 ZINC001135627402 1288191148 /nfs/dbraw/zinc/19/11/48/1288191148.db2.gz RIBRSOZPZNNQAX-UHFFFAOYSA-N 0 0 328.393 2.909 10 10 EFCERN CO[C@@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000816654233 1288229802 /nfs/dbraw/zinc/22/98/02/1288229802.db2.gz YRPRVNQSHRMTBY-ZWNOBZJWSA-N 0 0 342.233 2.976 10 10 EFCERN COC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC001177021730 1288231329 /nfs/dbraw/zinc/23/13/29/1288231329.db2.gz FAVFEGFRBMAFLP-KRWDZBQOSA-N 0 0 331.412 2.718 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccn(C)n2)cc1 ZINC001135693384 1288271403 /nfs/dbraw/zinc/27/14/03/1288271403.db2.gz FLGAOTPJUNSLSE-UHFFFAOYSA-N 0 0 336.395 2.821 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1COCCOC1 ZINC000816921050 1288313655 /nfs/dbraw/zinc/31/36/55/1288313655.db2.gz KEPAXWMOGKSNEN-UHFFFAOYSA-N 0 0 328.412 2.548 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cc3ccncc3Cl)ccc21 ZINC000816910364 1288326366 /nfs/dbraw/zinc/32/63/66/1288326366.db2.gz DJXFRIJZXHALOU-UHFFFAOYSA-N 0 0 329.831 2.976 10 10 EFCERN CCn1c(Cc2ccccc2O)nnc1N(C)Cc1ccccc1O ZINC000828616164 1288414484 /nfs/dbraw/zinc/41/44/84/1288414484.db2.gz UQXVXDZIYSVCMX-UHFFFAOYSA-N 0 0 338.411 2.936 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817131771 1288432624 /nfs/dbraw/zinc/43/26/24/1288432624.db2.gz OZOQBVQVDIVDPD-KXQLTZBTSA-N 0 0 346.383 2.665 10 10 EFCERN C[C@@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc(N(C)C)cc1 ZINC000817166297 1288447684 /nfs/dbraw/zinc/44/76/84/1288447684.db2.gz XCACEACKZLFMMK-PBHICJAKSA-N 0 0 331.460 2.903 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000817201945 1288468413 /nfs/dbraw/zinc/46/84/13/1288468413.db2.gz NYPKPMSIVCMREE-BRWVUGGUSA-N 0 0 344.455 2.690 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817258551 1288496099 /nfs/dbraw/zinc/49/60/99/1288496099.db2.gz LUPXXXCGPXRFHK-UHFFFAOYSA-N 0 0 340.379 2.980 10 10 EFCERN COc1ccc(N2CCN(Cc3nn(C)cc3Cl)CC2)cc1F ZINC000817274244 1288519478 /nfs/dbraw/zinc/51/94/78/1288519478.db2.gz HLDITNSARKAUKG-UHFFFAOYSA-N 0 0 338.814 2.543 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2nn(C)c(C)c2Cl)cc1 ZINC000817409574 1288589311 /nfs/dbraw/zinc/58/93/11/1288589311.db2.gz CABNATOMUXUVSB-UHFFFAOYSA-N 0 0 337.807 2.570 10 10 EFCERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000817640914 1288696584 /nfs/dbraw/zinc/69/65/84/1288696584.db2.gz SQOLFPBQJSHHJK-MRXNPFEDSA-N 0 0 339.439 2.611 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000821806843 1288800939 /nfs/dbraw/zinc/80/09/39/1288800939.db2.gz IDBXAFTWMVEFHD-IACUBPJLSA-N 0 0 349.427 2.513 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)ncc3C)C2)cc1 ZINC000822281748 1288926077 /nfs/dbraw/zinc/92/60/77/1288926077.db2.gz SUENWUXPZBJKDW-HNNXBMFYSA-N 0 0 340.427 2.529 10 10 EFCERN O=C(COc1ccc(Cl)c(F)c1)NCc1c(O)cccc1O ZINC001178912681 1288979892 /nfs/dbraw/zinc/97/98/92/1288979892.db2.gz WNCSSBDXIFSSLU-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1O ZINC000822525442 1289008818 /nfs/dbraw/zinc/00/88/18/1289008818.db2.gz GTSMLKGLRUPYTP-QGZVFWFLSA-N 0 0 328.387 2.594 10 10 EFCERN CCOc1ccc(CNC(C)(C)c2nocc2C(=O)OC)c(O)c1 ZINC000822534728 1289013186 /nfs/dbraw/zinc/01/31/86/1289013186.db2.gz VHHLNZKMCXDAHP-UHFFFAOYSA-N 0 0 334.372 2.590 10 10 EFCERN CC[C@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823004403 1289182583 /nfs/dbraw/zinc/18/25/83/1289182583.db2.gz RECJZQIOZZPOJV-AWEZNQCLSA-N 0 0 342.386 2.534 10 10 EFCERN O=C(NCCCSc1nccs1)c1ccc2cnccc2n1 ZINC001136662045 1289185307 /nfs/dbraw/zinc/18/53/07/1289185307.db2.gz YTXDLJJIVDZSHQ-UHFFFAOYSA-N 0 0 330.438 2.999 10 10 EFCERN C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1F ZINC000823543108 1289330779 /nfs/dbraw/zinc/33/07/79/1289330779.db2.gz PNOSVURKNSEGMH-KSSFIOAISA-N 0 0 349.450 2.537 10 10 EFCERN Cc1cc(CC(=O)NCCNc2cnccn2)c(C)n1-c1ccccc1 ZINC000823520526 1289334572 /nfs/dbraw/zinc/33/45/72/1289334572.db2.gz XDHFKEWZNAWPSE-UHFFFAOYSA-N 0 0 349.438 2.655 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)C1CCCCC1 ZINC000823575814 1289337788 /nfs/dbraw/zinc/33/77/88/1289337788.db2.gz BUVQSQXNOLFMTF-SFHVURJKSA-N 0 0 335.444 2.699 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CSC3(C)C)C2)cc1 ZINC000823584350 1289338967 /nfs/dbraw/zinc/33/89/67/1289338967.db2.gz DZGJTWPKJONQKU-XJKSGUPXSA-N 0 0 349.500 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N3CCCSCC3)C2)cc1 ZINC000823718961 1289430370 /nfs/dbraw/zinc/43/03/70/1289430370.db2.gz GLRMYXVHCKKVBS-OAHLLOKOSA-N 0 0 349.500 2.670 10 10 EFCERN CO[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000823835398 1289464255 /nfs/dbraw/zinc/46/42/55/1289464255.db2.gz YVLGYYUKHDJCOV-KBXCAEBGSA-N 0 0 332.444 2.516 10 10 EFCERN CCc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)no1 ZINC000824199295 1289566497 /nfs/dbraw/zinc/56/64/97/1289566497.db2.gz OSDQOFRIRXWQNN-ZDUSSCGKSA-N 0 0 344.415 2.894 10 10 EFCERN O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824451402 1289654950 /nfs/dbraw/zinc/65/49/50/1289654950.db2.gz VITQBXSUMWKPOC-JTQLQIEISA-N 0 0 345.226 2.973 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1F ZINC000817544990 1289955472 /nfs/dbraw/zinc/95/54/72/1289955472.db2.gz RQXWRMSDSYNRRX-ZNMIVQPWSA-N 0 0 332.419 2.919 10 10 EFCERN COC(=O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001184750412 1290512278 /nfs/dbraw/zinc/51/22/78/1290512278.db2.gz KVFAZEQKUMVJLN-UHFFFAOYSA-N 0 0 328.324 2.801 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(N2CCOCC2)cc1 ZINC000875857290 1290685365 /nfs/dbraw/zinc/68/53/65/1290685365.db2.gz YPQCPVVRDDCETH-JQIJEIRASA-N 0 0 337.423 2.985 10 10 EFCERN COc1c([O-])c(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775012907 1290948269 /nfs/dbraw/zinc/94/82/69/1290948269.db2.gz LDVCVLVNDIWBTC-STQMWFEESA-N 0 0 337.420 2.662 10 10 EFCERN O=c1ccc(C(F)(F)F)cn1Cc1ccc(N2CCOCC2)cc1 ZINC000877873060 1291404616 /nfs/dbraw/zinc/40/46/16/1291404616.db2.gz BHNSVQWPCAJHNW-UHFFFAOYSA-N 0 0 338.329 2.752 10 10 EFCERN COCC1(CCNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000826020669 1291481808 /nfs/dbraw/zinc/48/18/08/1291481808.db2.gz WIMFXIDNQTWFPK-UHFFFAOYSA-N 0 0 331.460 2.685 10 10 EFCERN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849056 1291553897 /nfs/dbraw/zinc/55/38/97/1291553897.db2.gz DRZWUFXZTDZKPC-LRDDRELGSA-N 0 0 343.383 2.828 10 10 EFCERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000878311954 1291621201 /nfs/dbraw/zinc/62/12/01/1291621201.db2.gz BMVVROWECJOPNR-HOTGVXAUSA-N 0 0 332.419 2.715 10 10 EFCERN CCN(CC)c1ccc(CN(C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000121364901 1291649561 /nfs/dbraw/zinc/64/95/61/1291649561.db2.gz SDIKVRZUJGCINF-UHFFFAOYSA-N 0 0 326.506 2.788 10 10 EFCERN O=S(=O)(NCc1cc(Br)ccc1O)c1ccccc1 ZINC000796191146 1292386594 /nfs/dbraw/zinc/38/65/94/1292386594.db2.gz ORRHAZTUHNVYKR-UHFFFAOYSA-N 0 0 342.214 2.633 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](CC(C)C)C(N)=O)c1O ZINC000880591118 1292551876 /nfs/dbraw/zinc/55/18/76/1292551876.db2.gz YGNZULGIXFJPJS-AWEZNQCLSA-N 0 0 326.824 2.580 10 10 EFCERN Cc1nc(C)n(Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)n1 ZINC001137157754 1292588453 /nfs/dbraw/zinc/58/84/53/1292588453.db2.gz OCAKYLMGMBHDOQ-UHFFFAOYSA-N 0 0 328.397 2.963 10 10 EFCERN CC(=O)c1cc(F)cc(Cn2cc([C@@H]3CCCC(=O)C3)nn2)c1O ZINC000880996598 1292713906 /nfs/dbraw/zinc/71/39/06/1292713906.db2.gz XIHZUHUJVPFNKA-LLVKDONJSA-N 0 0 331.347 2.600 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)nn2C)cc1 ZINC000881253485 1292799121 /nfs/dbraw/zinc/79/91/21/1292799121.db2.gz NUKPDRNUXZNYFQ-UHFFFAOYSA-N 0 0 331.420 2.597 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000775679240 1294103665 /nfs/dbraw/zinc/10/36/65/1294103665.db2.gz RUTBONSIXWTCCS-HNNXBMFYSA-N 0 0 342.842 2.871 10 10 EFCERN C[C@H](NC(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000775750769 1294424784 /nfs/dbraw/zinc/42/47/84/1294424784.db2.gz GWAQXEFSMGIEFW-LBPRGKRZSA-N 0 0 330.436 2.982 10 10 EFCERN C[C@@H](NC(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000775750767 1294425148 /nfs/dbraw/zinc/42/51/48/1294425148.db2.gz GWAQXEFSMGIEFW-GFCCVEGCSA-N 0 0 330.436 2.982 10 10 EFCERN COc1ccc(NCc2cc(Cl)cc(C)c2O)cc1-n1cnnn1 ZINC000775759536 1294459629 /nfs/dbraw/zinc/45/96/29/1294459629.db2.gz YQZKSBQYNSZYFX-UHFFFAOYSA-N 0 0 345.790 2.950 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)C1CC(C)(O)C1 ZINC000826527275 1295251398 /nfs/dbraw/zinc/25/13/98/1295251398.db2.gz FGRNYOUNCUOVIP-UHFFFAOYSA-N 0 0 342.233 2.664 10 10 EFCERN CN(C)c1ccc(/C=C2\C(=O)N(c3cccnc3)C(=S)N2C)cc1 ZINC000005938921 1295536109 /nfs/dbraw/zinc/53/61/09/1295536109.db2.gz KBCOQZNLIMYAJN-LFIBNONCSA-N 0 0 338.436 2.752 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012387 1295679911 /nfs/dbraw/zinc/67/99/11/1295679911.db2.gz GGVFVARSZYFOAQ-QWHCGFSZSA-N 0 0 345.798 2.727 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)c1ccccn1 ZINC001297438772 1323216764 /nfs/dbraw/zinc/21/67/64/1323216764.db2.gz DANOGUPAFROWPW-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN C[C@@H](C(=O)NCc1c(O)cccc1F)n1ccc(C(F)(F)F)n1 ZINC000928710210 1297125984 /nfs/dbraw/zinc/12/59/84/1297125984.db2.gz PWEFLQVJISUEFG-QMMMGPOBSA-N 0 0 331.269 2.624 10 10 EFCERN Cc1oc(C=O)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929537285 1297190511 /nfs/dbraw/zinc/19/05/11/1297190511.db2.gz LHMUUBFXHZMVGU-UHFFFAOYSA-N 0 0 342.395 2.509 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000930295690 1297252865 /nfs/dbraw/zinc/25/28/65/1297252865.db2.gz HVPZWAGAWWSWIT-LFDJNIOPSA-N 0 0 328.456 2.913 10 10 EFCERN CCN(C)c1ccc(C[N@H+](C)Cc2c[nH]c(C)c(OC)c2=O)cc1 ZINC000931324318 1297325920 /nfs/dbraw/zinc/32/59/20/1297325920.db2.gz BRBHWIULDJMRCI-UHFFFAOYSA-N 0 0 329.444 2.780 10 10 EFCERN CCCCCCOCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000107567262 1298233095 /nfs/dbraw/zinc/23/30/95/1298233095.db2.gz RLNODOCYVKGEAW-UHFFFAOYSA-N 0 0 334.460 2.736 10 10 EFCERN Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000779490589 1298321359 /nfs/dbraw/zinc/32/13/59/1298321359.db2.gz BXPWNJISMAPJDI-LJQANCHMSA-N 0 0 340.423 2.747 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)C3CCC3)cc2)CC1 ZINC000852079268 1299539616 /nfs/dbraw/zinc/53/96/16/1299539616.db2.gz AKTRCUXUSLLQAI-IBGZPJMESA-N 0 0 345.487 2.883 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1F ZINC000852085957 1299542398 /nfs/dbraw/zinc/54/23/98/1299542398.db2.gz ZVUSFHRDALDFAU-KXBFYZLASA-N 0 0 349.450 2.850 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1F ZINC000852085952 1299542942 /nfs/dbraw/zinc/54/29/42/1299542942.db2.gz ZVUSFHRDALDFAU-HNAYVOBHSA-N 0 0 349.450 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000852211448 1299599705 /nfs/dbraw/zinc/59/97/05/1299599705.db2.gz KZISGOVCLDENLQ-STQMWFEESA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc[nH]3)C2)cc1 ZINC000852232094 1299608214 /nfs/dbraw/zinc/60/82/14/1299608214.db2.gz MVWKSGVDMZYVEY-KBPBESRZSA-N 0 0 328.416 2.662 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC000852235444 1299609625 /nfs/dbraw/zinc/60/96/25/1299609625.db2.gz QGGUWJPJFGLUCN-KFWWJZLASA-N 0 0 347.459 2.529 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCCS3)C2)cc1 ZINC000852283996 1299630374 /nfs/dbraw/zinc/63/03/74/1299630374.db2.gz FAMJJWVLUMIMHR-PBHICJAKSA-N 0 0 349.500 2.859 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCS3)C2)cc1 ZINC000852283999 1299630560 /nfs/dbraw/zinc/63/05/60/1299630560.db2.gz FAMJJWVLUMIMHR-WMLDXEAASA-N 0 0 349.500 2.859 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000852308427 1299647740 /nfs/dbraw/zinc/64/77/40/1299647740.db2.gz DZECTAILTRPHSO-WBAXXEDZSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C(F)(F)F)C2)cc1 ZINC000852340373 1299668173 /nfs/dbraw/zinc/66/81/73/1299668173.db2.gz FGWVLFZDHZAHFF-WDEREUQCSA-N 0 0 331.338 2.524 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCSC3)C2)cc1 ZINC000852339832 1299668187 /nfs/dbraw/zinc/66/81/87/1299668187.db2.gz WZSHEDQDLJYENG-HUUCEWRRSA-N 0 0 349.500 2.716 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCCC3)C2)cc1 ZINC000852359784 1299675882 /nfs/dbraw/zinc/67/58/82/1299675882.db2.gz NNXGNRBASNWGEO-HNNXBMFYSA-N 0 0 347.459 2.532 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1nccn1C ZINC000852384641 1299684154 /nfs/dbraw/zinc/68/41/54/1299684154.db2.gz FSCYOHGSSUVQCY-GJZGRUSLSA-N 0 0 343.475 2.786 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCCOC(C)(C)C)C2)cc1 ZINC000852450738 1299709623 /nfs/dbraw/zinc/70/96/23/1299709623.db2.gz UEBVCKVBBBEMDN-HNNXBMFYSA-N 0 0 349.475 2.778 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCS[C@@H](C)CC3)C2)cc1 ZINC000852451872 1299709670 /nfs/dbraw/zinc/70/96/70/1299709670.db2.gz QJMJREDIDXNFRM-GJZGRUSLSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C3CC3)C2)cc1 ZINC000852455078 1299710221 /nfs/dbraw/zinc/71/02/21/1299710221.db2.gz RMEGFKRLJPDQMH-MAUKXSAKSA-N 0 0 329.444 2.858 10 10 EFCERN Cc1ccncc1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852493508 1299725686 /nfs/dbraw/zinc/72/56/86/1299725686.db2.gz OVYHOPXTRZEBCV-UHFFFAOYSA-N 0 0 330.407 2.637 10 10 EFCERN C[C@]1(CNC(=O)NCc2cc(Br)ccc2O)CC1(F)F ZINC000852581895 1299769108 /nfs/dbraw/zinc/76/91/08/1299769108.db2.gz NTLRHKYHVWDGOU-GFCCVEGCSA-N 0 0 349.175 2.999 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000852780548 1299882774 /nfs/dbraw/zinc/88/27/74/1299882774.db2.gz OBTSZBGRYZVVJW-JDNHERCYSA-N 0 0 331.334 2.978 10 10 EFCERN COC[C@@H](COC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC000853135306 1300020393 /nfs/dbraw/zinc/02/03/93/1300020393.db2.gz VEBOGIKOUOSZDH-SFHVURJKSA-N 0 0 331.412 2.841 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000853245212 1300064616 /nfs/dbraw/zinc/06/46/16/1300064616.db2.gz VUEBZUHBMZOVAG-BGYRXZFFSA-N 0 0 343.471 2.855 10 10 EFCERN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1 ZINC000853244514 1300065093 /nfs/dbraw/zinc/06/50/93/1300065093.db2.gz NATBNNVMDWFRTB-YVEFUNNKSA-N 0 0 341.402 2.707 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000853614584 1300193741 /nfs/dbraw/zinc/19/37/41/1300193741.db2.gz USUKZWUDAWYTSU-CMPLNLGQSA-N 0 0 349.349 2.951 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000853749240 1300256306 /nfs/dbraw/zinc/25/63/06/1300256306.db2.gz NHFKILDHRGLZCN-LJQANCHMSA-N 0 0 331.460 2.772 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000853749239 1300256710 /nfs/dbraw/zinc/25/67/10/1300256710.db2.gz NHFKILDHRGLZCN-IBGZPJMESA-N 0 0 331.460 2.772 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000853749364 1300257094 /nfs/dbraw/zinc/25/70/94/1300257094.db2.gz QKFUBIUVBQMGHC-BEFAXECRSA-N 0 0 341.455 2.982 10 10 EFCERN CCNC(=O)c1ccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853758407 1300261249 /nfs/dbraw/zinc/26/12/49/1300261249.db2.gz FPNHGUGFSQCMHR-OAHLLOKOSA-N 0 0 340.427 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)cc1 ZINC000853759912 1300262877 /nfs/dbraw/zinc/26/28/77/1300262877.db2.gz DMJWYJFNHKOZIE-ZDUSSCGKSA-N 0 0 328.372 2.876 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nccnc3OC(F)F)C2)cc1 ZINC000853761967 1300264699 /nfs/dbraw/zinc/26/46/99/1300264699.db2.gz XDVAKVYKMZOSAG-NSHDSACASA-N 0 0 336.342 2.777 10 10 EFCERN COC(=O)/C=C/c1ccc(N2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853812799 1300288922 /nfs/dbraw/zinc/28/89/22/1300288922.db2.gz OMXHNYHKWDNCAA-OBJZWFGXSA-N 0 0 346.383 2.644 10 10 EFCERN CCCn1nccc1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853817470 1300291144 /nfs/dbraw/zinc/29/11/44/1300291144.db2.gz GOOMRWQFBSPSTB-AWEZNQCLSA-N 0 0 343.431 2.702 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853832219 1300300644 /nfs/dbraw/zinc/30/06/44/1300300644.db2.gz BBFVZRXVOCEDEC-SBLNNXNXSA-N 0 0 346.383 2.522 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2ccn(C3CCOCC3)n2)cc1 ZINC000853847801 1300306623 /nfs/dbraw/zinc/30/66/23/1300306623.db2.gz DRTMCFHXXUXKLY-UHFFFAOYSA-N 0 0 343.431 2.622 10 10 EFCERN C[C@H]1CCC[C@H](CNC(=O)NCCCSc2nccs2)O1 ZINC000853855713 1300310163 /nfs/dbraw/zinc/31/01/63/1300310163.db2.gz DRBILUUKKZCZBR-NWDGAFQWSA-N 0 0 329.491 2.882 10 10 EFCERN C[C@H]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)O1 ZINC000853855714 1300310758 /nfs/dbraw/zinc/31/07/58/1300310758.db2.gz DRBILUUKKZCZBR-RYUDHWBXSA-N 0 0 329.491 2.882 10 10 EFCERN CC(C)Oc1nccnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955549 1300362658 /nfs/dbraw/zinc/36/26/58/1300362658.db2.gz RKVYHRCLHRQUAA-UHFFFAOYSA-N 0 0 342.443 2.837 10 10 EFCERN COCCC1CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000854176357 1300461661 /nfs/dbraw/zinc/46/16/61/1300461661.db2.gz FLNVMMZSCZCTHY-HNNXBMFYSA-N 0 0 333.476 2.670 10 10 EFCERN CCc1ccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000854198280 1300468543 /nfs/dbraw/zinc/46/85/43/1300468543.db2.gz GORBMSCQNDIQDX-UHFFFAOYSA-N 0 0 339.439 2.544 10 10 EFCERN COC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000854324720 1300520013 /nfs/dbraw/zinc/52/00/13/1300520013.db2.gz NPSRPMDFTLLFNJ-UHFFFAOYSA-N 0 0 330.384 2.713 10 10 EFCERN Cc1cc(CC(=O)NCc2cnc(C)nc2N)c(C)n1-c1ccccc1 ZINC000854430013 1300565313 /nfs/dbraw/zinc/56/53/13/1300565313.db2.gz PSGONJPADNIWKP-UHFFFAOYSA-N 0 0 349.438 2.634 10 10 EFCERN Cc1cc(CC(=O)N[C@H](C)c2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000854448505 1300571805 /nfs/dbraw/zinc/57/18/05/1300571805.db2.gz WDMUDIAPCAWRCH-CYBMUJFWSA-N 0 0 337.427 2.941 10 10 EFCERN Cc1cc(CC(=O)N2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC000854525527 1300610342 /nfs/dbraw/zinc/61/03/42/1300610342.db2.gz CISLFGNRSKADBT-UHFFFAOYSA-N 0 0 334.423 2.876 10 10 EFCERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000776750906 1300647072 /nfs/dbraw/zinc/64/70/72/1300647072.db2.gz NOMBVZWPJYGGKF-UHFFFAOYSA-N 0 0 341.772 2.633 10 10 EFCERN Cc1cc(CC(=O)NC[C@@H](O)C2CCC2)c(C)n1-c1ccccc1 ZINC000854888585 1300722006 /nfs/dbraw/zinc/72/20/06/1300722006.db2.gz ZNHONLBPNUAFAE-LJQANCHMSA-N 0 0 326.440 2.914 10 10 EFCERN COc1cc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000854949926 1300747416 /nfs/dbraw/zinc/74/74/16/1300747416.db2.gz ZNTHSHYHIBYRKF-OAHLLOKOSA-N 0 0 341.455 2.755 10 10 EFCERN CCOC1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854981394 1300755499 /nfs/dbraw/zinc/75/54/99/1300755499.db2.gz QRZWIDUVIQNJKT-HNNXBMFYSA-N 0 0 332.444 2.597 10 10 EFCERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)C1=CC(=O)CS1 ZINC000855055230 1300775790 /nfs/dbraw/zinc/77/57/90/1300775790.db2.gz CYPGVMMWOUIKJW-ZDUSSCGKSA-N 0 0 348.424 2.532 10 10 EFCERN Cc1noc(CN(C)C(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000855055439 1300776432 /nfs/dbraw/zinc/77/64/32/1300776432.db2.gz FNOWABPIDJUYHM-UHFFFAOYSA-N 0 0 338.411 2.987 10 10 EFCERN CCNc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855223281 1300845080 /nfs/dbraw/zinc/84/50/80/1300845080.db2.gz GISMKWRNFFVDPL-LBPRGKRZSA-N 0 0 346.456 2.592 10 10 EFCERN CCc1cncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855223434 1300845246 /nfs/dbraw/zinc/84/52/46/1300845246.db2.gz GXABBCRFHNQYCS-MRXNPFEDSA-N 0 0 325.412 2.661 10 10 EFCERN CCOC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855223318 1300845628 /nfs/dbraw/zinc/84/56/28/1300845628.db2.gz FLNVUGJZGVIPFB-HNNXBMFYSA-N 0 0 332.444 2.739 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c4cccnc43)C2)cc1 ZINC000855223290 1300845817 /nfs/dbraw/zinc/84/58/17/1300845817.db2.gz FDVQJLVWYBRANJ-CYBMUJFWSA-N 0 0 336.395 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](OC)c3ccccc3)C2)cc1 ZINC000855223616 1300845828 /nfs/dbraw/zinc/84/58/28/1300845828.db2.gz BPYPAPCOUACFKG-VQIMIIECSA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCCc3ncc(C)o3)C2)cc1 ZINC000855223480 1300846139 /nfs/dbraw/zinc/84/61/39/1300846139.db2.gz HMQDFTZDUDDCGY-OAHLLOKOSA-N 0 0 343.427 2.709 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCCC3CCOCC3)C2)cc1 ZINC000855224712 1300846620 /nfs/dbraw/zinc/84/66/20/1300846620.db2.gz KRESKJPUJSMRMC-QGZVFWFLSA-N 0 0 346.471 2.987 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3cccc(O)c3)C2)cc1 ZINC000855224988 1300846759 /nfs/dbraw/zinc/84/67/59/1300846759.db2.gz HFKIEISAMJABTA-ZWIJEDICSA-N 0 0 338.407 2.809 10 10 EFCERN CC[C@@H]1C[C@H](CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224503 1300846983 /nfs/dbraw/zinc/84/69/83/1300846983.db2.gz FNIGJGBPUUIXAG-SOLBZPMBSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3ncccc3F)C2)cc1 ZINC000855224373 1300847188 /nfs/dbraw/zinc/84/71/88/1300847188.db2.gz KESLCUTUYLPPFS-KGLIPLIRSA-N 0 0 343.402 2.728 10 10 EFCERN CCCc1nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000855224135 1300847460 /nfs/dbraw/zinc/84/74/60/1300847460.db2.gz DSEPHHZGEPJSBT-CYBMUJFWSA-N 0 0 329.400 2.644 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3(c4cccnc4)CC3)C2)cc1 ZINC000855224069 1300847585 /nfs/dbraw/zinc/84/75/85/1300847585.db2.gz CMAYETPYJDOCFN-INIZCTEOSA-N 0 0 337.423 2.517 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4cccnc4n3)C2)cc1 ZINC000855223943 1300847714 /nfs/dbraw/zinc/84/77/14/1300847714.db2.gz JKNAIZICLVNEGJ-HNNXBMFYSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cnccc3Cl)C2)cc1 ZINC000855227266 1300848116 /nfs/dbraw/zinc/84/81/16/1300848116.db2.gz UQHGYRFGXKSJFT-CQSZACIVSA-N 0 0 345.830 2.681 10 10 EFCERN CCc1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000855226812 1300848261 /nfs/dbraw/zinc/84/82/61/1300848261.db2.gz ULUZERLGXMGSHY-HNNXBMFYSA-N 0 0 325.412 2.661 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nc(Cl)cs3)C2)cc1 ZINC000855227626 1300848558 /nfs/dbraw/zinc/84/85/58/1300848558.db2.gz ZMJKZNRCYJFVFE-JTQLQIEISA-N 0 0 337.832 2.814 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](OC)C3CCCC3)C2)cc1 ZINC000855227136 1300848659 /nfs/dbraw/zinc/84/86/59/1300848659.db2.gz TXWIAOJXGZWIJW-CRAIPNDOSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3(C)CCC(=O)CC3)C2)cc1 ZINC000855226881 1300848700 /nfs/dbraw/zinc/84/87/00/1300848700.db2.gz VFYHCCWHYZDFFA-AWEZNQCLSA-N 0 0 330.428 2.540 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)cc1 ZINC000855227431 1300849192 /nfs/dbraw/zinc/84/91/92/1300849192.db2.gz YOXFOIGPAVFUIE-KXBFYZLASA-N 0 0 340.398 2.869 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000855227006 1300849586 /nfs/dbraw/zinc/84/95/86/1300849586.db2.gz SHEYYWLZRTYRAH-RVKKMQEKSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(SC)c3)C2)cc1 ZINC000855229782 1300850047 /nfs/dbraw/zinc/85/00/47/1300850047.db2.gz MEYIBDBFJNEVBE-AWEZNQCLSA-N 0 0 343.452 2.821 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000855231385 1300852056 /nfs/dbraw/zinc/85/20/56/1300852056.db2.gz WDKLSTYOAOKCJY-LBPRGKRZSA-N 0 0 349.818 2.583 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3scnc3Cl)C2)cc1 ZINC000855231308 1300852578 /nfs/dbraw/zinc/85/25/78/1300852578.db2.gz JUMNDIBWXGTOJS-JTQLQIEISA-N 0 0 337.832 2.814 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3C(C)C)C2)cc1 ZINC000855231166 1300852799 /nfs/dbraw/zinc/85/27/99/1300852799.db2.gz HSOJQUMRPAPWBN-CQSZACIVSA-N 0 0 342.443 2.561 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCc3csc(C)n3)C2)cc1 ZINC000855232418 1300853202 /nfs/dbraw/zinc/85/32/02/1300853202.db2.gz TVUIEHIIZKRECG-CQSZACIVSA-N 0 0 345.468 2.788 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccnc3)C2)cc1 ZINC000855231104 1300853419 /nfs/dbraw/zinc/85/34/19/1300853419.db2.gz JUIOVKDOLKLQAB-GOEBONIOSA-N 0 0 325.412 2.589 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3cccnc3)C2)cc1 ZINC000855231103 1300853545 /nfs/dbraw/zinc/85/35/45/1300853545.db2.gz JUIOVKDOLKLQAB-GDBMZVCRSA-N 0 0 325.412 2.589 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Oc3ccccc3)C2)cc1 ZINC000855234692 1300854002 /nfs/dbraw/zinc/85/40/02/1300854002.db2.gz KCCPMAGMUJZRGG-CVEARBPZSA-N 0 0 340.423 2.858 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccnc3Cl)C2)cc1 ZINC000855234747 1300854297 /nfs/dbraw/zinc/85/42/97/1300854297.db2.gz LMGLPSIQUMYGKE-LBPRGKRZSA-N 0 0 331.803 2.752 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000855446779 1300961328 /nfs/dbraw/zinc/96/13/28/1300961328.db2.gz CTOGKMFGXOJEFJ-CYBMUJFWSA-N 0 0 340.395 2.998 10 10 EFCERN Cc1cc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000855840840 1301137585 /nfs/dbraw/zinc/13/75/85/1301137585.db2.gz YYJNYVKNGDMVDK-IFXJQAMLSA-N 0 0 328.387 2.830 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCCOC2)cc1 ZINC000859253592 1301410641 /nfs/dbraw/zinc/41/06/41/1301410641.db2.gz ZKSGGXJLGZBWRN-GOSISDBHSA-N 0 0 340.423 2.744 10 10 EFCERN COc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)co1 ZINC000859283389 1301417331 /nfs/dbraw/zinc/41/73/31/1301417331.db2.gz TYAAELPCVNKETJ-UHFFFAOYSA-N 0 0 329.400 2.850 10 10 EFCERN C[C@]1(Br)C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000859352068 1301439859 /nfs/dbraw/zinc/43/98/59/1301439859.db2.gz MCDYNQFYMKDKBC-KCJUWKMLSA-N 0 0 335.292 2.915 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)NCCCSc1nccs1 ZINC000859351832 1301440495 /nfs/dbraw/zinc/44/04/95/1301440495.db2.gz JBEZSWWZQJXHNR-UHFFFAOYSA-N 0 0 330.866 2.994 10 10 EFCERN Cc1nc2sccn2c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000859725935 1301553808 /nfs/dbraw/zinc/55/38/08/1301553808.db2.gz BSMUDDSDIMIDCF-UHFFFAOYSA-N 0 0 342.424 2.809 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H](O)C(C)C)ccc1C ZINC000860089151 1301695428 /nfs/dbraw/zinc/69/54/28/1301695428.db2.gz AFBHDJFWMVCNDW-LJQANCHMSA-N 0 0 342.439 2.962 10 10 EFCERN CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccccc2O)C1 ZINC000860234403 1301749334 /nfs/dbraw/zinc/74/93/34/1301749334.db2.gz SUDHFNCWVWZAPP-UHFFFAOYSA-N 0 0 334.416 2.656 10 10 EFCERN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860697439 1301890093 /nfs/dbraw/zinc/89/00/93/1301890093.db2.gz WLYMUVBBAKSHRZ-YVEFUNNKSA-N 0 0 341.407 2.884 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CCCCO)cc1 ZINC000861244293 1302047975 /nfs/dbraw/zinc/04/79/75/1302047975.db2.gz GKKCAJNYAIDYMB-UHFFFAOYSA-N 0 0 342.439 2.680 10 10 EFCERN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)cnc1OC ZINC000861416664 1302128713 /nfs/dbraw/zinc/12/87/13/1302128713.db2.gz WGRCATUXQALEKP-UHFFFAOYSA-N 0 0 344.415 2.795 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)ccc1C ZINC000861477700 1302142256 /nfs/dbraw/zinc/14/22/56/1302142256.db2.gz CXGAJOXXVXXLTG-DZFIZOCASA-N 0 0 338.407 2.590 10 10 EFCERN COc1cnc(F)c(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000861588612 1302161737 /nfs/dbraw/zinc/16/17/37/1302161737.db2.gz JRYKCIYBUGXMFK-UHFFFAOYSA-N 0 0 332.379 2.925 10 10 EFCERN CCO[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000861687197 1302190272 /nfs/dbraw/zinc/19/02/72/1302190272.db2.gz KHINCDQTMIJIBH-CYBMUJFWSA-N 0 0 328.206 2.586 10 10 EFCERN COC[C@H]1CCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000861827130 1302214974 /nfs/dbraw/zinc/21/49/74/1302214974.db2.gz GGEZZISZNRBIAF-LJQANCHMSA-N 0 0 340.423 2.696 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2ncnn2C)cc1 ZINC000862090595 1302282380 /nfs/dbraw/zinc/28/23/80/1302282380.db2.gz NYYFSHXBCKKGBV-UHFFFAOYSA-N 0 0 337.427 2.585 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC2(COC2)C1 ZINC000862224741 1302312573 /nfs/dbraw/zinc/31/25/73/1302312573.db2.gz VPVQGJMAGALOFY-UHFFFAOYSA-N 0 0 338.407 2.769 10 10 EFCERN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCOC2)O1 ZINC000862351759 1302342790 /nfs/dbraw/zinc/34/27/90/1302342790.db2.gz SZZKWRIFHFONLB-KSSFIOAISA-N 0 0 340.414 2.801 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H]2COc3cccc(C)c3C2)ccc1[N+](=O)[O-] ZINC000862441607 1302387080 /nfs/dbraw/zinc/38/70/80/1302387080.db2.gz WQIIIWHSWUXHMW-CYBMUJFWSA-N 0 0 344.367 2.711 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(C)c(C)cc1O ZINC000862475107 1302395334 /nfs/dbraw/zinc/39/53/34/1302395334.db2.gz ZAVBJBNAMNSMGM-SFHVURJKSA-N 0 0 343.423 2.892 10 10 EFCERN COC[C@@]1(C)CN(Cc2cc(Br)cc(C)c2O)CCO1 ZINC000862552007 1302412285 /nfs/dbraw/zinc/41/22/85/1302412285.db2.gz RJOBOQMKHXKTLD-OAHLLOKOSA-N 0 0 344.249 2.700 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000862649814 1302433078 /nfs/dbraw/zinc/43/30/78/1302433078.db2.gz HCZGYFFBSYLAJB-ZWKOTPCHSA-N 0 0 346.402 2.503 10 10 EFCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1-c1ccn(C)n1 ZINC000862753182 1302449384 /nfs/dbraw/zinc/44/93/84/1302449384.db2.gz CFBDJRDXBIEUPT-UHFFFAOYSA-N 0 0 338.411 2.772 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000862758562 1302451740 /nfs/dbraw/zinc/45/17/40/1302451740.db2.gz CTUCCGDTOSWPJT-SJORKVTESA-N 0 0 344.455 2.746 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2COCCC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000862930742 1302508638 /nfs/dbraw/zinc/50/86/38/1302508638.db2.gz AKSHLFASMUIQBS-MRXNPFEDSA-N 0 0 346.814 2.835 10 10 EFCERN COC[C@@]1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCOC1 ZINC000863163862 1302544887 /nfs/dbraw/zinc/54/48/87/1302544887.db2.gz RMOFNOFOKBJSCG-FQEVSTJZSA-N 0 0 342.439 2.763 10 10 EFCERN CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000863163459 1302545032 /nfs/dbraw/zinc/54/50/32/1302545032.db2.gz DUEQCKBHBIMPMG-LPHOPBHVSA-N 0 0 342.439 2.762 10 10 EFCERN Cc1cc(CNC(=O)[C@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000863163875 1302545664 /nfs/dbraw/zinc/54/56/64/1302545664.db2.gz RVZVQBGJXIWOCQ-MRXNPFEDSA-N 0 0 339.439 2.627 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](C[C@@H]2CCCOC2)C1=O ZINC000863505498 1302637183 /nfs/dbraw/zinc/63/71/83/1302637183.db2.gz NGUTVROTKJBLSK-JKIFEVAISA-N 0 0 345.443 2.551 10 10 EFCERN COC[C@@]1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC000863829051 1302737247 /nfs/dbraw/zinc/73/72/47/1302737247.db2.gz AMVLDFAIWOZLCM-HXUWFJFHSA-N 0 0 342.439 2.972 10 10 EFCERN Cc1cc(CN2C(=O)/C(=C\c3c(C)noc3C)SC2=S)no1 ZINC000864357358 1302899701 /nfs/dbraw/zinc/89/97/01/1302899701.db2.gz XEWGHYOUGBBTCX-LFYBBSHMSA-N 0 0 335.410 2.989 10 10 EFCERN C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000864508978 1302954054 /nfs/dbraw/zinc/95/40/54/1302954054.db2.gz GQTHGMLPLMGOGU-GXTWGEPZSA-N 0 0 328.206 2.888 10 10 EFCERN O=c1[nH]c2ccccc2c(=O)n1Cc1cc(Br)ccc1O ZINC000794714942 1303037773 /nfs/dbraw/zinc/03/77/73/1303037773.db2.gz SQLPYWUSLWLHKI-UHFFFAOYSA-N 0 0 347.168 2.619 10 10 EFCERN Cc1nsc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000794734834 1303042802 /nfs/dbraw/zinc/04/28/02/1303042802.db2.gz JSJNVMQPTHLHPE-UHFFFAOYSA-N 0 0 329.381 2.988 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000864919227 1303082542 /nfs/dbraw/zinc/08/25/42/1303082542.db2.gz RNGQJNFIRHGUSX-KEYYUXOJSA-N 0 0 334.485 2.670 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(C(F)F)CCC1 ZINC000864931903 1303087127 /nfs/dbraw/zinc/08/71/27/1303087127.db2.gz PPNRQOQVJSNPLM-UHFFFAOYSA-N 0 0 342.361 2.714 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3cc(C)cnc3F)CC2)cc1 ZINC000864950205 1303096860 /nfs/dbraw/zinc/09/68/60/1303096860.db2.gz UDUADFMKZFKLAV-UHFFFAOYSA-N 0 0 343.402 2.890 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/COC1CCOCC1 ZINC000865027444 1303126339 /nfs/dbraw/zinc/12/63/39/1303126339.db2.gz QBXCNIQHOVQQEV-AATRIKPKSA-N 0 0 346.471 2.853 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc2ncn(C)c21 ZINC000865027450 1303126825 /nfs/dbraw/zinc/12/68/25/1303126825.db2.gz QEZFNEQPGRGWBP-UHFFFAOYSA-N 0 0 337.427 2.697 10 10 EFCERN CCO[C@H]1COCC[C@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000865053268 1303139372 /nfs/dbraw/zinc/13/93/72/1303139372.db2.gz IWOXRHACEXDFSI-HKUYNNGSSA-N 0 0 346.471 2.517 10 10 EFCERN Cc1cc(CNC(=S)NCc2ccc(N3CC=CC3)cc2)no1 ZINC000865232195 1303196670 /nfs/dbraw/zinc/19/66/70/1303196670.db2.gz KBTFKZARTCHMRJ-UHFFFAOYSA-N 0 0 328.441 2.524 10 10 EFCERN Cc1cc(Br)c(O)c(CNc2ncc3c(n2)COC3)c1 ZINC000865294470 1303210570 /nfs/dbraw/zinc/21/05/70/1303210570.db2.gz KISRFURPGJVFTQ-UHFFFAOYSA-N 0 0 336.189 2.895 10 10 EFCERN CC(=O)c1cccc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000865418389 1303247668 /nfs/dbraw/zinc/24/76/68/1303247668.db2.gz JMVBDTXFIJQXMM-UHFFFAOYSA-N 0 0 325.412 2.757 10 10 EFCERN NS(=O)(=O)c1cccc(F)c1NCCCSc1nccs1 ZINC000865536576 1303300287 /nfs/dbraw/zinc/30/02/87/1303300287.db2.gz CVNYRPNUEROHHV-UHFFFAOYSA-N 0 0 347.462 2.524 10 10 EFCERN CN(Cc1ccccc1O)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865647231 1303349440 /nfs/dbraw/zinc/34/94/40/1303349440.db2.gz SDIWUQKFIVMPSM-UHFFFAOYSA-N 0 0 330.266 2.689 10 10 EFCERN CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000865655435 1303353970 /nfs/dbraw/zinc/35/39/70/1303353970.db2.gz GBEGNXJFJDBYMN-LBPRGKRZSA-N 0 0 333.259 2.634 10 10 EFCERN CCn1cnc2c1nc(Cl)nc2N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000865667788 1303359471 /nfs/dbraw/zinc/35/94/71/1303359471.db2.gz UCKUKHVTWFWWIS-VIFPVBQESA-N 0 0 347.806 2.954 10 10 EFCERN O=C(NCCCSc1nccs1)c1c[nH]nc1[C@@H]1CCCO1 ZINC000865785585 1303400128 /nfs/dbraw/zinc/40/01/28/1303400128.db2.gz RODWJCKQRDNLDN-NSHDSACASA-N 0 0 338.458 2.630 10 10 EFCERN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000865903384 1303447974 /nfs/dbraw/zinc/44/79/74/1303447974.db2.gz QFVYAQFWDXFTFH-WFASDCNBSA-N 0 0 326.400 2.723 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953211 1303466948 /nfs/dbraw/zinc/46/69/48/1303466948.db2.gz DWCPLGAMUJJFCZ-DPZWOIPNSA-N 0 0 342.483 2.804 10 10 EFCERN CN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000866028869 1303495291 /nfs/dbraw/zinc/49/52/91/1303495291.db2.gz JIQUJXRIJWPLKL-VFNNOXKTSA-N 0 0 348.447 2.586 10 10 EFCERN CC[C@]1(O)CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866067260 1303510900 /nfs/dbraw/zinc/51/09/00/1303510900.db2.gz VHEOONTYZQZEGO-QLBOMPFWSA-N 0 0 334.372 2.522 10 10 EFCERN C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000866160707 1303546649 /nfs/dbraw/zinc/54/66/49/1303546649.db2.gz DUFYAOCXCNMFEU-QWHCGFSZSA-N 0 0 328.368 2.592 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000866205162 1303561373 /nfs/dbraw/zinc/56/13/73/1303561373.db2.gz BGDKLRRFHANTTE-KBUVRSHFSA-N 0 0 348.424 2.970 10 10 EFCERN CCOC1CC2(C[C@@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000866207441 1303562824 /nfs/dbraw/zinc/56/28/24/1303562824.db2.gz PGFIVUGFDHFRPX-XAUUPUKJSA-N 0 0 330.428 2.683 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866211504 1303565265 /nfs/dbraw/zinc/56/52/65/1303565265.db2.gz IWZWLBMQZLXUSG-ISWURRPUSA-N 0 0 346.446 2.695 10 10 EFCERN C[C@H]1C[C@H](NCc2nnc(C3CCOCC3)[nH]2)c2c1c(F)ccc2O ZINC000866441506 1303640565 /nfs/dbraw/zinc/64/05/65/1303640565.db2.gz LNBQNVIQGYBECA-GWCFXTLKSA-N 0 0 346.406 2.882 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)CC2(OC)CCC2)cc1 ZINC000866539025 1303678265 /nfs/dbraw/zinc/67/82/65/1303678265.db2.gz ZTJQEMOLUQQHAE-UHFFFAOYSA-N 0 0 340.489 2.521 10 10 EFCERN C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866564932 1303689201 /nfs/dbraw/zinc/68/92/01/1303689201.db2.gz FSHCGPSHHLFTAU-QMMMGPOBSA-N 0 0 326.303 2.822 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccccc2O)C1 ZINC000866755532 1303780242 /nfs/dbraw/zinc/78/02/42/1303780242.db2.gz LIOGSFAOMAIOJU-IQUTYRLHSA-N 0 0 346.427 2.702 10 10 EFCERN COc1cccc(CNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1O ZINC000866764254 1303783135 /nfs/dbraw/zinc/78/31/35/1303783135.db2.gz RMRZZTZFNWGPDK-AEFFLSMTSA-N 0 0 341.407 2.807 10 10 EFCERN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1ccccc1O ZINC000748458845 1313937609 /nfs/dbraw/zinc/93/76/09/1313937609.db2.gz DBXKFWIPJGEQRU-UHFFFAOYSA-N 0 0 330.775 2.693 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000866765664 1303783991 /nfs/dbraw/zinc/78/39/91/1303783991.db2.gz YLPSEVQVJHEHDH-UFYHVXEKSA-N 0 0 349.427 2.946 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000866766981 1303784353 /nfs/dbraw/zinc/78/43/53/1303784353.db2.gz GQWVMRTVTJYPCG-UHFFFAOYSA-N 0 0 329.400 2.718 10 10 EFCERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000866768815 1303785574 /nfs/dbraw/zinc/78/55/74/1303785574.db2.gz FUFGKPUYWJHIQP-UHFFFAOYSA-N 0 0 328.412 2.640 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C1CCOCC1 ZINC000866770067 1303785893 /nfs/dbraw/zinc/78/58/93/1303785893.db2.gz SKAWTNARLVWORG-DLBZAZTESA-N 0 0 329.440 2.950 10 10 EFCERN O=S(=O)(C[C@@H]1CCC1(F)F)NCCCSc1nccs1 ZINC000866780578 1303791021 /nfs/dbraw/zinc/79/10/21/1303791021.db2.gz AWZIAYVFXCCABH-VIFPVBQESA-N 0 0 342.458 2.590 10 10 EFCERN C[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1ccc(N(C)C)cc1 ZINC000867502672 1303835832 /nfs/dbraw/zinc/83/58/32/1303835832.db2.gz ADQGEBPCBNQEPO-CYBMUJFWSA-N 0 0 340.402 2.959 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867504544 1303836879 /nfs/dbraw/zinc/83/68/79/1303836879.db2.gz XMPOHXANPAHWGF-CWRNSKLLSA-N 0 0 332.444 2.909 10 10 EFCERN C[C@H](COC1CCCC1)CS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690750 1303911852 /nfs/dbraw/zinc/91/18/52/1303911852.db2.gz LWIYJEBNSMMTHG-CYBMUJFWSA-N 0 0 339.457 2.633 10 10 EFCERN O=C1CCCc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc21 ZINC000867691274 1303912001 /nfs/dbraw/zinc/91/20/01/1303912001.db2.gz UMDIMZWMOMIUKX-UHFFFAOYSA-N 0 0 343.404 2.616 10 10 EFCERN COc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)c1F ZINC000867690723 1303912096 /nfs/dbraw/zinc/91/20/96/1303912096.db2.gz LBSPQNDMPBKKBG-UHFFFAOYSA-N 0 0 337.372 2.553 10 10 EFCERN C[C@H](NS(=O)(=O)c1cccc2c1OCCC2)c1ccccc1O ZINC000867836150 1303978853 /nfs/dbraw/zinc/97/88/53/1303978853.db2.gz HMGFURRMMLDAFX-LBPRGKRZSA-N 0 0 333.409 2.757 10 10 EFCERN CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000867836367 1303979217 /nfs/dbraw/zinc/97/92/17/1303979217.db2.gz QBXNZWUGSTWLPH-GUYCJALGSA-N 0 0 335.425 2.760 10 10 EFCERN C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000867955741 1304043557 /nfs/dbraw/zinc/04/35/57/1304043557.db2.gz GKCPIAQDIZHDEQ-LBPRGKRZSA-N 0 0 328.368 2.724 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000748504856 1313958163 /nfs/dbraw/zinc/95/81/63/1313958163.db2.gz VYFPVMCWURPTDL-UHFFFAOYSA-N 0 0 343.452 2.602 10 10 EFCERN Nc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000868062473 1304103338 /nfs/dbraw/zinc/10/33/38/1304103338.db2.gz RPEZQTGRBZKYMO-UHFFFAOYSA-N 0 0 325.368 2.915 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)[C@H](OCC)[C@@H]1CCOC1 ZINC000868110298 1304131029 /nfs/dbraw/zinc/13/10/29/1304131029.db2.gz YFNRMCIFEWXQRG-SJLPKXTDSA-N 0 0 335.444 2.963 10 10 EFCERN COc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000868162889 1304163230 /nfs/dbraw/zinc/16/32/30/1304163230.db2.gz KGWVUELQMQZZLU-KRWDZBQOSA-N 0 0 327.384 2.883 10 10 EFCERN COc1ccc([C@@H]2CN(C(=O)Nc3ccc(N)cc3)CCO2)cc1 ZINC000868163547 1304164290 /nfs/dbraw/zinc/16/42/90/1304164290.db2.gz QBNOHLPUIIXENT-KRWDZBQOSA-N 0 0 327.384 2.883 10 10 EFCERN COc1ccc([C@H]2CN(C(=O)Nc3ccc(N)cc3)CCO2)cc1 ZINC000868163550 1304164661 /nfs/dbraw/zinc/16/46/61/1304164661.db2.gz QBNOHLPUIIXENT-QGZVFWFLSA-N 0 0 327.384 2.883 10 10 EFCERN C[C@H](NC(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1O ZINC000868441328 1304297805 /nfs/dbraw/zinc/29/78/05/1304297805.db2.gz UWXZQZCZPOBJJN-LBPRGKRZSA-N 0 0 326.400 2.663 10 10 EFCERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868513575 1304333964 /nfs/dbraw/zinc/33/39/64/1304333964.db2.gz HGJKCPCUSIUZCB-BFHYXJOUSA-N 0 0 349.431 2.619 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000868515860 1304335178 /nfs/dbraw/zinc/33/51/78/1304335178.db2.gz VAJZTTZZYWZYOO-JEBQAFNWSA-N 0 0 331.460 2.928 10 10 EFCERN CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccnn1C ZINC000868530719 1304341949 /nfs/dbraw/zinc/34/19/49/1304341949.db2.gz PJDZNSLAUAVCDJ-ZFWWWQNUSA-N 0 0 330.432 2.926 10 10 EFCERN C[C@@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1O ZINC000868780272 1304472037 /nfs/dbraw/zinc/47/20/37/1304472037.db2.gz HFTUIJTVIFTOGY-GFCCVEGCSA-N 0 0 328.416 2.954 10 10 EFCERN C[C@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1O ZINC000868780273 1304472089 /nfs/dbraw/zinc/47/20/89/1304472089.db2.gz HFTUIJTVIFTOGY-LBPRGKRZSA-N 0 0 328.416 2.954 10 10 EFCERN C[C@@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC000868799453 1304481575 /nfs/dbraw/zinc/48/15/75/1304481575.db2.gz ARDDEZGTXUWQMF-SECBINFHSA-N 0 0 342.321 2.705 10 10 EFCERN CC/C=C(\F)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868838744 1304499974 /nfs/dbraw/zinc/49/99/74/1304499974.db2.gz PFCBWOVEDJVZGW-BASWHVEKSA-N 0 0 328.334 2.681 10 10 EFCERN O=C(CCCOC1CCOCC1)NCc1ccc2cccnc2c1O ZINC000868937838 1304541836 /nfs/dbraw/zinc/54/18/36/1304541836.db2.gz NUMRAPFGBFGIEQ-UHFFFAOYSA-N 0 0 344.411 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)C2)cc1 ZINC000868955735 1304547580 /nfs/dbraw/zinc/54/75/80/1304547580.db2.gz DXKYKFUNIKCKOW-ZUJMEHAASA-N 0 0 328.456 2.930 10 10 EFCERN C[C@H](NC(=O)NC[C@H]1CC(=O)c2ccccc2O1)c1ccccc1O ZINC000869089320 1304608634 /nfs/dbraw/zinc/60/86/34/1304608634.db2.gz IRCTUQWOHOMXIP-QWHCGFSZSA-N 0 0 340.379 2.786 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NC[C@@H]2c3ccccc3CN2C)c1 ZINC000869108086 1304617749 /nfs/dbraw/zinc/61/77/49/1304617749.db2.gz JVDVVEDEOBSNJI-QGZVFWFLSA-N 0 0 325.412 2.687 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCn2nccc21 ZINC000869217581 1304664708 /nfs/dbraw/zinc/66/47/08/1304664708.db2.gz CBHDVCJJBGAWJK-INIZCTEOSA-N 0 0 340.427 2.802 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3ccncc3)C2)cc1 ZINC000869228997 1304670755 /nfs/dbraw/zinc/67/07/55/1304670755.db2.gz QXBNIMPRXYRGLC-ZBFHGGJFSA-N 0 0 325.412 2.589 10 10 EFCERN O=C(COC(=O)C1([C@H]2CCCCO2)CCC1)c1ccc(O)c(O)c1 ZINC000869811591 1304981856 /nfs/dbraw/zinc/98/18/56/1304981856.db2.gz YAEQRBFCEKGNQD-MRXNPFEDSA-N 0 0 334.368 2.563 10 10 EFCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000869885723 1305021849 /nfs/dbraw/zinc/02/18/49/1305021849.db2.gz BKIBDQIUJNYINB-RNJTYBCJSA-N 0 0 344.455 2.546 10 10 EFCERN CC(C)(C)c1csc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 ZINC000870060701 1305110787 /nfs/dbraw/zinc/11/07/87/1305110787.db2.gz LYAOMQFPHCRYCK-UHFFFAOYSA-N 0 0 335.381 2.892 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)c(OC)c1 ZINC000870167692 1305186060 /nfs/dbraw/zinc/18/60/60/1305186060.db2.gz OKPAWVFBPDCAMU-HZPDHXFCSA-N 0 0 332.444 2.645 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)c(OC)c1 ZINC000870167694 1305186205 /nfs/dbraw/zinc/18/62/05/1305186205.db2.gz OKPAWVFBPDCAMU-JKSUJKDBSA-N 0 0 332.444 2.645 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C(F)F ZINC000870417423 1305312206 /nfs/dbraw/zinc/31/22/06/1305312206.db2.gz POIAFXVKXLPHLY-LBPRGKRZSA-N 0 0 328.384 2.902 10 10 EFCERN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(OC)c1OC ZINC000871197558 1305885381 /nfs/dbraw/zinc/88/53/81/1305885381.db2.gz BXQPCAQUEUCYFJ-UHFFFAOYSA-N 0 0 329.352 2.574 10 10 EFCERN CN(C(=O)C1CC1)c1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200328 1305886856 /nfs/dbraw/zinc/88/68/56/1305886856.db2.gz AKQMSAVDTPDYTB-UHFFFAOYSA-N 0 0 336.391 2.921 10 10 EFCERN CC(=O)N(CCC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1 ZINC000871200898 1305887255 /nfs/dbraw/zinc/88/72/55/1305887255.db2.gz MDFIBMZYKONGHZ-UHFFFAOYSA-N 0 0 338.407 2.673 10 10 EFCERN CC(=O)c1cccc(O[C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871200552 1305887570 /nfs/dbraw/zinc/88/75/70/1305887570.db2.gz GEMXDYDDXSCEPD-CYBMUJFWSA-N 0 0 325.364 2.905 10 10 EFCERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1)N1CCCC1 ZINC000871200745 1305887616 /nfs/dbraw/zinc/88/76/16/1305887616.db2.gz HZWFKHIIMYGMHY-CVEARBPZSA-N 0 0 342.439 2.663 10 10 EFCERN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc2c(c1)OCCO2 ZINC000871200832 1305888230 /nfs/dbraw/zinc/88/82/30/1305888230.db2.gz JVCHDPRMFIWMQR-UHFFFAOYSA-N 0 0 339.391 2.983 10 10 EFCERN CCc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1Cc1ccccc1 ZINC000871206315 1305890515 /nfs/dbraw/zinc/89/05/15/1305890515.db2.gz ZIAHPPLMSFAGKJ-UHFFFAOYSA-N 0 0 348.406 2.750 10 10 EFCERN O=C(C[C@H](n1cccn1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205921 1305890659 /nfs/dbraw/zinc/89/06/59/1305890659.db2.gz NYDNZEACOOWXNO-ZDUSSCGKSA-N 0 0 325.290 2.625 10 10 EFCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000871205402 1305891350 /nfs/dbraw/zinc/89/13/50/1305891350.db2.gz ZRXQUNUPULUHNX-NEPJUHHUSA-N 0 0 334.416 2.784 10 10 EFCERN Cc1nn(C2CCOCC2)c(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871207987 1305892346 /nfs/dbraw/zinc/89/23/46/1305892346.db2.gz WOGUQTOWSZXURG-UHFFFAOYSA-N 0 0 341.411 2.713 10 10 EFCERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206764 1305892749 /nfs/dbraw/zinc/89/27/49/1305892749.db2.gz DKDCPCSHZRTBJE-LBPRGKRZSA-N 0 0 334.416 2.880 10 10 EFCERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)n1ccc(C(F)(F)F)n1 ZINC000871207707 1305892797 /nfs/dbraw/zinc/89/27/97/1305892797.db2.gz RCKSZVHXNUZAMC-SECBINFHSA-N 0 0 325.290 2.711 10 10 EFCERN CNC(=O)C[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 ZINC000796609588 1306782949 /nfs/dbraw/zinc/78/29/49/1306782949.db2.gz BTGZLVFQWUWBJY-KRWDZBQOSA-N 0 0 344.386 2.701 10 10 EFCERN O=C(CCF)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000900249162 1307822294 /nfs/dbraw/zinc/82/22/94/1307822294.db2.gz DMRBONZZFKZTRC-UHFFFAOYSA-N 0 0 334.313 2.518 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C(F)F)cc1 ZINC000800446886 1307855076 /nfs/dbraw/zinc/85/50/76/1307855076.db2.gz ZOKNHQWZDDIGGD-MRXNPFEDSA-N 0 0 339.430 2.831 10 10 EFCERN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538718 1308092352 /nfs/dbraw/zinc/09/23/52/1308092352.db2.gz ZWEXKKFBELQXKJ-OAHLLOKOSA-N 0 0 340.423 2.634 10 10 EFCERN C[C@@H](NC(=O)N1CC(C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000800715283 1308287970 /nfs/dbraw/zinc/28/79/70/1308287970.db2.gz LULDANXIVIUITL-CQSZACIVSA-N 0 0 331.460 2.882 10 10 EFCERN COc1ccc(CNC(=O)NCCc2cccc3[nH]ccc32)c(O)c1 ZINC000800743875 1308339931 /nfs/dbraw/zinc/33/99/31/1308339931.db2.gz RASBSMWWYARWEE-UHFFFAOYSA-N 0 0 339.395 2.924 10 10 EFCERN CO[C@@H](C)c1nsc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000800848167 1308544748 /nfs/dbraw/zinc/54/47/48/1308544748.db2.gz UIAOKRGCFHHAHU-LBPRGKRZSA-N 0 0 334.445 2.694 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000800915615 1308668368 /nfs/dbraw/zinc/66/83/68/1308668368.db2.gz ODWLZBDWAAMYPU-UHFFFAOYSA-N 0 0 335.425 2.838 10 10 EFCERN COc1ccccc1[C@H](O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000901132717 1309566114 /nfs/dbraw/zinc/56/61/14/1309566114.db2.gz WBLCSESQCOOIDA-IBGZPJMESA-N 0 0 341.407 2.629 10 10 EFCERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000801554989 1310518583 /nfs/dbraw/zinc/51/85/83/1310518583.db2.gz CDABTPBRTQXDTA-CQSZACIVSA-N 0 0 331.343 2.971 10 10 EFCERN COc1cc(NS(=O)(=O)CC2Cc3ccccc3C2)ccc1O ZINC000901663901 1310845631 /nfs/dbraw/zinc/84/56/31/1310845631.db2.gz NQCFHQRHQWVWSI-UHFFFAOYSA-N 0 0 333.409 2.558 10 10 EFCERN COC1CCC(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000750639899 1311083244 /nfs/dbraw/zinc/08/32/44/1311083244.db2.gz XCAZMUWDVVWOFL-UHFFFAOYSA-N 0 0 337.439 2.896 10 10 EFCERN COc1c(F)cc(C(=O)NCc2cccc(Cl)c2O)c(N)c1F ZINC001159041539 1311439575 /nfs/dbraw/zinc/43/95/75/1311439575.db2.gz QYUJFWUVEWCONU-UHFFFAOYSA-N 0 0 342.729 2.845 10 10 EFCERN CNc1c(C(=O)NCc2cccc(Cl)c2O)cccc1[N+](=O)[O-] ZINC001159041305 1311439844 /nfs/dbraw/zinc/43/98/44/1311439844.db2.gz HQAQWTFABHRBKH-UHFFFAOYSA-N 0 0 335.747 2.926 10 10 EFCERN COC(=O)Cc1sccc1C(=O)NCc1cccc(Cl)c1O ZINC001159041589 1311439905 /nfs/dbraw/zinc/43/99/05/1311439905.db2.gz TVBVYCTXMXVQGF-UHFFFAOYSA-N 0 0 339.800 2.753 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@H](OC(F)F)C1 ZINC000802244037 1311501181 /nfs/dbraw/zinc/50/11/81/1311501181.db2.gz NGRIWDSLTNVYAA-VIFPVBQESA-N 0 0 337.417 2.648 10 10 EFCERN CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Nc1ccccc1 ZINC001159536787 1311535655 /nfs/dbraw/zinc/53/56/55/1311535655.db2.gz YDJMCDAQLZMIIV-MRXNPFEDSA-N 0 0 328.412 2.893 10 10 EFCERN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC001159795969 1311586107 /nfs/dbraw/zinc/58/61/07/1311586107.db2.gz TYJPCLBFJNZNGY-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN CCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000802369211 1311599791 /nfs/dbraw/zinc/59/97/91/1311599791.db2.gz ZSCJNJXXRPJBQA-QGZVFWFLSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1ncc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1C ZINC001160564144 1311737555 /nfs/dbraw/zinc/73/75/55/1311737555.db2.gz WYLPFNRJPRGGKF-UHFFFAOYSA-N 0 0 332.367 2.691 10 10 EFCERN Cc1cnc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(O)c1 ZINC001162113775 1312050536 /nfs/dbraw/zinc/05/05/36/1312050536.db2.gz ITJZBSCDGITJRJ-CQSZACIVSA-N 0 0 327.428 2.831 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(Br)c1F ZINC001162278431 1312079327 /nfs/dbraw/zinc/07/93/27/1312079327.db2.gz HXDCXZFEKCDUOF-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN COc1cc(CC(=O)NCc2ccc3cccnc3c2O)ccc1O ZINC001162612376 1312135754 /nfs/dbraw/zinc/13/57/54/1312135754.db2.gz INSIOZQTWXEWSY-UHFFFAOYSA-N 0 0 338.363 2.514 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1COC[C@@H]1c1ccccc1 ZINC001162612031 1312135846 /nfs/dbraw/zinc/13/58/46/1312135846.db2.gz ACOHNCUTRXFVED-MSOLQXFVSA-N 0 0 348.402 2.987 10 10 EFCERN Cc1ccc(C(=O)NC[C@@H]2CSc3ccccc3O2)c(O)c1O ZINC001163213676 1312265362 /nfs/dbraw/zinc/26/53/62/1312265362.db2.gz UNPYEHRIMYOFIU-LLVKDONJSA-N 0 0 331.393 2.689 10 10 EFCERN C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1[O-] ZINC000903153552 1312414750 /nfs/dbraw/zinc/41/47/50/1312414750.db2.gz HHSZADZKSXVXQQ-XSRFYTQQSA-N 0 0 347.427 2.924 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC001164110854 1312449814 /nfs/dbraw/zinc/44/98/14/1312449814.db2.gz SBOBGPSOSDPUDW-GJZGRUSLSA-N 0 0 330.388 2.927 10 10 EFCERN Cc1cc(NCc2c(O)cccc2F)n2nc(C(F)(F)F)nc2n1 ZINC001164185360 1312464081 /nfs/dbraw/zinc/46/40/81/1312464081.db2.gz DHRSLBTVPRWCRV-UHFFFAOYSA-N 0 0 341.268 2.908 10 10 EFCERN COC(=O)c1ccnc(NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC001164341285 1312495325 /nfs/dbraw/zinc/49/53/25/1312495325.db2.gz DYNRDTSBVJPMAD-UHFFFAOYSA-N 0 0 337.719 2.748 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1cc(F)cc(F)c1[O-] ZINC000903271826 1312526713 /nfs/dbraw/zinc/52/67/13/1312526713.db2.gz OQXJWERQPABNLJ-VQISRLSMSA-N 0 0 328.428 2.901 10 10 EFCERN COC(=O)COc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165497687 1312638080 /nfs/dbraw/zinc/63/80/80/1312638080.db2.gz HWESJPIBOPNXDU-UHFFFAOYSA-N 0 0 349.770 2.527 10 10 EFCERN COC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(OC)cc1O ZINC000178848303 1314673699 /nfs/dbraw/zinc/67/36/99/1314673699.db2.gz NMTGTXHNKVLTFU-QGZVFWFLSA-N 0 0 327.380 2.501 10 10 EFCERN CC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)nc1 ZINC001216625262 1314983349 /nfs/dbraw/zinc/98/33/49/1314983349.db2.gz UKMMDYCVHMHXOT-UHFFFAOYSA-N 0 0 330.363 2.811 10 10 EFCERN CCOc1ccc(N(CC)Cc2csc(CC(=O)NC)n2)cc1 ZINC000749153614 1315168246 /nfs/dbraw/zinc/16/82/46/1315168246.db2.gz MGASNZPTPNAYLJ-UHFFFAOYSA-N 0 0 333.457 2.857 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000826862186 1315535779 /nfs/dbraw/zinc/53/57/79/1315535779.db2.gz WQZNVNSPJSLEPI-PKOBYXMFSA-N 0 0 346.471 2.591 10 10 EFCERN O=C(NCCc1ccoc1)NCc1cccc(Br)c1O ZINC001253099020 1315566977 /nfs/dbraw/zinc/56/69/77/1315566977.db2.gz KHARKEKQDMENCY-UHFFFAOYSA-N 0 0 339.189 2.790 10 10 EFCERN Cc1cc(CNC(=O)N(C)[C@@H](C)CO)c(C)n1-c1cccc(C)c1 ZINC001254072479 1315671342 /nfs/dbraw/zinc/67/13/42/1315671342.db2.gz BJXVMMVXQCPOJS-HNNXBMFYSA-N 0 0 329.444 2.925 10 10 EFCERN C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)c1ccc(N(C)C)cc1 ZINC001255217775 1315793071 /nfs/dbraw/zinc/79/30/71/1315793071.db2.gz QDLZBJOQJULVIJ-MTKWDUKCSA-N 0 0 331.460 2.616 10 10 EFCERN C[C@H](NS(=O)(=O)CCC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000827473291 1315986929 /nfs/dbraw/zinc/98/69/29/1315986929.db2.gz FMGFHURKMWTCKD-GJZGRUSLSA-N 0 0 340.489 2.550 10 10 EFCERN C[C@H](NS(=O)(=O)CCC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000827473293 1315987335 /nfs/dbraw/zinc/98/73/35/1315987335.db2.gz FMGFHURKMWTCKD-LSDHHAIUSA-N 0 0 340.489 2.550 10 10 EFCERN Cc1cc(Br)c(N)c(C(=O)NCc2ccccc2O)c1 ZINC001137471268 1316012691 /nfs/dbraw/zinc/01/26/91/1316012691.db2.gz DJLPKIUIJUPYIJ-UHFFFAOYSA-N 0 0 335.201 2.975 10 10 EFCERN CCOC(=O)[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877090 1316025100 /nfs/dbraw/zinc/02/51/00/1316025100.db2.gz DCQAIUDTEUUHCU-LJQANCHMSA-N 0 0 346.471 2.749 10 10 EFCERN COc1c(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955532 1316256384 /nfs/dbraw/zinc/25/63/84/1316256384.db2.gz JBYCFXVIHORKSO-VFZGTOFNSA-N 0 0 346.330 2.554 10 10 EFCERN C[S@](=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299722105 1316378097 /nfs/dbraw/zinc/37/80/97/1316378097.db2.gz YWXFYROEGPATJF-DEOSSOPVSA-N 0 0 340.404 2.608 10 10 EFCERN C[C@](O)(Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001299721877 1316378356 /nfs/dbraw/zinc/37/83/56/1316378356.db2.gz UIIKFMCQAPLNOL-FQEVSTJZSA-N 0 0 336.391 2.550 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)c2ccccc21 ZINC001299724683 1316379582 /nfs/dbraw/zinc/37/95/82/1316379582.db2.gz HATJDZHFLUORFF-INIZCTEOSA-N 0 0 332.359 2.927 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C3CC3)nn2C)c1 ZINC001261287203 1316402066 /nfs/dbraw/zinc/40/20/66/1316402066.db2.gz RKHKVORZGGIRSJ-JTQLQIEISA-N 0 0 330.388 2.894 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(C(C)(C)C)CC1 ZINC001261313134 1316404063 /nfs/dbraw/zinc/40/40/63/1316404063.db2.gz NMAHNPYNRWNMNJ-UHFFFAOYSA-N 0 0 332.444 2.635 10 10 EFCERN COc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cnn1C ZINC001261361970 1316407023 /nfs/dbraw/zinc/40/70/23/1316407023.db2.gz KEQIGVMKRDSVMD-UHFFFAOYSA-N 0 0 342.443 2.595 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]1(C)C1CCCCC1 ZINC001261873567 1316435301 /nfs/dbraw/zinc/43/53/01/1316435301.db2.gz BPGLIFFQPIOVDD-FQEVSTJZSA-N 0 0 344.455 2.922 10 10 EFCERN CC(C)(C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001262153116 1316449957 /nfs/dbraw/zinc/44/99/57/1316449957.db2.gz RHFONGNDHDGVMR-UHFFFAOYSA-N 0 0 334.441 2.869 10 10 EFCERN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC001264287047 1316602728 /nfs/dbraw/zinc/60/27/28/1316602728.db2.gz ILUNQGIVUKFESG-HNNXBMFYSA-N 0 0 326.444 2.782 10 10 EFCERN Cc1cnc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccn12 ZINC001264826824 1316671670 /nfs/dbraw/zinc/67/16/70/1316671670.db2.gz CEGDGBNCRQGAAE-UHFFFAOYSA-N 0 0 326.375 2.778 10 10 EFCERN C/C(=C\C(=O)N1C[C@H](n2cccn2)Cc2ccccc21)c1cnccn1 ZINC001265586026 1316829647 /nfs/dbraw/zinc/82/96/47/1316829647.db2.gz YEMJXJMMTUONEC-GSPCDJLXSA-N 0 0 345.406 2.907 10 10 EFCERN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=CC(=O)CS1 ZINC001289955781 1321844371 /nfs/dbraw/zinc/84/43/71/1321844371.db2.gz CTFFJYDKJDTADS-UHFFFAOYSA-N 0 0 337.353 2.510 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CCCCC3)C1)cc2=O ZINC000738702204 1321980719 /nfs/dbraw/zinc/98/07/19/1321980719.db2.gz GUSADXLFWDFOMV-UHFFFAOYSA-N 0 0 344.415 2.679 10 10 EFCERN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(O)c1O ZINC001292351149 1322056892 /nfs/dbraw/zinc/05/68/92/1322056892.db2.gz JSONFFLSOOBGKC-UHFFFAOYSA-N 0 0 340.379 2.895 10 10 EFCERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)COCc1ccccc1 ZINC001292409257 1322067553 /nfs/dbraw/zinc/06/75/53/1322067553.db2.gz QRIYYIOEXLSLKY-CQSZACIVSA-N 0 0 329.396 2.609 10 10 EFCERN COc1c(C)cnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001292411056 1322068965 /nfs/dbraw/zinc/06/89/65/1322068965.db2.gz XVASXEVCUVJCPA-UHFFFAOYSA-N 0 0 341.371 2.799 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC001292683813 1322104386 /nfs/dbraw/zinc/10/43/86/1322104386.db2.gz UYIPJFVWMCACDY-UHFFFAOYSA-N 0 0 349.354 2.564 10 10 EFCERN Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001293568905 1322286545 /nfs/dbraw/zinc/28/65/45/1322286545.db2.gz RAMNVTZRTFALAA-CYBMUJFWSA-N 0 0 332.425 2.941 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001293710026 1322331439 /nfs/dbraw/zinc/33/14/39/1322331439.db2.gz PQILDAWETFZSPV-GFCCVEGCSA-N 0 0 329.356 2.726 10 10 EFCERN CO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001293974784 1322388409 /nfs/dbraw/zinc/38/84/09/1322388409.db2.gz KIRDHACZPUZQDQ-INIZCTEOSA-N 0 0 335.787 2.798 10 10 EFCERN CCc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001294212242 1322432596 /nfs/dbraw/zinc/43/25/96/1322432596.db2.gz LJHJXGVILSXRHB-UHFFFAOYSA-N 0 0 340.423 2.552 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cc2ccccc2s1 ZINC001294582616 1322521650 /nfs/dbraw/zinc/52/16/50/1322521650.db2.gz LPAJNHDUTFPLBL-HNNXBMFYSA-N 0 0 343.404 2.705 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(CC(C)=O)CCC3)CC2)cc1F ZINC001294824136 1322570191 /nfs/dbraw/zinc/57/01/91/1322570191.db2.gz RENXYXKHMMXERN-UHFFFAOYSA-N 0 0 348.418 2.632 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccsc1Br ZINC001294870452 1322586393 /nfs/dbraw/zinc/58/63/93/1322586393.db2.gz KOQJUXRNYMPFQQ-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN Cc1ccc(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)nn1 ZINC001294912094 1322596258 /nfs/dbraw/zinc/59/62/58/1322596258.db2.gz ANHHLBXBHOTFMU-UHFFFAOYSA-N 0 0 349.390 2.836 10 10 EFCERN O=C(NCc1ccccc1O)[C@H](O)c1cccc(Br)c1 ZINC001294925936 1322598852 /nfs/dbraw/zinc/59/88/52/1322598852.db2.gz VIJTYTXKTPPLAC-CQSZACIVSA-N 0 0 336.185 2.505 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H](O)c1cccc(Br)c1 ZINC001294925935 1322600896 /nfs/dbraw/zinc/60/08/96/1322600896.db2.gz VIJTYTXKTPPLAC-AWEZNQCLSA-N 0 0 336.185 2.505 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccn3c(C)cnc3c2)c1 ZINC001294937034 1322603041 /nfs/dbraw/zinc/60/30/41/1322603041.db2.gz MVGYUYXBLKFACT-GFCCVEGCSA-N 0 0 325.368 2.848 10 10 EFCERN O=C(NCc1cccc(CO)c1)c1cc2cc(O)c(O)cc2s1 ZINC001294976773 1322613505 /nfs/dbraw/zinc/61/35/05/1322613505.db2.gz NHNGYOPBQAJONZ-UHFFFAOYSA-N 0 0 329.377 2.735 10 10 EFCERN COc1ccc(N2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000742389510 1322635806 /nfs/dbraw/zinc/63/58/06/1322635806.db2.gz HWRXCKVBTBTABQ-UHFFFAOYSA-N 0 0 343.383 2.939 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001295876626 1322797933 /nfs/dbraw/zinc/79/79/33/1322797933.db2.gz DOMOTGCANBIODF-CQSZACIVSA-N 0 0 344.386 2.565 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2cc(Cl)ccn21 ZINC001296247874 1322873166 /nfs/dbraw/zinc/87/31/66/1322873166.db2.gz YUKMVGOTMYVBRV-JTQLQIEISA-N 0 0 345.786 2.760 10 10 EFCERN O=C(Nc1nc2cc[nH]cc-2n1)c1ccc(C2=S=CC=C2)s1 ZINC001320025307 1329058708 /nfs/dbraw/zinc/05/87/08/1329058708.db2.gz JGUMKYCYLJOGMM-UHFFFAOYSA-N 0 0 326.406 2.897 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000743459962 1322958697 /nfs/dbraw/zinc/95/86/97/1322958697.db2.gz QKWVDHSNNIRJKV-HYXAFXHYSA-N 0 0 346.383 2.788 10 10 EFCERN CCCOc1ccnc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001296648467 1322965457 /nfs/dbraw/zinc/96/54/57/1322965457.db2.gz LFGLFWNRPRJLCA-AWEZNQCLSA-N 0 0 342.443 2.751 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCCCSc1ccccn1 ZINC001297661009 1323311516 /nfs/dbraw/zinc/31/15/16/1323311516.db2.gz HWPIWVIIRYJNBJ-SOFGYWHQSA-N 0 0 330.409 2.805 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(C)COC1 ZINC001298364275 1323505314 /nfs/dbraw/zinc/50/53/14/1323505314.db2.gz XFRJCVSPSNVMTG-UHFFFAOYSA-N 0 0 328.416 2.534 10 10 EFCERN Cn1cccc1C(=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001298829179 1323616656 /nfs/dbraw/zinc/61/66/56/1323616656.db2.gz BCLZPTRIFXORSU-UHFFFAOYSA-N 0 0 345.362 2.556 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301121517 1324524499 /nfs/dbraw/zinc/52/44/99/1324524499.db2.gz GPPMJIKYEVQRRN-UHFFFAOYSA-N 0 0 328.324 2.989 10 10 EFCERN COc1ccccc1-c1cc(CNC(=O)c2cccc(O)c2O)on1 ZINC001301446505 1324543489 /nfs/dbraw/zinc/54/34/89/1324543489.db2.gz ANDAXZDRNJQIOS-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN COCCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001301684080 1324556495 /nfs/dbraw/zinc/55/64/95/1324556495.db2.gz XGKFXGXDHGYYIE-UHFFFAOYSA-N 0 0 349.454 2.738 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001302437686 1324577760 /nfs/dbraw/zinc/57/77/60/1324577760.db2.gz YYGQQOWTXZUKJW-KDOFPFPSSA-N 0 0 347.798 2.940 10 10 EFCERN Cc1c(Br)cnn1CC(=O)N[C@H](C)c1ccccc1O ZINC001302532972 1324579905 /nfs/dbraw/zinc/57/99/05/1324579905.db2.gz XKQJCJYVMPHCFF-SECBINFHSA-N 0 0 338.205 2.537 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cn(C)nn2)ccc1C ZINC001303005668 1324591099 /nfs/dbraw/zinc/59/10/99/1324591099.db2.gz HBDZQXKSIZXORE-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN CCOC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001303193205 1324597184 /nfs/dbraw/zinc/59/71/84/1324597184.db2.gz IJRMLENNBVGRJX-UHFFFAOYSA-N 0 0 330.340 2.596 10 10 EFCERN Cc1cc(Cl)c(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] ZINC001303225694 1324599214 /nfs/dbraw/zinc/59/92/14/1324599214.db2.gz NKNLTDUTNVHFKE-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001303225460 1324599320 /nfs/dbraw/zinc/59/93/20/1324599320.db2.gz IFOGMZSYKUHRNH-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN COC(=O)/C(C)=C\COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000748175055 1324604552 /nfs/dbraw/zinc/60/45/52/1324604552.db2.gz FOYIHWCSBVVHKM-WQLSENKSSA-N 0 0 328.368 2.765 10 10 EFCERN C[C@H](C(=O)NCc1c(O)cccc1F)n1ccc2ccccc2c1=O ZINC001303875371 1324623670 /nfs/dbraw/zinc/62/36/70/1324623670.db2.gz GOIDXOYEPAAIOC-GFCCVEGCSA-N 0 0 340.354 2.724 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(-c2ccccn2)[nH]c1=O ZINC001303877801 1324624264 /nfs/dbraw/zinc/62/42/64/1324624264.db2.gz HXTUOZWBZRMKPU-UHFFFAOYSA-N 0 0 339.326 2.624 10 10 EFCERN COC(=O)[C@H](CNC(=O)C1=CC(=O)CS1)C1CCCCCC1 ZINC001303946757 1324627177 /nfs/dbraw/zinc/62/71/77/1324627177.db2.gz WDEUYDWUFORABL-CYBMUJFWSA-N 0 0 325.430 2.943 10 10 EFCERN COC(=O)[C@@H](CNC(=O)C1=CC(=O)CS1)C1CCCCCC1 ZINC001303946758 1324627226 /nfs/dbraw/zinc/62/72/26/1324627226.db2.gz WDEUYDWUFORABL-ZDUSSCGKSA-N 0 0 325.430 2.943 10 10 EFCERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2c(O)cccc2O)c1F ZINC001304053975 1324634874 /nfs/dbraw/zinc/63/48/74/1324634874.db2.gz YPLOVLXQCRKDMB-UHFFFAOYSA-N 0 0 338.266 2.523 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001304053846 1324634914 /nfs/dbraw/zinc/63/49/14/1324634914.db2.gz UDRSBOMQTIFBPT-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN COc1cccc(Cl)c1CNC(=O)c1c(F)ccc(O)c1O ZINC001306825889 1324723229 /nfs/dbraw/zinc/72/32/29/1324723229.db2.gz FAAPHIQPFNGMCP-UHFFFAOYSA-N 0 0 325.723 2.829 10 10 EFCERN O=C(NCC(F)(F)c1cccc(F)c1)c1c(F)ccc(O)c1O ZINC001306872811 1324727687 /nfs/dbraw/zinc/72/76/87/1324727687.db2.gz RRCLSCMSJVGCCT-UHFFFAOYSA-N 0 0 329.249 2.898 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC001306937195 1324733671 /nfs/dbraw/zinc/73/36/71/1324733671.db2.gz KCKJGYCRANNEFL-GFCCVEGCSA-N 0 0 346.387 2.730 10 10 EFCERN C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752597784 1324760458 /nfs/dbraw/zinc/76/04/58/1324760458.db2.gz ZKOCBOLKDNSKAL-BENRWUELSA-N 0 0 342.351 2.768 10 10 EFCERN CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000901961143 1324763502 /nfs/dbraw/zinc/76/35/02/1324763502.db2.gz OTBJWSQVYWWDBR-WMZOPIPTSA-N 0 0 334.460 2.892 10 10 EFCERN COc1ccc(N2CC[NH+](C[C@H](O)CCC(C)C)CC2)c(OC)c1 ZINC001308014613 1324789046 /nfs/dbraw/zinc/78/90/46/1324789046.db2.gz SIHFOTZDZACVBC-MRXNPFEDSA-N 0 0 336.476 2.623 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000904014341 1324859761 /nfs/dbraw/zinc/85/97/61/1324859761.db2.gz QASVLBRXFXUXEV-MOEXGYKKSA-N 0 0 348.443 2.540 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)c1cnc(OCC2CC2)cn1 ZINC001323483521 1329546561 /nfs/dbraw/zinc/54/65/61/1329546561.db2.gz PJIGOQZSVDJABI-UHFFFAOYSA-N 0 0 345.746 2.707 10 10 EFCERN CN1CCN(c2ccc(CN3CC(CC(F)(F)F)C3)cc2F)CC1 ZINC001326788156 1330364705 /nfs/dbraw/zinc/36/47/05/1330364705.db2.gz YTLWUQJXFQCROW-UHFFFAOYSA-N 0 0 345.384 2.962 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC001327799153 1330517188 /nfs/dbraw/zinc/51/71/88/1330517188.db2.gz JRPAEIZFSCNMRX-KRWDZBQOSA-N 0 0 344.455 2.922 10 10 EFCERN Cc1cnc(C)nc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001327927127 1330531161 /nfs/dbraw/zinc/53/11/61/1330531161.db2.gz WMCTXSWSXAQBDO-UHFFFAOYSA-N 0 0 330.407 2.806 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC001328636363 1330610889 /nfs/dbraw/zinc/61/08/89/1330610889.db2.gz BXFBMCXDWZNZFR-QFBILLFUSA-N 0 0 346.471 2.939 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC001328636357 1330611081 /nfs/dbraw/zinc/61/10/81/1330611081.db2.gz BXFBMCXDWZNZFR-APWZRJJASA-N 0 0 346.471 2.939 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H](OCC)C(C)C)CC2)cc1 ZINC001328993479 1330653921 /nfs/dbraw/zinc/65/39/21/1330653921.db2.gz XVTMJWUBOXWFDQ-SFHVURJKSA-N 0 0 334.460 2.795 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3ccncc32)C1 ZINC001329010328 1330656570 /nfs/dbraw/zinc/65/65/70/1330656570.db2.gz BQSSNALSOCREFG-CQSZACIVSA-N 0 0 329.400 2.584 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2COc3cc(F)ccc3C2)cc1F ZINC001329211314 1330680951 /nfs/dbraw/zinc/68/09/51/1330680951.db2.gz WGPOFGYETACAJU-CQSZACIVSA-N 0 0 346.377 2.898 10 10 EFCERN C[C@@H](c1ccco1)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001329353018 1330697309 /nfs/dbraw/zinc/69/73/09/1330697309.db2.gz NWZXIYMMGMQIAY-LBPRGKRZSA-N 0 0 340.379 2.580 10 10 EFCERN CC(C)CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC001329405663 1330704171 /nfs/dbraw/zinc/70/41/71/1330704171.db2.gz XGEITNZEPIHTAC-UHFFFAOYSA-N 0 0 330.428 2.662 10 10 EFCERN O=C(C(=O)N1CCC[C@]2(CC=CCC2)C1)N1Cc2cccc(O)c2C1 ZINC001329422725 1330705832 /nfs/dbraw/zinc/70/58/32/1330705832.db2.gz QLNQHUGGAWDIJD-HXUWFJFHSA-N 0 0 340.423 2.583 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccns1 ZINC001331503551 1330844582 /nfs/dbraw/zinc/84/45/82/1330844582.db2.gz IZDCKAIUMSDTSR-CYBMUJFWSA-N 0 0 346.456 2.540 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC001331708452 1330868092 /nfs/dbraw/zinc/86/80/92/1330868092.db2.gz KAMPPOKNPCYYJJ-SFHVURJKSA-N 0 0 338.407 2.504 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001331981680 1330900558 /nfs/dbraw/zinc/90/05/58/1330900558.db2.gz IHQLCFHJNKXNPU-CWDCEQMOSA-N 0 0 331.441 2.508 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC001331983255 1330900898 /nfs/dbraw/zinc/90/08/98/1330900898.db2.gz PUYANRDNMCXSKE-RTLBZRNLSA-N 0 0 340.423 2.757 10 10 EFCERN C[C@@H](c1cccs1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332000512 1330902747 /nfs/dbraw/zinc/90/27/47/1330902747.db2.gz LYSUCIQGROVIPY-NSHDSACASA-N 0 0 330.409 2.516 10 10 EFCERN C[C@H](c1cccs1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332000510 1330902953 /nfs/dbraw/zinc/90/29/53/1330902953.db2.gz LYSUCIQGROVIPY-LLVKDONJSA-N 0 0 330.409 2.516 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@H]1C1CCC1 ZINC001332389706 1330966838 /nfs/dbraw/zinc/96/68/38/1330966838.db2.gz AHZQESJUDWOSFQ-INIZCTEOSA-N 0 0 330.428 2.532 10 10 EFCERN CCOC(=O)[C@@]1(F)C[N@H+](Cc2cccc(OC)c2O)C[C@@H]1CC ZINC001332739143 1331013476 /nfs/dbraw/zinc/01/34/76/1331013476.db2.gz PQRFEPTWGGWRBO-SUMWQHHRSA-N 0 0 325.380 2.514 10 10 EFCERN C[C@@H](NC(=O)C(=O)NCC1CCC=CCC1)c1ccc(N(C)C)cc1 ZINC001333428809 1331141694 /nfs/dbraw/zinc/14/16/94/1331141694.db2.gz MGXDQPHDHSGABB-OAHLLOKOSA-N 0 0 343.471 2.792 10 10 EFCERN C[C@H](NC(=O)C(=O)N1CCC[C@H](CCF)C1)c1ccc(N(C)C)cc1 ZINC001334123852 1331251742 /nfs/dbraw/zinc/25/17/42/1331251742.db2.gz VKPMPAWCSCRXBJ-LSDHHAIUSA-N 0 0 349.450 2.528 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccc3nc(C)oc3c2)ccc1O ZINC001344476390 1332457263 /nfs/dbraw/zinc/45/72/63/1332457263.db2.gz PMCADYVFPMDUQM-UHFFFAOYSA-N 0 0 334.353 2.651 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC001346343789 1332627307 /nfs/dbraw/zinc/62/73/07/1332627307.db2.gz BQCCUQYBQRQSEP-HNNXBMFYSA-N 0 0 331.460 2.853 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2([C@H]3CCCCO3)CCCO2)c1 ZINC001346452962 1332643345 /nfs/dbraw/zinc/64/33/45/1332643345.db2.gz ZZDXAOIAMCTXPB-IRWQIABSSA-N 0 0 349.427 2.696 10 10 EFCERN Cc1nn(C2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC001347220782 1332725278 /nfs/dbraw/zinc/72/52/78/1332725278.db2.gz DQISOFXWMIFEGN-UHFFFAOYSA-N 0 0 331.372 2.515 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCC[C@@](O)(C4CC4)C3)ccc21 ZINC001347239538 1332726984 /nfs/dbraw/zinc/72/69/84/1332726984.db2.gz YCRIWNNJSQUMEV-FQEVSTJZSA-N 0 0 343.471 2.516 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ncnc4scnc43)C2)cc1 ZINC001347252922 1332728707 /nfs/dbraw/zinc/72/87/07/1332728707.db2.gz LMLNHCRMKXUBEH-NSHDSACASA-N 0 0 327.413 2.786 10 10 EFCERN CCOc1ccc(OC(C)(C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001347530794 1332753081 /nfs/dbraw/zinc/75/30/81/1332753081.db2.gz IKHAJNZDUNJOPH-UHFFFAOYSA-N 0 0 345.395 2.970 10 10 EFCERN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)n1C ZINC001347644912 1332763379 /nfs/dbraw/zinc/76/33/79/1332763379.db2.gz IQUSKXLFIZMDKO-ZDUSSCGKSA-N 0 0 348.424 2.946 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCNc3ccccc3)C2)cc1 ZINC001347818190 1332775541 /nfs/dbraw/zinc/77/55/41/1332775541.db2.gz QXWBMHXWENPDNZ-KRWDZBQOSA-N 0 0 339.439 2.892 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@@H]2C)c1 ZINC001347852864 1332778095 /nfs/dbraw/zinc/77/80/95/1332778095.db2.gz XXPYTOAKEOHOBF-IIAWOOMASA-N 0 0 342.443 2.985 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001347998483 1332791794 /nfs/dbraw/zinc/79/17/94/1332791794.db2.gz MWSOFFPEDLRLDJ-MRXNPFEDSA-N 0 0 340.395 2.998 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001347998482 1332791970 /nfs/dbraw/zinc/79/19/70/1332791970.db2.gz MWSOFFPEDLRLDJ-INIZCTEOSA-N 0 0 340.395 2.998 10 10 EFCERN CC(=O)c1ccc(OCCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001348035510 1332794858 /nfs/dbraw/zinc/79/48/58/1332794858.db2.gz JOPNRVPJHLWKCU-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001348035549 1332794950 /nfs/dbraw/zinc/79/49/50/1332794950.db2.gz KULZKPXUBXEPGE-INIZCTEOSA-N 0 0 343.379 2.586 10 10 EFCERN CN1CCCc2cc(CNC(=O)Cn3ccc(C(F)F)n3)ccc21 ZINC001348133779 1332802407 /nfs/dbraw/zinc/80/24/07/1332802407.db2.gz HNPWDFKXLLFXPZ-UHFFFAOYSA-N 0 0 334.370 2.520 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@]1(CO)c1ccccc1 ZINC001348730575 1332863472 /nfs/dbraw/zinc/86/34/72/1332863472.db2.gz ZUYJJEYQKCTDFV-WSCHBXBGSA-N 0 0 339.391 2.621 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001349079856 1332903361 /nfs/dbraw/zinc/90/33/61/1332903361.db2.gz UMZDPQPGNIMYKR-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN CN(C)Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001349117938 1332907065 /nfs/dbraw/zinc/90/70/65/1332907065.db2.gz LTHUSPDIBJVOBW-UHFFFAOYSA-N 0 0 342.443 2.609 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2nccnc2c1 ZINC001349119890 1332907368 /nfs/dbraw/zinc/90/73/68/1332907368.db2.gz VXVJXFBTIQNKNF-UHFFFAOYSA-N 0 0 347.422 2.897 10 10 EFCERN C[C@H](NC(=O)[C@]1(N(C)C)COc2ccccc2C1)c1ccccc1O ZINC001350223891 1333051101 /nfs/dbraw/zinc/05/11/01/1333051101.db2.gz NFQJIGPKYKGNIY-VBKZILBWSA-N 0 0 340.423 2.505 10 10 EFCERN CCOc1ccc(C(=O)CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001350299449 1333060388 /nfs/dbraw/zinc/06/03/88/1333060388.db2.gz AIHNPCBJVYNNOC-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001350981047 1333162742 /nfs/dbraw/zinc/16/27/42/1333162742.db2.gz RXQAFNQSPWXLPA-STQMWFEESA-N 0 0 341.502 2.836 10 10 EFCERN CCC(=O)N1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351163670 1333188455 /nfs/dbraw/zinc/18/84/55/1333188455.db2.gz QUTJCPZBQOWIPA-KRWDZBQOSA-N 0 0 343.471 2.504 10 10 EFCERN CC(C)N1C(=O)CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351673251 1333267232 /nfs/dbraw/zinc/26/72/32/1333267232.db2.gz KFQNMUPYLJCJNI-SFHVURJKSA-N 0 0 343.471 2.645 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(Cl)ccnc3F)C2)cc1 ZINC001352422892 1333527882 /nfs/dbraw/zinc/52/78/82/1333527882.db2.gz FIVNFISLHQQKFE-NSHDSACASA-N 0 0 349.793 2.891 10 10 EFCERN CN(C(=O)/C=C\c1cn(C)cn1)c1cccc(OC(F)(F)F)c1 ZINC001352646680 1333650152 /nfs/dbraw/zinc/65/01/52/1333650152.db2.gz ZWVDJTJWFRWAHE-SREVYHEPSA-N 0 0 325.290 2.995 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000847397634 1333658920 /nfs/dbraw/zinc/65/89/20/1333658920.db2.gz SWMULNNJKLAVEE-HOCLYGCPSA-N 0 0 334.416 2.548 10 10 EFCERN COc1ccc(CNC(=O)NCc2cccc(C)c2OC)c(O)c1 ZINC000847418157 1333684841 /nfs/dbraw/zinc/68/48/41/1333684841.db2.gz YZQORHMAULOIDN-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN CC1=NO[C@@](C)(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001354578310 1334386772 /nfs/dbraw/zinc/38/67/72/1334386772.db2.gz WATXNXVVEKMWNM-HXUWFJFHSA-N 0 0 348.358 2.955 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(O)c1O ZINC000848347949 1334680294 /nfs/dbraw/zinc/68/02/94/1334680294.db2.gz VILIOEBLGKPBMC-ONGXEEELSA-N 0 0 333.306 2.636 10 10 EFCERN COCC1([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848540651 1334784769 /nfs/dbraw/zinc/78/47/69/1334784769.db2.gz QFEJPQCFOFEJLV-SECBINFHSA-N 0 0 330.222 2.993 10 10 EFCERN COc1ccc(N2CC[C@@H](CNc3ncnc(C)c3OC)C2)cc1 ZINC000848727837 1334863683 /nfs/dbraw/zinc/86/36/83/1334863683.db2.gz JQWGKPXMRRVKAN-AWEZNQCLSA-N 0 0 328.416 2.741 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)[C@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000848777149 1334891654 /nfs/dbraw/zinc/89/16/54/1334891654.db2.gz NXHVUMYFHQXZJQ-BJPMOSCESA-N 0 0 346.343 2.670 10 10 EFCERN CCc1cccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000848888925 1334964519 /nfs/dbraw/zinc/96/45/19/1334964519.db2.gz DGHJVOHMQGSBPY-DLBZAZTESA-N 0 0 331.412 2.872 10 10 EFCERN CCc1cccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000848888928 1334964593 /nfs/dbraw/zinc/96/45/93/1334964593.db2.gz DGHJVOHMQGSBPY-SJORKVTESA-N 0 0 331.412 2.872 10 10 EFCERN Cc1cccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1O ZINC000848923854 1334988813 /nfs/dbraw/zinc/98/88/13/1334988813.db2.gz KDRKKRXDSTZCSB-LJQANCHMSA-N 0 0 339.395 2.710 10 10 EFCERN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923265 1334989467 /nfs/dbraw/zinc/98/94/67/1334989467.db2.gz HLTBGPUFPGRRKL-SDDRHHMPSA-N 0 0 330.831 2.772 10 10 EFCERN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923267 1334989923 /nfs/dbraw/zinc/98/99/23/1334989923.db2.gz HLTBGPUFPGRRKL-UTUOFQBUSA-N 0 0 330.831 2.772 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccc3ncn(C)c32)cc1F ZINC001356250486 1335001572 /nfs/dbraw/zinc/00/15/72/1335001572.db2.gz HLWVWFJXIJAUNH-UHFFFAOYSA-N 0 0 326.375 2.708 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2coc(-c3cccnc3)n2)cc1F ZINC001357199457 1335290979 /nfs/dbraw/zinc/29/09/79/1335290979.db2.gz BHBIDVJXQTULKB-UHFFFAOYSA-N 0 0 340.358 2.872 10 10 EFCERN COC1CC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001357323093 1335300574 /nfs/dbraw/zinc/30/05/74/1335300574.db2.gz HBFMWJUTSYKQGM-UHFFFAOYSA-N 0 0 335.359 2.826 10 10 EFCERN CCc1ncc(Cl)c(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC001358004380 1335353703 /nfs/dbraw/zinc/35/37/03/1335353703.db2.gz QBKCLFWKXNALER-UHFFFAOYSA-N 0 0 336.798 2.828 10 10 EFCERN CCCCCC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001358067475 1335358699 /nfs/dbraw/zinc/35/86/99/1335358699.db2.gz GXTLSVSEDZQOIZ-GFCCVEGCSA-N 0 0 347.419 2.664 10 10 EFCERN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Br)cn1 ZINC001358339963 1335372756 /nfs/dbraw/zinc/37/27/56/1335372756.db2.gz RJLVUFINOIZXDH-FNORWQNLSA-N 0 0 335.205 2.644 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000935943860 1335464206 /nfs/dbraw/zinc/46/42/06/1335464206.db2.gz GPKULQUJGXAJIW-NSHDSACASA-N 0 0 334.416 2.656 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000935945531 1335464383 /nfs/dbraw/zinc/46/43/83/1335464383.db2.gz AZKIYJLZBOLNEE-OAHLLOKOSA-N 0 0 340.803 2.881 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000935946188 1335464715 /nfs/dbraw/zinc/46/47/15/1335464715.db2.gz AQQQRGAPISCKKC-HSZRJFAPSA-N 0 0 338.425 2.545 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC000935945626 1335464717 /nfs/dbraw/zinc/46/47/17/1335464717.db2.gz DUNMCUHAOMVFSV-HNNXBMFYSA-N 0 0 332.396 2.806 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCc3cccs3)C2)cc1 ZINC000849225500 1335571563 /nfs/dbraw/zinc/57/15/63/1335571563.db2.gz VQKSBXVNZCHEQX-AWEZNQCLSA-N 0 0 345.468 2.877 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=S)NC(C3CC3)C3CC3)C2)cc1 ZINC000849270835 1335584761 /nfs/dbraw/zinc/58/47/61/1335584761.db2.gz QQNNYSTYJJLRTA-OAHLLOKOSA-N 0 0 345.512 2.927 10 10 EFCERN COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000849349668 1335596976 /nfs/dbraw/zinc/59/69/76/1335596976.db2.gz HJFFWKHVIGNLOR-WMZOPIPTSA-N 0 0 330.403 2.775 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N3CC4CC3(C4)C2=O)cc1F ZINC000849353689 1335597273 /nfs/dbraw/zinc/59/72/73/1335597273.db2.gz HYNQRGNLAXQWBQ-UHFFFAOYSA-N 0 0 331.391 2.599 10 10 EFCERN COc1ccc(N2CC[C@H](N3C(=O)NC4(CCCCC4)C3=O)C2)cc1 ZINC000849358471 1335598026 /nfs/dbraw/zinc/59/80/26/1335598026.db2.gz WONIMJHPKBJIHX-HNNXBMFYSA-N 0 0 343.427 2.529 10 10 EFCERN C[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1(F)F ZINC000849363153 1335598626 /nfs/dbraw/zinc/59/86/26/1335598626.db2.gz FCZUTBIIWFSZNA-AWEZNQCLSA-N 0 0 344.745 2.855 10 10 EFCERN COc1ccc(N2CC[C@@H](NS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000849416524 1335610875 /nfs/dbraw/zinc/61/08/75/1335610875.db2.gz RPLCRRLVULBGPY-CQSZACIVSA-N 0 0 338.473 2.526 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(OC(F)F)nc1 ZINC001360273420 1335938243 /nfs/dbraw/zinc/93/82/43/1335938243.db2.gz KWAVZTRKALPQDZ-UHFFFAOYSA-N 0 0 335.354 2.987 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncc(Cl)cn1 ZINC001436844503 1387334293 /nfs/dbraw/zinc/33/42/93/1387334293.db2.gz CVJLEWWVNYHLQA-GFCCVEGCSA-N 0 0 332.835 2.865 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COc2ccccc2C)cc1 ZINC001437382489 1387596021 /nfs/dbraw/zinc/59/60/21/1387596021.db2.gz GOIZXXUGLZNRGQ-UHFFFAOYSA-N 0 0 342.439 2.977 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C[C@H](OC)C2)CCCC1 ZINC001438165575 1388394324 /nfs/dbraw/zinc/39/43/24/1388394324.db2.gz PJMRUVVRBWUSCO-CTYIDZIISA-N 0 0 342.439 2.822 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC001545933764 1389758307 /nfs/dbraw/zinc/75/83/07/1389758307.db2.gz WVNSPXVOTVJTAU-UHFFFAOYSA-N 0 0 340.265 2.860 10 10 EFCERN Cc1[nH]c(=O)ccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440711189 1389831862 /nfs/dbraw/zinc/83/18/62/1389831862.db2.gz ABYRWXOBLVFBRI-UHFFFAOYSA-N 0 0 325.412 2.968 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001440716351 1389833017 /nfs/dbraw/zinc/83/30/17/1389833017.db2.gz WICZXJMRZDFSEA-FQEVSTJZSA-N 0 0 343.471 2.694 10 10 EFCERN CN(C)C(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001440748061 1389867424 /nfs/dbraw/zinc/86/74/24/1389867424.db2.gz QRMNMVNVLYJXLW-UHFFFAOYSA-N 0 0 339.355 2.803 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC001440842981 1389942764 /nfs/dbraw/zinc/94/27/64/1389942764.db2.gz KZWGXMBCXQHHEU-UHFFFAOYSA-N 0 0 341.367 2.563 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2n[nH]c(C)n2)cc1 ZINC001443208540 1391449668 /nfs/dbraw/zinc/44/96/68/1391449668.db2.gz UYTGTFZRVODZNP-UHFFFAOYSA-N 0 0 337.383 2.514 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1c(C(F)F)nc2ccccn21 ZINC001445939390 1391543965 /nfs/dbraw/zinc/54/39/65/1391543965.db2.gz RCXFRKBOEDBVHS-UHFFFAOYSA-N 0 0 347.321 2.656 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1nnc[nH]1 ZINC001446808510 1391609085 /nfs/dbraw/zinc/60/90/85/1391609085.db2.gz XOVRKWACWCMTJW-CQSZACIVSA-N 0 0 336.395 2.843 10 10 EFCERN Cc1ccc(C(=O)NCc2ccnc(C(F)(F)F)c2)c(O)c1O ZINC001449830187 1392400341 /nfs/dbraw/zinc/40/03/41/1392400341.db2.gz GEJRWCFENUAYNW-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2nccc(C(F)F)n2)cc1 ZINC001450646340 1392678243 /nfs/dbraw/zinc/67/82/43/1392678243.db2.gz KXPVZGXDIDHLAJ-UHFFFAOYSA-N 0 0 334.286 2.507 10 10 EFCERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(O)ccc1O ZINC001455349111 1394591933 /nfs/dbraw/zinc/59/19/33/1394591933.db2.gz ORWBWDJDZZIRMC-SNVBAGLBSA-N 0 0 348.380 2.803 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OCC(F)(F)F)o1 ZINC001455351528 1394592634 /nfs/dbraw/zinc/59/26/34/1394592634.db2.gz GGZSTAGIAPFXQP-UHFFFAOYSA-N 0 0 331.246 2.562 10 10 EFCERN COc1ccc(OC(C)(C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001455351636 1394592678 /nfs/dbraw/zinc/59/26/78/1394592678.db2.gz GUSUJCVOPCTUJQ-UHFFFAOYSA-N 0 0 331.368 2.580 10 10 EFCERN Cc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccc(C)cc1 ZINC001455355555 1394593574 /nfs/dbraw/zinc/59/35/74/1394593574.db2.gz CSKUVEWWBSARQL-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(O)ccc1O ZINC001455357452 1394593840 /nfs/dbraw/zinc/59/38/40/1394593840.db2.gz RBTIMSNAUXXUQD-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN Cc1nc(C(=O)NCc2cc(O)ccc2O)sc1Br ZINC001455355324 1394593861 /nfs/dbraw/zinc/59/38/61/1394593861.db2.gz SWDNWXOMIGQNHL-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1cc2c(s1)CCCC2 ZINC001456577745 1394719201 /nfs/dbraw/zinc/71/92/01/1394719201.db2.gz PQPSWTNFUPFXHY-UHFFFAOYSA-N 0 0 345.420 2.580 10 10 EFCERN Cc1cc(C(=O)NCc2cc(C)c[nH]c2=O)c(C)n1-c1ccccn1 ZINC001456799256 1394814911 /nfs/dbraw/zinc/81/49/11/1394814911.db2.gz PXRLXPQJHBKKPL-UHFFFAOYSA-N 0 0 336.395 2.828 10 10 EFCERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1nccn1-c1ccccc1 ZINC001457860729 1395370110 /nfs/dbraw/zinc/37/01/10/1395370110.db2.gz RCYKJYFMEBCVQK-NSHDSACASA-N 0 0 341.342 2.914 10 10 EFCERN Nc1nc(Cl)c(N)c(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001458286754 1395438706 /nfs/dbraw/zinc/43/87/06/1395438706.db2.gz MCHMPIVSIGFRGB-UHFFFAOYSA-N 0 0 345.790 2.800 10 10 EFCERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1c(O)cccc1O ZINC001458646300 1395537330 /nfs/dbraw/zinc/53/73/30/1395537330.db2.gz VSOBMGJSXIPIGU-UHFFFAOYSA-N 0 0 329.287 2.727 10 10 EFCERN COc1cc2c(cc1C(=O)Nc1c3nonc3ccc1Cl)OCO2 ZINC001459787918 1395983506 /nfs/dbraw/zinc/98/35/06/1395983506.db2.gz IEUYVTDVVVBKFM-UHFFFAOYSA-N 0 0 347.714 2.866 10 10 EFCERN CC(=O)NCc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001459788234 1395983610 /nfs/dbraw/zinc/98/36/10/1395983610.db2.gz JTWYZTORNMACSK-UHFFFAOYSA-N 0 0 344.758 2.765 10 10 EFCERN COC(=O)[C@H]1C[C@@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001462080656 1396420019 /nfs/dbraw/zinc/42/00/19/1396420019.db2.gz AVCLNSQIYHZRID-IYBDPMFKSA-N 0 0 340.423 2.910 10 10 EFCERN Cc1cc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)[nH]n1 ZINC001464259595 1396561363 /nfs/dbraw/zinc/56/13/63/1396561363.db2.gz JSWVJWSADWSAPK-UHFFFAOYSA-N 0 0 344.484 2.520 10 10 EFCERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001464268164 1396562149 /nfs/dbraw/zinc/56/21/49/1396562149.db2.gz AXNRTJQJLSCGPE-JTQLQIEISA-N 0 0 337.372 2.773 10 10 EFCERN COCCOc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001464331407 1396566093 /nfs/dbraw/zinc/56/60/93/1396566093.db2.gz LILVEZVJKFWNRU-UHFFFAOYSA-N 0 0 331.368 2.613 10 10 EFCERN CCc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001464656088 1396594541 /nfs/dbraw/zinc/59/45/41/1396594541.db2.gz IMAWQMUIKDYOSA-OAHLLOKOSA-N 0 0 327.380 2.843 10 10 EFCERN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1C(=O)NC(C)C ZINC001464996599 1396638096 /nfs/dbraw/zinc/63/80/96/1396638096.db2.gz QJSCSTTWPKNELO-UHFFFAOYSA-N 0 0 328.368 2.797 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2nnc(C3CC3)[nH]2)cc1F ZINC001465002366 1396640347 /nfs/dbraw/zinc/64/03/47/1396640347.db2.gz GTONIJHPFIRYRL-UHFFFAOYSA-N 0 0 345.422 2.526 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc(C)c1 ZINC001546151873 1396649651 /nfs/dbraw/zinc/64/96/51/1396649651.db2.gz KIFLGCFXUBPBKS-UHFFFAOYSA-N 0 0 348.786 2.564 10 10 EFCERN Cn1ccc(=O)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC001465840722 1396715575 /nfs/dbraw/zinc/71/55/75/1396715575.db2.gz IALCHDFOVBTHQS-UHFFFAOYSA-N 0 0 338.363 2.527 10 10 EFCERN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465986928 1396727771 /nfs/dbraw/zinc/72/77/71/1396727771.db2.gz VLHSREGORHFMOH-NSHDSACASA-N 0 0 326.356 2.916 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2s1 ZINC001465981715 1396728110 /nfs/dbraw/zinc/72/81/10/1396728110.db2.gz SJCHAEZJHRUEBN-UHFFFAOYSA-N 0 0 345.376 2.696 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C)n(-c3ccon3)c2C)c1O ZINC001465993833 1396729764 /nfs/dbraw/zinc/72/97/64/1396729764.db2.gz XLQCPBDPEIFBSU-UHFFFAOYSA-N 0 0 341.367 2.726 10 10 EFCERN C[S@](=O)Cc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001466747125 1396779710 /nfs/dbraw/zinc/77/97/10/1396779710.db2.gz OHGVQGGVHRQCJJ-WCYCAPIHSA-N 0 0 331.393 2.628 10 10 EFCERN C=CC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC001466790105 1396785573 /nfs/dbraw/zinc/78/55/73/1396785573.db2.gz BXLBGRRIMKBSGV-GFCCVEGCSA-N 0 0 340.379 2.583 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)CCc2ccccc2)cc1 ZINC001466824202 1396787472 /nfs/dbraw/zinc/78/74/72/1396787472.db2.gz AHGKQVSBAKIDFW-INIZCTEOSA-N 0 0 340.383 2.573 10 10 EFCERN Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001467445700 1396856911 /nfs/dbraw/zinc/85/69/11/1396856911.db2.gz MJAUUVKEZNXBMT-INIZCTEOSA-N 0 0 340.383 2.929 10 10 EFCERN COc1ccc(CNC(=O)c2c(C)nc(C3CC3)[nH]c2=S)c(O)c1 ZINC001467471507 1396860032 /nfs/dbraw/zinc/86/00/32/1396860032.db2.gz HGJVQRUTWHDNCU-UHFFFAOYSA-N 0 0 345.424 2.595 10 10 EFCERN C[C@H]1CN(c2ccccc2F)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001467734799 1396889908 /nfs/dbraw/zinc/88/99/08/1396889908.db2.gz GXAKTMUZTKMHTK-ZDUSSCGKSA-N 0 0 344.386 2.517 10 10 EFCERN O=C(Nc1ccccc1[C@H](O)c1ccccn1)c1cccc(O)c1O ZINC001467755124 1396892816 /nfs/dbraw/zinc/89/28/16/1396892816.db2.gz PFDYMSHJFQBGPN-KRWDZBQOSA-N 0 0 336.347 2.827 10 10 EFCERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001467769340 1396895758 /nfs/dbraw/zinc/89/57/58/1396895758.db2.gz AGAOUSPNAXUFAR-ZJUUUORDSA-N 0 0 343.391 2.972 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001467841419 1396903567 /nfs/dbraw/zinc/90/35/67/1396903567.db2.gz XHPAAOBEIBIJFB-UHFFFAOYSA-N 0 0 339.319 2.855 10 10 EFCERN Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001467883283 1396905286 /nfs/dbraw/zinc/90/52/86/1396905286.db2.gz OSXXHABUWILTRR-CYBMUJFWSA-N 0 0 342.359 2.908 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ncc(-c2cccnc2)s1 ZINC001467915764 1396908739 /nfs/dbraw/zinc/90/87/39/1396908739.db2.gz UYONVHNNVNSYMO-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN COc1ccncc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468352011 1396948998 /nfs/dbraw/zinc/94/89/98/1396948998.db2.gz VBYYHFQTENBPLQ-UHFFFAOYSA-N 0 0 330.365 2.646 10 10 EFCERN Cn1ncc2ccc(CNC(=O)c3ccc(N=NC(N)=O)cc3)cc21 ZINC001468373880 1396950867 /nfs/dbraw/zinc/95/08/67/1396950867.db2.gz PRWUSWNFMSOBMV-UHFFFAOYSA-N 0 0 336.355 2.666 10 10 EFCERN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)Cc2ccccc2O1 ZINC001468627474 1396974120 /nfs/dbraw/zinc/97/41/20/1396974120.db2.gz UQZXZAZDUIHRFT-UHFFFAOYSA-N 0 0 327.380 2.840 10 10 EFCERN COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(O)cc3O)cc21 ZINC001469163719 1397008033 /nfs/dbraw/zinc/00/80/33/1397008033.db2.gz TYXJMVUPVYPOKU-UHFFFAOYSA-N 0 0 330.315 2.657 10 10 EFCERN C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001469225317 1397012853 /nfs/dbraw/zinc/01/28/53/1397012853.db2.gz STABUSMVDFDKTD-PXAZEXFGSA-N 0 0 349.427 2.609 10 10 EFCERN Cc1nc(CCC(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001469247653 1397014811 /nfs/dbraw/zinc/01/48/11/1397014811.db2.gz DHJQPDYQKPVTLF-UHFFFAOYSA-N 0 0 327.409 2.954 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1-c1ccncc1 ZINC001469248470 1397015169 /nfs/dbraw/zinc/01/51/69/1397015169.db2.gz IKIBCMXWLYNTJA-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1coc(-c2cccnc2)n1 ZINC001469250157 1397015958 /nfs/dbraw/zinc/01/59/58/1397015958.db2.gz RPYPEEKGBHEGKN-UHFFFAOYSA-N 0 0 346.346 2.920 10 10 EFCERN Cn1nc(C(=O)NCc2ccc3cccnc3c2O)c2ccccc21 ZINC001469251161 1397016118 /nfs/dbraw/zinc/01/61/18/1397016118.db2.gz YTTIGEDFRLPKIT-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN CCN(OC)C(=O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001469390426 1397027967 /nfs/dbraw/zinc/02/79/67/1397027967.db2.gz VXRUODAMODSWAP-UHFFFAOYSA-N 0 0 343.427 2.542 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC001469538621 1397036377 /nfs/dbraw/zinc/03/63/77/1397036377.db2.gz VGJXSFOTZUEZAY-QCZZGDTMSA-N 0 0 326.824 2.904 10 10 EFCERN Cc1cc(CNC(=O)NCc2cccnn2)c(C)n1-c1ccccc1 ZINC001469966954 1397062067 /nfs/dbraw/zinc/06/20/67/1397062067.db2.gz GLRQHXQCGAWNOL-UHFFFAOYSA-N 0 0 335.411 2.884 10 10 EFCERN COc1cccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001470347999 1397087976 /nfs/dbraw/zinc/08/79/76/1397087976.db2.gz VHXLTIWFYVXQFZ-UHFFFAOYSA-N 0 0 344.392 2.689 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)c1ccc(F)cc1 ZINC001470470702 1397091657 /nfs/dbraw/zinc/09/16/57/1397091657.db2.gz FNJYQTJUTYWEMT-UHFFFAOYSA-N 0 0 325.286 2.688 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](O)C(C)C ZINC001470556430 1397098324 /nfs/dbraw/zinc/09/83/24/1397098324.db2.gz VALFHLBIUBNQMN-CRAIPNDOSA-N 0 0 335.492 2.698 10 10 EFCERN CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC001471017461 1397133774 /nfs/dbraw/zinc/13/37/74/1397133774.db2.gz KELYPURLWPGQBY-KRWDZBQOSA-N 0 0 328.412 2.910 10 10 EFCERN COc1ccc(CNC(=O)NCc2ccc3cccnc3c2)c(O)c1 ZINC001471046493 1397136054 /nfs/dbraw/zinc/13/60/54/1397136054.db2.gz PVTJJVFRCHNJAN-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN O=C(NCc1noc2ccc(F)cc21)NCc1c(O)cccc1F ZINC001471126246 1397143782 /nfs/dbraw/zinc/14/37/82/1397143782.db2.gz FWPOGOJUTODCPU-UHFFFAOYSA-N 0 0 333.294 2.811 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c(O)c1O ZINC001471527183 1397182295 /nfs/dbraw/zinc/18/22/95/1397182295.db2.gz SCCXCXZGGARJFU-INIZCTEOSA-N 0 0 337.379 2.774 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001471661722 1397194614 /nfs/dbraw/zinc/19/46/14/1397194614.db2.gz ZWSVYFQVBRQEDU-BDJLRTHQSA-N 0 0 340.379 2.622 10 10 EFCERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(O)ccc1O ZINC001471661088 1397194661 /nfs/dbraw/zinc/19/46/61/1397194661.db2.gz HJJZDZGMVANSGO-CYBMUJFWSA-N 0 0 344.367 2.891 10 10 EFCERN C/C=C\c1ccc(OCC(=O)NCc2cc(O)ccc2O)c(OC)c1 ZINC001471660584 1397194665 /nfs/dbraw/zinc/19/46/65/1397194665.db2.gz DFXCMSILAQOONY-ARJAWSKDSA-N 0 0 343.379 2.835 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001471660624 1397195067 /nfs/dbraw/zinc/19/50/67/1397195067.db2.gz FRAQRQZJPAGVIH-KRWDZBQOSA-N 0 0 343.379 2.586 10 10 EFCERN CCn1ncc(C(=O)NCc2cc(O)ccc2O)c1-c1ccccc1 ZINC001471662335 1397195186 /nfs/dbraw/zinc/19/51/86/1397195186.db2.gz ZIWSXNDPGYZDGA-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN Cc1cc(CO)cc(C)c1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001471949359 1397225272 /nfs/dbraw/zinc/22/52/72/1397225272.db2.gz YAGDJCIAHDHUBG-XQRVVYSFSA-N 0 0 327.380 2.537 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccc(Br)n1 ZINC001471975758 1397229609 /nfs/dbraw/zinc/22/96/09/1397229609.db2.gz GDQDIFNITISLKN-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(O)cccc1F ZINC001471975674 1397229691 /nfs/dbraw/zinc/22/96/91/1397229691.db2.gz CMCQTGLCRPPEPF-UHFFFAOYSA-N 0 0 334.303 2.768 10 10 EFCERN COc1ccc([S@](C)(=O)=NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001471989500 1397231982 /nfs/dbraw/zinc/23/19/82/1397231982.db2.gz OWVREVJOPLGLSO-OXRIVWDXSA-N 0 0 347.392 2.803 10 10 EFCERN O=C(CCOC1CCOCC1)NCc1c(O)ccc2ccccc21 ZINC001472085190 1397244560 /nfs/dbraw/zinc/24/45/60/1397244560.db2.gz MPVFSOYIIRFNOK-UHFFFAOYSA-N 0 0 329.396 2.747 10 10 EFCERN NC(=O)c1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001472085435 1397245195 /nfs/dbraw/zinc/24/51/95/1397245195.db2.gz SUFOSMQFGIVIDQ-UHFFFAOYSA-N 0 0 334.375 2.503 10 10 EFCERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cc(F)ccc1N(C)C ZINC001472633970 1397263736 /nfs/dbraw/zinc/26/37/36/1397263736.db2.gz JZEGAUJKOJALOI-VIFPVBQESA-N 0 0 336.338 2.933 10 10 EFCERN COc1cc(N(C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC001472735503 1397268979 /nfs/dbraw/zinc/26/89/79/1397268979.db2.gz QCBQRGYZDYQOCP-UHFFFAOYSA-N 0 0 334.376 2.643 10 10 EFCERN COC(=O)c1cc(OC[C@H]2CCCC[C@H]2C(=O)OC)ccc1N(C)C ZINC001473077391 1397281000 /nfs/dbraw/zinc/28/10/00/1397281000.db2.gz SCYPYLJATDKVEP-UKRRQHHQSA-N 0 0 349.427 2.897 10 10 EFCERN CCOc1ccc(N2CCN(Cc3cccc(N(C)C)n3)CC2)cc1 ZINC001473294999 1397293735 /nfs/dbraw/zinc/29/37/35/1397293735.db2.gz AIIXRTMIGFUSER-UHFFFAOYSA-N 0 0 340.471 2.869 10 10 EFCERN CN(Cc1nnc(-c2cccc(O)c2)o1)c1ccc2c(c1)OCO2 ZINC001473284613 1397293783 /nfs/dbraw/zinc/29/37/83/1397293783.db2.gz MSXKLCHNNWVCPN-UHFFFAOYSA-N 0 0 325.324 2.807 10 10 EFCERN CC(=O)N(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001478990717 1397599635 /nfs/dbraw/zinc/59/96/35/1397599635.db2.gz LTRMXQMTQPIBSA-UHFFFAOYSA-N 0 0 345.374 2.513 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1c2ccccc2OC[C@H]1F ZINC001479304105 1397674042 /nfs/dbraw/zinc/67/40/42/1397674042.db2.gz BDPZNTBQULZDMM-CJNGLKHVSA-N 0 0 334.322 2.802 10 10 EFCERN O=C(NCc1cccc2c1OCC2)NCc1cccc(Cl)c1O ZINC001479413650 1397719159 /nfs/dbraw/zinc/71/91/59/1397719159.db2.gz ZBTGPJNNGKCAIQ-UHFFFAOYSA-N 0 0 332.787 2.980 10 10 EFCERN CC[C@H](C)C(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001495573201 1400091870 /nfs/dbraw/zinc/09/18/70/1400091870.db2.gz ZUZHXSWYWOTVAS-NWDGAFQWSA-N 0 0 347.419 2.520 10 10 EFCERN CCCCC(=O)N[C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499162168 1402503997 /nfs/dbraw/zinc/50/39/97/1402503997.db2.gz ALOCZXPWUZBBOR-CYBMUJFWSA-N 0 0 347.419 2.664 10 10 EFCERN C[C@H](CNC(=O)CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001502392942 1404134334 /nfs/dbraw/zinc/13/43/34/1404134334.db2.gz GMVRMOYMXDZSEN-LLVKDONJSA-N 0 0 347.419 2.520 10 10 EFCERN Cc1noc(C)c1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001511939142 1413205523 /nfs/dbraw/zinc/20/55/23/1413205523.db2.gz CTPXGRSGJVYUBM-UHFFFAOYSA-N 0 0 327.388 2.582 10 10 EFCERN CC[C@@](C)(O)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001512649772 1413514228 /nfs/dbraw/zinc/51/42/28/1413514228.db2.gz RKWXBXRYQNTWNV-GOSISDBHSA-N 0 0 332.448 2.905 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCC[C@@H]1C ZINC001513796714 1413646678 /nfs/dbraw/zinc/64/66/78/1413646678.db2.gz JRGPAFZWASYMMM-LIRRHRJNSA-N 0 0 344.459 2.734 10 10 EFCERN CON(C)c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001555759426 1415042296 /nfs/dbraw/zinc/04/22/96/1415042296.db2.gz IGLLNHAXURFLHB-UHFFFAOYSA-N 0 0 329.448 2.830 10 10 EFCERN Cn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C(F)(F)F)n1 ZINC001556118963 1415053798 /nfs/dbraw/zinc/05/37/98/1415053798.db2.gz NSBHWACFZIWUCK-UHFFFAOYSA-N 0 0 340.265 2.854 10 10 EFCERN COc1nc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2s1 ZINC001556379506 1415066515 /nfs/dbraw/zinc/06/65/15/1415066515.db2.gz ACBAWROKITVTPD-UHFFFAOYSA-N 0 0 330.365 2.897 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC001556515817 1415073997 /nfs/dbraw/zinc/07/39/97/1415073997.db2.gz NQURBVODJSYPRZ-GOSISDBHSA-N 0 0 326.433 2.825 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)N1CCc2ccccc21 ZINC001556515681 1415074130 /nfs/dbraw/zinc/07/41/30/1415074130.db2.gz IAWDPJZOKCWLTN-CQSZACIVSA-N 0 0 345.439 2.945 10 10 EFCERN CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556756623 1415087324 /nfs/dbraw/zinc/08/73/24/1415087324.db2.gz WTJBCXCLAIPAKK-KRWDZBQOSA-N 0 0 332.404 2.720 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2cccc(O)c21 ZINC001557122842 1415107129 /nfs/dbraw/zinc/10/71/29/1415107129.db2.gz JZRZVFOEOVDGTE-HNNXBMFYSA-N 0 0 334.375 2.992 10 10 EFCERN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CC=CC1 ZINC001557267522 1415116845 /nfs/dbraw/zinc/11/68/45/1415116845.db2.gz RTQNPLSHDVMPRW-HNNXBMFYSA-N 0 0 344.415 2.932 10 10 EFCERN CO[C@@](C)(CO)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001557293981 1415118176 /nfs/dbraw/zinc/11/81/76/1415118176.db2.gz MDVLGPPYEJWWPV-HXUWFJFHSA-N 0 0 344.455 2.838 10 10 EFCERN COC[C@H]1CCCN1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001557563749 1415131956 /nfs/dbraw/zinc/13/19/56/1415131956.db2.gz YKWBIUGDPLPAJM-GOSISDBHSA-N 0 0 327.428 2.850 10 10 EFCERN C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21)c1ccccc1O ZINC001557969397 1415153061 /nfs/dbraw/zinc/15/30/61/1415153061.db2.gz ULTGTDWCASHCJJ-IINYFYTJSA-N 0 0 328.343 2.835 10 10 EFCERN C[C@@H](NC(=O)c1c(C(F)F)nc2cnccn21)c1ccccc1O ZINC001557966878 1415153319 /nfs/dbraw/zinc/15/33/19/1415153319.db2.gz RSJGGFSCTDIFJF-SECBINFHSA-N 0 0 332.310 2.864 10 10 EFCERN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3cccc(O)c3O)cc2C1 ZINC001558161111 1415163221 /nfs/dbraw/zinc/16/32/21/1415163221.db2.gz GVMDQTKIVUZMMG-NSHDSACASA-N 0 0 342.395 2.643 10 10 EFCERN O=C(NCc1cccc(O)c1O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001558161170 1415163450 /nfs/dbraw/zinc/16/34/50/1415163450.db2.gz HVNLHBDJVJRXIK-MRXNPFEDSA-N 0 0 347.317 2.824 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC001558174570 1415163893 /nfs/dbraw/zinc/16/38/93/1415163893.db2.gz OQIHDWMAIARFFH-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN CC1=NN(c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)CC1 ZINC001558174225 1415164101 /nfs/dbraw/zinc/16/41/01/1415164101.db2.gz HUUKHTCPMMRYDM-UHFFFAOYSA-N 0 0 325.368 2.614 10 10 EFCERN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cc(O)ccc1O ZINC001558174374 1415164219 /nfs/dbraw/zinc/16/42/19/1415164219.db2.gz LBYCMXDPSHHUOT-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN Nc1c(Cl)c(Cl)ccc1C(=O)NCc1cc(O)ccc1O ZINC001558176525 1415164633 /nfs/dbraw/zinc/16/46/33/1415164633.db2.gz CCKKVZDAKJOTID-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN Cc1ccc(C2=NO[C@@H](C(=O)NCc3c(O)cccc3F)C2)cc1 ZINC001558457904 1415181365 /nfs/dbraw/zinc/18/13/65/1415181365.db2.gz YVIRXGSGGSWDSI-QGZVFWFLSA-N 0 0 328.343 2.649 10 10 EFCERN Cc1ncc2n1C[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001558554724 1415188370 /nfs/dbraw/zinc/18/83/70/1415188370.db2.gz UZLNUPDUZRPVEV-HNNXBMFYSA-N 0 0 335.407 2.929 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCn3nc(C4CC4)cc3C2)cc1 ZINC001558648933 1415193385 /nfs/dbraw/zinc/19/33/85/1415193385.db2.gz MJHIJPUQFCZZTA-UHFFFAOYSA-N 0 0 338.371 2.579 10 10 EFCERN C[C@@H]1Oc2c(cccc2C(=O)NCc2cccc(Cl)c2O)NC1=O ZINC001558756757 1415199727 /nfs/dbraw/zinc/19/97/27/1415199727.db2.gz ADZVLLRKVVPCPH-VIFPVBQESA-N 0 0 346.770 2.695 10 10 EFCERN COC(=O)Cc1ccc(NCc2c(O)cccc2F)c([N+](=O)[O-])c1 ZINC001559284578 1415236811 /nfs/dbraw/zinc/23/68/11/1415236811.db2.gz JHFWRGQDSXRDDZ-UHFFFAOYSA-N 0 0 334.303 2.767 10 10 EFCERN C[C@@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564555118 1415379281 /nfs/dbraw/zinc/37/92/81/1415379281.db2.gz MHBSASBSRSLVGE-QAPCUYQASA-N 0 0 331.460 2.853 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)Nc2ccccc2)cc1 ZINC001565722677 1415412728 /nfs/dbraw/zinc/41/27/28/1415412728.db2.gz DVTVWPAHMYXALW-UHFFFAOYSA-N 0 0 339.355 2.608 10 10 EFCERN C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001565927808 1415451292 /nfs/dbraw/zinc/45/12/92/1415451292.db2.gz IVGOPZALJGMOCG-ZDUSSCGKSA-N 0 0 340.383 2.872 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(CCc2ccccc2)[nH]n1 ZINC001565956090 1415463611 /nfs/dbraw/zinc/46/36/11/1415463611.db2.gz NNVGANVISTZRFO-UHFFFAOYSA-N 0 0 337.379 2.787 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)c1 ZINC001566374277 1415544091 /nfs/dbraw/zinc/54/40/91/1415544091.db2.gz BHDYFTNUDSVYCE-SSDOTTSWSA-N 0 0 329.278 2.634 10 10 EFCERN COc1cccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1O ZINC001566374165 1415544179 /nfs/dbraw/zinc/54/41/79/1415544179.db2.gz WVWMFNLTWGPGGQ-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)c1 ZINC001566374598 1415544208 /nfs/dbraw/zinc/54/42/08/1415544208.db2.gz NPRIPZUIHIQQBE-NSHDSACASA-N 0 0 340.383 2.620 10 10 EFCERN COc1cc(NC(C)=O)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001566517191 1415606038 /nfs/dbraw/zinc/60/60/38/1415606038.db2.gz URVGPWNCJYTIEF-YWEYNIOJSA-N 0 0 342.351 2.717 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001566849578 1415798651 /nfs/dbraw/zinc/79/86/51/1415798651.db2.gz MUPDFJYWYDFPTI-VXGBXAGGSA-N 0 0 339.819 2.983 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC001567226564 1416002458 /nfs/dbraw/zinc/00/24/58/1416002458.db2.gz IXQSUTBQYQFIBY-MCIONIFRSA-N 0 0 328.372 2.536 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC001567387811 1416108537 /nfs/dbraw/zinc/10/85/37/1416108537.db2.gz IXNJIDSUNQBETK-QGZVFWFLSA-N 0 0 341.407 2.501 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1 ZINC001567835429 1416293512 /nfs/dbraw/zinc/29/35/12/1416293512.db2.gz WXQOTUFBENHDRV-QZTJIDSGSA-N 0 0 340.423 2.796 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c1 ZINC001567835428 1416293782 /nfs/dbraw/zinc/29/37/82/1416293782.db2.gz WXQOTUFBENHDRV-MSOLQXFVSA-N 0 0 340.423 2.796 10 10 EFCERN CCC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001568231263 1416449639 /nfs/dbraw/zinc/44/96/39/1416449639.db2.gz KFRHZHMVQRAKIU-LBPRGKRZSA-N 0 0 334.376 2.558 10 10 EFCERN COc1ccccc1C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001568385051 1416505673 /nfs/dbraw/zinc/50/56/73/1416505673.db2.gz WLYAABPKWJAWQD-KJJQSCHISA-N 0 0 327.380 2.867 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1-c1ccn(C)n1 ZINC001646035585 1416604624 /nfs/dbraw/zinc/60/46/24/1416604624.db2.gz ZNZFZAGLXIRZPA-UHFFFAOYSA-N 0 0 342.374 2.602 10 10 EFCERN CCOC(=O)[C@](C)(CNC(=O)c1ccc(C)c(O)c1O)CC(C)C ZINC001646224762 1416635584 /nfs/dbraw/zinc/63/55/84/1416635584.db2.gz VVKCIMRSPWCWLT-SFHVURJKSA-N 0 0 337.416 2.752 10 10 EFCERN Cc1cc(CC(=O)N[C@H](CO)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001646283870 1416642434 /nfs/dbraw/zinc/64/24/34/1416642434.db2.gz ZBLLUTVNHUHZIG-OAHLLOKOSA-N 0 0 340.345 2.676 10 10 EFCERN Cc1nocc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001683213067 1416679139 /nfs/dbraw/zinc/67/91/39/1416679139.db2.gz GNDFCOTYUJVINB-UHFFFAOYSA-N 0 0 328.416 2.925 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001683830609 1416686215 /nfs/dbraw/zinc/68/62/15/1416686215.db2.gz RRQGOHDGZMBUQZ-JTQLQIEISA-N 0 0 333.319 3.000 10 10 EFCERN Cc1cc(CCNC(=O)N[C@]23C[C@H]2COC3)c(C)n1-c1ccccc1 ZINC001684322967 1416717836 /nfs/dbraw/zinc/71/78/36/1416717836.db2.gz YUQMBDXAUIDIDA-PXNSSMCTSA-N 0 0 339.439 2.725 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001684377904 1416719645 /nfs/dbraw/zinc/71/96/45/1416719645.db2.gz PPYSXCWXCSZNNP-HKUYNNGSSA-N 0 0 343.471 2.996 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC001684835210 1416732230 /nfs/dbraw/zinc/73/22/30/1416732230.db2.gz XVZDIHYPJOUXRG-OAHLLOKOSA-N 0 0 341.459 2.923 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC001684835209 1416732295 /nfs/dbraw/zinc/73/22/95/1416732295.db2.gz XVZDIHYPJOUXRG-HNNXBMFYSA-N 0 0 341.459 2.923 10 10 EFCERN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001685981299 1416784180 /nfs/dbraw/zinc/78/41/80/1416784180.db2.gz UDRBRYFXFWCJOI-GFCCVEGCSA-N 0 0 329.356 2.903 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC001686826973 1416810986 /nfs/dbraw/zinc/81/09/86/1416810986.db2.gz UEHADKXQPRNHTA-YRBFXIGRSA-N 0 0 333.476 2.857 10 10 EFCERN Cc1nnc(N(C)Cc2ccon2)n1Cc1ccc(N(C)C)cc1C ZINC001724235483 1424709336 /nfs/dbraw/zinc/70/93/36/1424709336.db2.gz LMOFBIRZBBAFSI-UHFFFAOYSA-N 0 0 340.431 2.634 10 10 EFCERN CCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001728059264 1426311298 /nfs/dbraw/zinc/31/12/98/1426311298.db2.gz LPEIIZPLYVVCQD-UHFFFAOYSA-N 0 0 340.431 2.821 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@](C)(O)C1CC1 ZINC001729419173 1426325914 /nfs/dbraw/zinc/32/59/14/1426325914.db2.gz PTGQFLJRGXYSIQ-IBGZPJMESA-N 0 0 342.443 2.659 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1CCOCC1 ZINC001729418661 1426325956 /nfs/dbraw/zinc/32/59/56/1426325956.db2.gz GXROXDFWTFDGDJ-UHFFFAOYSA-N 0 0 342.443 2.924 10 10 EFCERN COC[C@@H](C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001730445441 1426331064 /nfs/dbraw/zinc/33/10/64/1426331064.db2.gz FKSZWHSQMUGZMF-ZDUSSCGKSA-N 0 0 330.432 2.780 10 10 EFCERN COC[C@H](C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001730445440 1426331140 /nfs/dbraw/zinc/33/11/40/1426331140.db2.gz FKSZWHSQMUGZMF-CYBMUJFWSA-N 0 0 330.432 2.780 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000120572629 713276044 /nfs/dbraw/zinc/27/60/44/713276044.db2.gz YHJUQSODHLOPRC-HNNXBMFYSA-N 0 0 340.423 2.949 10 10 EFCERN C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000806168537 713408405 /nfs/dbraw/zinc/40/84/05/713408405.db2.gz QCLDHVRFQXHDFO-SSDOTTSWSA-N 0 0 345.628 2.787 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000804689195 713419565 /nfs/dbraw/zinc/41/95/65/713419565.db2.gz XRQMVSOGMBBZLK-TZNOJPMFSA-N 0 0 326.299 2.872 10 10 EFCERN C[C@@H](OCC1CC1)C(=O)NCc1cc(Br)ccc1O ZINC000804735415 713455189 /nfs/dbraw/zinc/45/51/89/713455189.db2.gz XVYWIRNSCAIAMF-SECBINFHSA-N 0 0 328.206 2.586 10 10 EFCERN Cc1ncsc1C(=O)NCc1cc(Br)ccc1O ZINC000804735592 713455215 /nfs/dbraw/zinc/45/52/15/713455215.db2.gz ARKZJYGTYXWCLW-UHFFFAOYSA-N 0 0 327.203 2.850 10 10 EFCERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccccn1 ZINC000804736153 713455511 /nfs/dbraw/zinc/45/55/11/713455511.db2.gz OXBUCICOWCSRFJ-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1[nH]nc2ccccc21 ZINC000804737261 713455999 /nfs/dbraw/zinc/45/59/99/713455999.db2.gz MENMDYIOSJXYMH-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN CC(C)COCCC(=O)NCc1cc(Br)ccc1O ZINC000804737295 713456006 /nfs/dbraw/zinc/45/60/06/713456006.db2.gz HAUJIHIOOJIFMG-UHFFFAOYSA-N 0 0 330.222 2.834 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc2cccnn21 ZINC000804737533 713456119 /nfs/dbraw/zinc/45/61/19/713456119.db2.gz STNLYOWUQSNLKR-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc(O)c(F)c1 ZINC000804737465 713456183 /nfs/dbraw/zinc/45/61/83/713456183.db2.gz RVLPMDYXDQYGSN-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CCc1noc(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804737578 713456243 /nfs/dbraw/zinc/45/62/43/713456243.db2.gz TUQBDUMIOWOEDI-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804738733 713456363 /nfs/dbraw/zinc/45/63/63/713456363.db2.gz BYQSTROKGCDYIR-JRKPZEMJSA-N 0 0 328.206 2.584 10 10 EFCERN Cc1noc(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804738881 713456367 /nfs/dbraw/zinc/45/63/67/713456367.db2.gz ICZWAJFRFOKMSD-UHFFFAOYSA-N 0 0 325.162 2.690 10 10 EFCERN Cc1[nH]c(C=O)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804739180 713456379 /nfs/dbraw/zinc/45/63/79/713456379.db2.gz UFXXNZCEHYFSPK-UHFFFAOYSA-N 0 0 337.173 2.534 10 10 EFCERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804738734 713456435 /nfs/dbraw/zinc/45/64/35/713456435.db2.gz BYQSTROKGCDYIR-KKFJDGPESA-N 0 0 328.206 2.584 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc2cc[nH]c2n1 ZINC000804738060 713456586 /nfs/dbraw/zinc/45/65/86/713456586.db2.gz AQPQNJVCPOISPD-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1cccnc1 ZINC000804738364 713456725 /nfs/dbraw/zinc/45/67/25/713456725.db2.gz NOBASYVXKBTSSZ-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN CC[C@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804740445 713456828 /nfs/dbraw/zinc/45/68/28/713456828.db2.gz HHXIIJZGYICVHF-AAEUAGOBSA-N 0 0 328.206 2.729 10 10 EFCERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000804740901 713457082 /nfs/dbraw/zinc/45/70/82/713457082.db2.gz OXSBWKKPNNMSJA-VHSXEESVSA-N 0 0 340.217 2.776 10 10 EFCERN Cc1nnc2ccc(NCc3cc(Br)ccc3O)nn12 ZINC000804826837 713487917 /nfs/dbraw/zinc/48/79/17/713487917.db2.gz HGPQXBIIBAJCLR-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN CCc1cc(NCc2cc(Br)ccc2O)n2ncnc2n1 ZINC000804828157 713488230 /nfs/dbraw/zinc/48/82/30/713488230.db2.gz JMPJQQWCGYPNTD-UHFFFAOYSA-N 0 0 348.204 2.767 10 10 EFCERN CNC(=O)c1cccnc1NCc1cc(Br)ccc1O ZINC000804828447 713488473 /nfs/dbraw/zinc/48/84/73/713488473.db2.gz QBBUBGLXRPDULJ-UHFFFAOYSA-N 0 0 336.189 2.521 10 10 EFCERN Cc1nc2c(cnn2C)c(NCc2cc(Br)ccc2O)n1 ZINC000804828649 713489018 /nfs/dbraw/zinc/48/90/18/713489018.db2.gz VFCZLOUNKWLZKJ-UHFFFAOYSA-N 0 0 348.204 2.752 10 10 EFCERN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cccs1 ZINC000096834048 714659881 /nfs/dbraw/zinc/65/98/81/714659881.db2.gz WVXZFFVVLWFFLS-ZMTLZGASSA-N 0 0 333.409 2.600 10 10 EFCERN C[C@@H](N1CCN(Cc2cc3c(cc2O)CCC3)CC1)C(F)(F)F ZINC000176070507 715106183 /nfs/dbraw/zinc/10/61/83/715106183.db2.gz OELDZMLZBSBQCZ-GFCCVEGCSA-N 0 0 328.378 2.949 10 10 EFCERN CCN(CC)c1ccc(CN2CCN(c3cccnn3)CC2)cc1F ZINC000127953176 715632754 /nfs/dbraw/zinc/63/27/54/715632754.db2.gz NHDCQMQYDGBWNZ-UHFFFAOYSA-N 0 0 343.450 2.784 10 10 EFCERN CCCCC[C@H](C)NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000066863865 715681081 /nfs/dbraw/zinc/68/10/81/715681081.db2.gz CEXQIRHHMCHWCS-KRWDZBQOSA-N 0 0 347.503 2.902 10 10 EFCERN CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000052529412 716269162 /nfs/dbraw/zinc/26/91/62/716269162.db2.gz JIEVFUMWBICAKW-QGZVFWFLSA-N 0 0 330.476 2.570 10 10 EFCERN Cc1noc([C@H](C)N2CCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121284765 723892410 /nfs/dbraw/zinc/89/24/10/723892410.db2.gz RKWUPACZXFKUOK-NSHDSACASA-N 0 0 336.823 2.616 10 10 EFCERN CSCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000304253530 724448923 /nfs/dbraw/zinc/44/89/23/724448923.db2.gz QZAZKQUEURCVFS-UHFFFAOYSA-N 0 0 336.501 2.655 10 10 EFCERN Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c(O)c1O ZINC000179542119 717772911 /nfs/dbraw/zinc/77/29/11/717772911.db2.gz VQMLDGFIGGICGF-LLVKDONJSA-N 0 0 348.349 2.693 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C)cc1 ZINC000179774932 717878450 /nfs/dbraw/zinc/87/84/50/717878450.db2.gz CBIILBASBVUGMN-INIZCTEOSA-N 0 0 338.517 2.932 10 10 EFCERN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1Cc1ccon1 ZINC000178017906 718237699 /nfs/dbraw/zinc/23/76/99/718237699.db2.gz XEMARXOBNNADNJ-QPEQYQDCSA-N 0 0 342.405 2.724 10 10 EFCERN Cc1cc(C[C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)[nH]n1 ZINC000161079800 718323509 /nfs/dbraw/zinc/32/35/09/718323509.db2.gz GPTBJWFCZYTTGT-NSHDSACASA-N 0 0 337.383 2.643 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCc1c(C)nn(C)c1C ZINC000066700183 718603303 /nfs/dbraw/zinc/60/33/03/718603303.db2.gz PLITXPZFEHJVMO-UHFFFAOYSA-N 0 0 344.459 2.907 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCC4(CCC4)O3)C2)cc1 ZINC000892684220 718654890 /nfs/dbraw/zinc/65/48/90/718654890.db2.gz BXKPBKALYYRJPM-QAPCUYQASA-N 0 0 344.455 2.882 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CC(C)(C)CO3)C2)cc1 ZINC000892685384 718668017 /nfs/dbraw/zinc/66/80/17/718668017.db2.gz KUMAMGAUDGBAPI-PBHICJAKSA-N 0 0 332.444 2.595 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC000935947906 718771815 /nfs/dbraw/zinc/77/18/15/718771815.db2.gz HJYHUUYYFIXQFH-UHFFFAOYSA-N 0 0 348.321 2.858 10 10 EFCERN CCC1(CO)CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000305739880 724543120 /nfs/dbraw/zinc/54/31/20/724543120.db2.gz ZRYZSNRVCSXBAQ-UHFFFAOYSA-N 0 0 341.411 2.875 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000305837825 724553347 /nfs/dbraw/zinc/55/33/47/724553347.db2.gz XUDYYPVBZOMMTA-HOCLYGCPSA-N 0 0 341.411 2.874 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC000294582809 719335508 /nfs/dbraw/zinc/33/55/08/719335508.db2.gz YDAJVVAVXDXMAS-GOSISDBHSA-N 0 0 343.471 2.504 10 10 EFCERN CCc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)ccc1C ZINC000180542105 719947235 /nfs/dbraw/zinc/94/72/35/719947235.db2.gz UWJIXJDKJILWRF-UHFFFAOYSA-N 0 0 326.396 2.860 10 10 EFCERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180608275 719955117 /nfs/dbraw/zinc/95/51/17/719955117.db2.gz LOFLIDAKQHZFGO-CSKARUKUSA-N 0 0 349.390 2.955 10 10 EFCERN CC(C)[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000840977134 720007980 /nfs/dbraw/zinc/00/79/80/720007980.db2.gz SDRAJAPXIROIAG-LBPRGKRZSA-N 0 0 341.249 2.644 10 10 EFCERN CCC(C)(C)NC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000014152079 720084676 /nfs/dbraw/zinc/08/46/76/720084676.db2.gz LASRIRZCZHDHLO-UHFFFAOYSA-N 0 0 349.456 2.957 10 10 EFCERN CN(Cc1c2c(nn1C)CCSC2)Cc1ccc(N(C)C)cc1 ZINC000893863577 720129606 /nfs/dbraw/zinc/12/96/06/720129606.db2.gz IZWOTLSALWAGBE-UHFFFAOYSA-N 0 0 330.501 2.907 10 10 EFCERN C[C@@H](O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893993156 720199549 /nfs/dbraw/zinc/19/95/49/720199549.db2.gz BWYOANLJKFNGKY-SECBINFHSA-N 0 0 332.213 2.887 10 10 EFCERN COC(=O)c1c(CN(C)Cc2ccon2)c2cc(F)ccc2n1C ZINC000894040421 720243920 /nfs/dbraw/zinc/24/39/20/720243920.db2.gz UVVOYQIKWPKYDV-UHFFFAOYSA-N 0 0 331.347 2.724 10 10 EFCERN COc1cc(C)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000894093099 720277076 /nfs/dbraw/zinc/27/70/76/720277076.db2.gz CGSWGAHMLCXLHL-HOTGVXAUSA-N 0 0 347.411 2.627 10 10 EFCERN CCO/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000840587470 720406483 /nfs/dbraw/zinc/40/64/83/720406483.db2.gz JRYBQDOXWZGQKD-FPLPWBNLSA-N 0 0 346.358 2.904 10 10 EFCERN Oc1ccccc1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000189661939 720616221 /nfs/dbraw/zinc/61/62/21/720616221.db2.gz JFKCHRIWHWFGFU-KGLIPLIRSA-N 0 0 333.350 2.687 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191549059 720758485 /nfs/dbraw/zinc/75/84/85/720758485.db2.gz YXLVPPIJVYSYSE-UHFFFAOYSA-N 0 0 345.403 2.587 10 10 EFCERN CCOC(=O)c1sc([C@H](C)NC(=O)Cc2ccc(N)cc2)nc1C ZINC000237009666 720771287 /nfs/dbraw/zinc/77/12/87/720771287.db2.gz POGXHESRHNMXKS-NSHDSACASA-N 0 0 347.440 2.630 10 10 EFCERN CCc1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)on1 ZINC000894137818 720856413 /nfs/dbraw/zinc/85/64/13/720856413.db2.gz DYIVRKFBOSGZKE-UHFFFAOYSA-N 0 0 345.374 2.944 10 10 EFCERN COCCNC(=S)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000015156181 721130481 /nfs/dbraw/zinc/13/04/81/721130481.db2.gz VUFIGLHUEVRBBG-UHFFFAOYSA-N 0 0 331.485 2.747 10 10 EFCERN COC(=O)c1c(CNCc2c(C)noc2C)c2cc(F)ccc2n1C ZINC000894202037 721196834 /nfs/dbraw/zinc/19/68/34/721196834.db2.gz BXBGTBJSQMCDTQ-UHFFFAOYSA-N 0 0 345.374 2.999 10 10 EFCERN CCN(CCC(N)=O)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000928825930 724819361 /nfs/dbraw/zinc/81/93/61/724819361.db2.gz IJWUXTQKOSHAJZ-UHFFFAOYSA-N 0 0 327.428 2.740 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cnc(N(C)C)nc2)cc1 ZINC000178909914 722088411 /nfs/dbraw/zinc/08/84/11/722088411.db2.gz CJKCQTNZIPUWBZ-UHFFFAOYSA-N 0 0 342.447 2.711 10 10 EFCERN COC(=O)c1c(C[NH2+]Cc2ccn(C)c2)c2cc(F)ccc2n1C ZINC000894323581 722092018 /nfs/dbraw/zinc/09/20/18/722092018.db2.gz OEFNYOLUVPJKIS-UHFFFAOYSA-N 0 0 329.375 2.732 10 10 EFCERN COc1ccc(N(C)Cc2nc(Br)nn2C)cc1Cl ZINC000894429565 722734205 /nfs/dbraw/zinc/73/42/05/722734205.db2.gz KAIANRNNYIIFJW-UHFFFAOYSA-N 0 0 345.628 2.876 10 10 EFCERN COC(=O)c1c(CN[C@@H]2CCn3ccnc32)c2cc(F)ccc2n1C ZINC000894870096 722928918 /nfs/dbraw/zinc/92/89/18/722928918.db2.gz IUSIONPOFZEGAU-CQSZACIVSA-N 0 0 342.374 2.535 10 10 EFCERN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894881018 722937415 /nfs/dbraw/zinc/93/74/15/722937415.db2.gz KHRMNZXBEHLZDJ-TVQRCGJNSA-N 0 0 332.213 2.887 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](n2ccnc2)C1 ZINC000896151475 723162073 /nfs/dbraw/zinc/16/20/73/723162073.db2.gz DTCRIODKHXPJOS-LBPRGKRZSA-N 0 0 343.408 2.986 10 10 EFCERN COc1ccc(O)c(CNC(=O)C[C@H]2CCc3sccc3C2=O)c1 ZINC000896362673 723270568 /nfs/dbraw/zinc/27/05/68/723270568.db2.gz VFVNKYXYURJVSX-LLVKDONJSA-N 0 0 345.420 2.914 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](C)CO1 ZINC000896760227 723467544 /nfs/dbraw/zinc/46/75/44/723467544.db2.gz ZAPRPPBGQCKQDC-IINYFYTJSA-N 0 0 342.233 2.928 10 10 EFCERN COC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000896904877 723839680 /nfs/dbraw/zinc/83/96/80/723839680.db2.gz WKGVGOLIXQTPGQ-ZDUSSCGKSA-N 0 0 337.397 2.630 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000727167866 723846869 /nfs/dbraw/zinc/84/68/69/723846869.db2.gz ADVNGDPPXHFQFR-UHFFFAOYSA-N 0 0 343.427 2.965 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895336196 724044231 /nfs/dbraw/zinc/04/42/31/724044231.db2.gz QJAJZOVUOBRUOU-OLZOCXBDSA-N 0 0 346.402 2.572 10 10 EFCERN O=C1N[C@@H](c2ccc(N3CCOCC3)c(F)c2)Nc2cc(F)ccc21 ZINC000727463321 724055110 /nfs/dbraw/zinc/05/51/10/724055110.db2.gz JGQBACKBKOIBRP-KRWDZBQOSA-N 0 0 345.349 2.656 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897250357 724126937 /nfs/dbraw/zinc/12/69/37/724126937.db2.gz CQAIIRQEKFRXSE-VIFPVBQESA-N 0 0 337.397 2.774 10 10 EFCERN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895477996 724154452 /nfs/dbraw/zinc/15/44/52/724154452.db2.gz RSMDYPPHTPPXHX-SNVBAGLBSA-N 0 0 332.213 2.887 10 10 EFCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)(F)F ZINC000897268706 724159375 /nfs/dbraw/zinc/15/93/75/724159375.db2.gz PEECXEVESRJRSH-JVXZTZIISA-N 0 0 349.330 2.744 10 10 EFCERN COC(=O)[C@H](CC1CCOCC1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895593659 724219409 /nfs/dbraw/zinc/21/94/09/724219409.db2.gz WXUORZSUFVSHRF-HMECNJMJSA-N 0 0 346.471 2.714 10 10 EFCERN COc1cc(N(C)Cc2nnc(C3CCC3)n2C)cc(OC)c1OC ZINC000181378006 728894476 /nfs/dbraw/zinc/89/44/76/728894476.db2.gz NYWXGDLALZHSBS-UHFFFAOYSA-N 0 0 346.431 2.745 10 10 EFCERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000895862906 724345972 /nfs/dbraw/zinc/34/59/72/724345972.db2.gz KCCJHRAIXUSHDS-OALUTQOASA-N 0 0 346.471 2.877 10 10 EFCERN COC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895847749 724348947 /nfs/dbraw/zinc/34/89/47/724348947.db2.gz GRBISIJCTYEPIG-LBPRGKRZSA-N 0 0 345.365 2.702 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000728979451 724938979 /nfs/dbraw/zinc/93/89/79/724938979.db2.gz IFVGFYSZZSIAGB-TZMCWYRMSA-N 0 0 327.380 2.829 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC[C@H]2CCC3(CCC3)O2)c1 ZINC000918745019 728919872 /nfs/dbraw/zinc/91/98/72/728919872.db2.gz ATLAFCFZYKVRHU-CQSZACIVSA-N 0 0 334.416 2.692 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000918745499 728920342 /nfs/dbraw/zinc/92/03/42/728920342.db2.gz MWWQKPVSSBKCBV-PBHICJAKSA-N 0 0 346.358 2.672 10 10 EFCERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897409228 725432504 /nfs/dbraw/zinc/43/25/04/725432504.db2.gz UNAQQPIEANEDIZ-RISCZKNCSA-N 0 0 333.409 3.000 10 10 EFCERN CCS(=O)(=O)NCCCN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000151681138 725808376 /nfs/dbraw/zinc/80/83/76/725808376.db2.gz QOECYFNLTBSYOO-AWEZNQCLSA-N 0 0 340.489 2.630 10 10 EFCERN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@H]1CCCO1 ZINC000151743554 725821033 /nfs/dbraw/zinc/82/10/33/725821033.db2.gz CMGVFSNYTKPLMG-OAHLLOKOSA-N 0 0 341.407 2.940 10 10 EFCERN COC(=O)C[C@@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000913729520 725835912 /nfs/dbraw/zinc/83/59/12/725835912.db2.gz QWYIOHCWCGVFCM-QGZVFWFLSA-N 0 0 349.408 2.774 10 10 EFCERN C[C@@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccccc1O ZINC000913763368 725853272 /nfs/dbraw/zinc/85/32/72/725853272.db2.gz DJYYPTUYVWSNLM-SNVBAGLBSA-N 0 0 340.301 2.607 10 10 EFCERN COc1ccc([C@@]2(C(=O)N[C@H](C)c3ccccc3O)C[C@@H](O)C2)cc1 ZINC000913763745 725853394 /nfs/dbraw/zinc/85/33/94/725853394.db2.gz QJEVXMGBXMYKCX-WAWZGNHOSA-N 0 0 341.407 2.671 10 10 EFCERN C[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1ccccc1O ZINC000913763893 725853438 /nfs/dbraw/zinc/85/34/38/725853438.db2.gz UUXAHTLOYQMPCC-XVKPBYJWSA-N 0 0 326.607 2.691 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000913927116 725953371 /nfs/dbraw/zinc/95/33/71/725953371.db2.gz VGKLONPYKCQLSL-WMZOPIPTSA-N 0 0 331.460 2.757 10 10 EFCERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCCC(C)(F)F)c1 ZINC000914154090 726085368 /nfs/dbraw/zinc/08/53/68/726085368.db2.gz TYOCDXJLAKUXIW-SNVBAGLBSA-N 0 0 337.388 2.817 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCCC(C)(F)F ZINC000914207612 726171113 /nfs/dbraw/zinc/17/11/13/726171113.db2.gz SOTLJOIEHKJPCB-UHFFFAOYSA-N 0 0 348.415 2.717 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC1CCN(c2ccccc2)CC1 ZINC000914327502 726242232 /nfs/dbraw/zinc/24/22/32/726242232.db2.gz NDGDNHQALCJGRG-UHFFFAOYSA-N 0 0 343.402 3.000 10 10 EFCERN Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccccn1 ZINC000914906160 726807840 /nfs/dbraw/zinc/80/78/40/726807840.db2.gz MDOYTCANCCQRHL-UHFFFAOYSA-N 0 0 329.400 2.561 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cccc2nc(CO)[nH]c21 ZINC000906993568 726841881 /nfs/dbraw/zinc/84/18/81/726841881.db2.gz GHZBCGKFKZASRW-UHFFFAOYSA-N 0 0 339.395 2.813 10 10 EFCERN Cc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C(F)(F)F ZINC000907273087 726900050 /nfs/dbraw/zinc/90/00/50/726900050.db2.gz KSMKFZIUYBYJAL-ZETCQYMHSA-N 0 0 343.305 2.509 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000907276068 726900829 /nfs/dbraw/zinc/90/08/29/726900829.db2.gz YZBZPYVFPAFTOC-UKRRQHHQSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@H](NC(=O)c1coc2c1C(=O)NCCC2)c1ccc(N(C)C)cc1 ZINC000907491170 726953509 /nfs/dbraw/zinc/95/35/09/726953509.db2.gz CBCKMBQSEMETDB-LBPRGKRZSA-N 0 0 341.411 2.513 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCS1 ZINC000915367011 726964662 /nfs/dbraw/zinc/96/46/62/726964662.db2.gz UPKCLGVUDSDMBO-YPMHNXCESA-N 0 0 325.453 2.975 10 10 EFCERN CN1CCCc2cc(CNC(=O)NCc3c(O)cccc3F)ccc21 ZINC000915390751 726970224 /nfs/dbraw/zinc/97/02/24/726970224.db2.gz OQSFGWBILZXDSH-UHFFFAOYSA-N 0 0 343.402 2.913 10 10 EFCERN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1ccccc1O ZINC000915525011 727087168 /nfs/dbraw/zinc/08/71/68/727087168.db2.gz KVSNYHCMGUFHQA-WCQYABFASA-N 0 0 332.322 2.691 10 10 EFCERN CCc1noc(C)c1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000155443427 727191128 /nfs/dbraw/zinc/19/11/28/727191128.db2.gz LBHLFVHPMKOBAQ-UHFFFAOYSA-N 0 0 344.415 2.704 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000910950230 727472653 /nfs/dbraw/zinc/47/26/53/727472653.db2.gz STDCBXZZHUDHSH-MRXNPFEDSA-N 0 0 327.380 2.922 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952233 727472790 /nfs/dbraw/zinc/47/27/90/727472790.db2.gz UCFCREDLNUDVCS-MEDUHNTESA-N 0 0 340.379 2.622 10 10 EFCERN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc(O)cc1O ZINC000910944166 727474843 /nfs/dbraw/zinc/47/48/43/727474843.db2.gz LTYGMIMUVKSUMK-LBPRGKRZSA-N 0 0 348.424 2.687 10 10 EFCERN COC1(OC)CC2(CN(C(=O)c3ccc(C)c(O)c3O)[C@H]2C(C)C)C1 ZINC000911996260 727634225 /nfs/dbraw/zinc/63/42/25/727634225.db2.gz XJQCDAOSVVYZTK-INIZCTEOSA-N 0 0 349.427 2.656 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H]1C(F)(F)F ZINC000912078066 727651930 /nfs/dbraw/zinc/65/19/30/727651930.db2.gz BSZSQAVBCPBBSO-GFCCVEGCSA-N 0 0 333.287 2.673 10 10 EFCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2ccnc2)cc1 ZINC000912111725 727655835 /nfs/dbraw/zinc/65/58/35/727655835.db2.gz XQWYYGNSCPOJNA-UHFFFAOYSA-N 0 0 340.349 2.540 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2c2nccs2)c1 ZINC000153885322 727664941 /nfs/dbraw/zinc/66/49/41/727664941.db2.gz SGNCWQCXFFFYCM-FZMZJTMJSA-N 0 0 347.440 2.704 10 10 EFCERN COc1ccc(N2CCN(C(=O)CO[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000733085113 727666488 /nfs/dbraw/zinc/66/64/88/727666488.db2.gz AUEGYSGJYHKZFF-QFBILLFUSA-N 0 0 346.471 2.939 10 10 EFCERN COc1ccc(N2CCN(C(=O)CO[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000733085110 727667551 /nfs/dbraw/zinc/66/75/51/727667551.db2.gz AUEGYSGJYHKZFF-LPHOPBHVSA-N 0 0 346.471 2.939 10 10 EFCERN COc1ccc(N2CCN(C(=O)CO[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000733085107 727667624 /nfs/dbraw/zinc/66/76/24/727667624.db2.gz AUEGYSGJYHKZFF-APWZRJJASA-N 0 0 346.471 2.939 10 10 EFCERN CCn1nc(C)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153964812 727680414 /nfs/dbraw/zinc/68/04/14/727680414.db2.gz UBGGBMGQUKOUBG-MRXNPFEDSA-N 0 0 343.427 2.738 10 10 EFCERN COc1nc(C)cc(C)c1CNC(=O)NCc1c(O)cccc1F ZINC000916482116 727688587 /nfs/dbraw/zinc/68/85/87/727688587.db2.gz CWFSQQSJWMPLEU-UHFFFAOYSA-N 0 0 333.363 2.551 10 10 EFCERN C[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1CCO ZINC000912411968 727703543 /nfs/dbraw/zinc/70/35/43/727703543.db2.gz WNLSJBGNKMQKOS-PWSUYJOCSA-N 0 0 335.425 2.936 10 10 EFCERN CN=[S@](C)(=O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000912801798 727746065 /nfs/dbraw/zinc/74/60/65/727746065.db2.gz QISJWFBTNKQOIS-XMMPIXPASA-N 0 0 347.484 2.860 10 10 EFCERN CCOc1cccc(CCNC(=O)NCc2cc(OC)ccc2O)c1 ZINC000154236920 727748366 /nfs/dbraw/zinc/74/83/66/727748366.db2.gz YQUDYHGEKVTBPW-UHFFFAOYSA-N 0 0 344.411 2.841 10 10 EFCERN CC[S@](=O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000733964147 727806569 /nfs/dbraw/zinc/80/65/69/727806569.db2.gz XUBKDOBMKHQRFD-QHCPKHFHSA-N 0 0 332.469 2.901 10 10 EFCERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1-c1ccccc1 ZINC000156594374 727932065 /nfs/dbraw/zinc/93/20/65/727932065.db2.gz XBZHTYSRERBYJJ-UHFFFAOYSA-N 0 0 337.379 2.564 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000156689045 727944235 /nfs/dbraw/zinc/94/42/35/727944235.db2.gz LGLAARIUJSUCRK-OCCSQVGLSA-N 0 0 333.334 2.838 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000156689322 727944236 /nfs/dbraw/zinc/94/42/36/727944236.db2.gz LGLAARIUJSUCRK-JSGCOSHPSA-N 0 0 333.334 2.838 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1 ZINC000182123454 727956424 /nfs/dbraw/zinc/95/64/24/727956424.db2.gz VTADBYQHXMDEII-UHFFFAOYSA-N 0 0 328.437 2.875 10 10 EFCERN CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1C ZINC000183197912 727988363 /nfs/dbraw/zinc/98/83/63/727988363.db2.gz DVGWDFDKQKUIMM-UHFFFAOYSA-N 0 0 348.424 2.887 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000057116819 728068588 /nfs/dbraw/zinc/06/85/88/728068588.db2.gz KPJORZPCRWPMOO-CQSZACIVSA-N 0 0 343.427 2.561 10 10 EFCERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183487139 728122935 /nfs/dbraw/zinc/12/29/35/728122935.db2.gz GLMJRSJIZREUFA-LLVKDONJSA-N 0 0 330.340 2.675 10 10 EFCERN CCN1C(=O)/C(=C\c2ccc(-n3cncn3)c(F)c2)SC1=S ZINC000045799396 728134482 /nfs/dbraw/zinc/13/44/82/728134482.db2.gz ACSOHLKBUNENLV-WUXMJOGZSA-N 0 0 334.401 2.628 10 10 EFCERN C=C(Cl)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000045916178 728150579 /nfs/dbraw/zinc/15/05/79/728150579.db2.gz BTOOJBRGIVJCMH-UHFFFAOYSA-N 0 0 341.750 2.954 10 10 EFCERN c1nc(-c2cccc(NCc3ccc(N4CCOCC4)cc3)c2)n[nH]1 ZINC000157660292 728168253 /nfs/dbraw/zinc/16/82/53/728168253.db2.gz VWKUMFXKCRTAKT-UHFFFAOYSA-N 0 0 335.411 2.920 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2nc(C3CCCC3)no2)cc1 ZINC000183806480 728324392 /nfs/dbraw/zinc/32/43/92/728324392.db2.gz JOHQLLJAGQFPAI-UHFFFAOYSA-N 0 0 345.399 2.915 10 10 EFCERN Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1cccc(C)c1 ZINC000182729595 728338568 /nfs/dbraw/zinc/33/85/68/728338568.db2.gz FSBGLNPYLROQMK-UHFFFAOYSA-N 0 0 337.427 2.814 10 10 EFCERN Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1ccccc1C ZINC000182730382 728338689 /nfs/dbraw/zinc/33/86/89/728338689.db2.gz ZRVBFTPGQKZYGC-UHFFFAOYSA-N 0 0 337.427 2.814 10 10 EFCERN CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3cccnn3)CC2)c1 ZINC000170638934 728459769 /nfs/dbraw/zinc/45/97/69/728459769.db2.gz MYGAUOGSKRBANT-UHFFFAOYSA-N 0 0 342.443 2.508 10 10 EFCERN Cn1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)nnc1C1CC1 ZINC000171934338 728560029 /nfs/dbraw/zinc/56/00/29/728560029.db2.gz HLPXDKPEONBOPI-MRXNPFEDSA-N 0 0 342.443 2.579 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)/C=C/c1ccccc1 ZINC000174064297 728646254 /nfs/dbraw/zinc/64/62/54/728646254.db2.gz ZYNJKBVVMCFAKE-JLHYYAGUSA-N 0 0 344.436 2.952 10 10 EFCERN C/C=C\C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000033717352 728992973 /nfs/dbraw/zinc/99/29/73/728992973.db2.gz FGXCPRPZJUPOEG-DJWKRKHSSA-N 0 0 349.342 2.520 10 10 EFCERN COc1ccccc1O[C@@H](C)CNC(=O)NCc1c(O)cccc1F ZINC000920736110 729225534 /nfs/dbraw/zinc/22/55/34/729225534.db2.gz QRYBCNSQPYFGMB-LBPRGKRZSA-N 0 0 348.374 2.807 10 10 EFCERN CC(C)(C)c1nnc(CNC(=O)NCc2c(O)cccc2F)s1 ZINC000921441366 729458452 /nfs/dbraw/zinc/45/84/52/729458452.db2.gz GAEXARMMXQZJNN-UHFFFAOYSA-N 0 0 338.408 2.680 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1nc(-c2ccoc2)no1 ZINC000175027158 729474366 /nfs/dbraw/zinc/47/43/66/729474366.db2.gz UDWCOQFOBUNEOT-UHFFFAOYSA-N 0 0 326.356 2.795 10 10 EFCERN Cc1nn(C)c(C)c1CCCNC(=O)N(C)Cc1ccccc1O ZINC000179769332 729623113 /nfs/dbraw/zinc/62/31/13/729623113.db2.gz NRGYZTXYUIBIOC-UHFFFAOYSA-N 0 0 330.432 2.517 10 10 EFCERN C[C@@H](COCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181134496 729786596 /nfs/dbraw/zinc/78/65/96/729786596.db2.gz LCBQPNMEMBHQOX-PLWJUESGSA-N 0 0 327.380 2.833 10 10 EFCERN CCN1C[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1=O ZINC001569422502 1085195566 /nfs/dbraw/zinc/19/55/66/1085195566.db2.gz LAOGSZDXCSOZTE-MRXNPFEDSA-N 0 0 339.439 2.753 10 10 EFCERN CCN1C[C@@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1=O ZINC001569422428 1085195592 /nfs/dbraw/zinc/19/55/92/1085195592.db2.gz ITPIMPHPFKZOHP-INIZCTEOSA-N 0 0 339.439 2.753 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(Br)c(F)c1 ZINC001570462311 1086256752 /nfs/dbraw/zinc/25/67/52/1086256752.db2.gz NTUPAPOEJMFERJ-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001570462408 1086257092 /nfs/dbraw/zinc/25/70/92/1086257092.db2.gz RZUUOOHXZZIYRW-UHFFFAOYSA-N 0 0 328.368 2.622 10 10 EFCERN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570475473 1086263548 /nfs/dbraw/zinc/26/35/48/1086263548.db2.gz MDLJAPUMWPQICG-JSGCOSHPSA-N 0 0 349.427 2.609 10 10 EFCERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc2cccnc2c1O ZINC001570531670 1086319971 /nfs/dbraw/zinc/31/99/71/1086319971.db2.gz LHSOCZIYHLBHIJ-UHFFFAOYSA-N 0 0 337.335 2.708 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1ncco1 ZINC001570760826 1086506892 /nfs/dbraw/zinc/50/68/92/1086506892.db2.gz AZUOWABRRVTHPA-OAHLLOKOSA-N 0 0 338.363 2.729 10 10 EFCERN CCn1cc(Br)cc1C(=O)NCc1c(O)cccc1O ZINC001647268598 1089186185 /nfs/dbraw/zinc/18/61/85/1089186185.db2.gz ABCZWPIQJZIXIB-UHFFFAOYSA-N 0 0 339.189 2.612 10 10 EFCERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(O)cccc1O ZINC001647269532 1089187993 /nfs/dbraw/zinc/18/79/93/1089187993.db2.gz GRJZBJAKJMVTDW-CYBMUJFWSA-N 0 0 344.367 2.891 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001647289404 1089215728 /nfs/dbraw/zinc/21/57/28/1089215728.db2.gz BZXYSRBQHBAMEC-LBPRGKRZSA-N 0 0 346.814 2.894 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1c(C(F)F)nc2ccccn21 ZINC001647289945 1089216742 /nfs/dbraw/zinc/21/67/42/1089216742.db2.gz MDISWAGZWTTZOR-UHFFFAOYSA-N 0 0 333.294 2.613 10 10 EFCERN CCCCC(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001576777587 1089454153 /nfs/dbraw/zinc/45/41/53/1089454153.db2.gz ZKMPZVXANJIXNW-UHFFFAOYSA-N 0 0 347.419 2.618 10 10 EFCERN O=C(CN1Cc2ccccc2C1=O)NCc1c(O)ccc2ccccc21 ZINC001647790889 1089879475 /nfs/dbraw/zinc/87/94/75/1089879475.db2.gz AXJILERBSNUMBW-UHFFFAOYSA-N 0 0 346.386 2.818 10 10 EFCERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(Cl)c1O ZINC001647826916 1089889910 /nfs/dbraw/zinc/88/99/10/1089889910.db2.gz OZTRJZBOTKJUTD-UHFFFAOYSA-N 0 0 336.731 2.649 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(N2CCNC2=O)c1 ZINC001647826972 1089890092 /nfs/dbraw/zinc/89/00/92/1089890092.db2.gz QWDPXAQWLZLSLP-UHFFFAOYSA-N 0 0 345.786 2.505 10 10 EFCERN CCOC(=O)c1sc(NC(=O)Cc2ccc(O)c(O)c2)cc1C ZINC001647938778 1089915232 /nfs/dbraw/zinc/91/52/32/1089915232.db2.gz BSJVPPDOTUJTCA-UHFFFAOYSA-N 0 0 335.381 2.826 10 10 EFCERN CN(C)C(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC001583229514 1091937904 /nfs/dbraw/zinc/93/79/04/1091937904.db2.gz JJBYPQGMKDNOPC-UHFFFAOYSA-N 0 0 334.759 2.705 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(F)c(C=O)cc2F)cc1F ZINC001583753537 1092064914 /nfs/dbraw/zinc/06/49/14/1092064914.db2.gz WUBZBYMAMSLJCZ-UHFFFAOYSA-N 0 0 336.313 2.912 10 10 EFCERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCC2 ZINC001584615935 1092219746 /nfs/dbraw/zinc/21/97/46/1092219746.db2.gz PUDKLUSCHXLFCM-CVEARBPZSA-N 0 0 333.428 2.883 10 10 EFCERN COc1cccc2cc(CNC(=O)c3c(F)ccc(O)c3O)oc21 ZINC001648522157 1092228985 /nfs/dbraw/zinc/22/89/85/1092228985.db2.gz FAXAIKXQBJTZBO-UHFFFAOYSA-N 0 0 331.299 2.922 10 10 EFCERN COc1cc2c(cc1C(=O)NCc1cccc(Cl)c1O)OCO2 ZINC001648606173 1092237868 /nfs/dbraw/zinc/23/78/68/1092237868.db2.gz KAOWTBFMAWODRP-UHFFFAOYSA-N 0 0 335.743 2.713 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1c[nH]nc1-c1cccnc1 ZINC001648606534 1092238360 /nfs/dbraw/zinc/23/83/60/1092238360.db2.gz RWYFKWLUBODABQ-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(c2ccccc2)=NO1 ZINC001648606476 1092238667 /nfs/dbraw/zinc/23/86/67/1092238667.db2.gz QXJONPQGEOBFDS-OAHLLOKOSA-N 0 0 330.771 2.855 10 10 EFCERN COc1ccnc(OC)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001585423722 1092482247 /nfs/dbraw/zinc/48/22/47/1092482247.db2.gz KRTNKFUGBXXWDZ-GFCCVEGCSA-N 0 0 329.400 2.656 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnc3n[nH]cc3c2)cc1F ZINC001585698789 1092547721 /nfs/dbraw/zinc/54/77/21/1092547721.db2.gz ZCRFEKASASCMAL-UHFFFAOYSA-N 0 0 341.390 2.873 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC001585830124 1092587341 /nfs/dbraw/zinc/58/73/41/1092587341.db2.gz AFYSLZBIKURUSN-INIZCTEOSA-N 0 0 338.367 2.893 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cccc3c2OCC3)cc1 ZINC001586649286 1092748810 /nfs/dbraw/zinc/74/88/10/1092748810.db2.gz KYESBNBUGGQMRP-UHFFFAOYSA-N 0 0 340.423 2.839 10 10 EFCERN CCn1cc(Cl)c(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001586682983 1092750693 /nfs/dbraw/zinc/75/06/93/1092750693.db2.gz PCBCICNYUNTQCR-UHFFFAOYSA-N 0 0 326.143 2.998 10 10 EFCERN CCc1nnc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)o1 ZINC001586899949 1092767760 /nfs/dbraw/zinc/76/77/60/1092767760.db2.gz XRRQHNGXFDBYBF-UHFFFAOYSA-N 0 0 339.351 2.891 10 10 EFCERN CCn1cc(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC001587022576 1092778166 /nfs/dbraw/zinc/77/81/66/1092778166.db2.gz XEZBXPXCYQSCFV-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN C[C@H](NC(=O)c1ccccc1S[C@@H](C)C(N)=O)c1ccccc1O ZINC001587450974 1092812974 /nfs/dbraw/zinc/81/29/74/1092812974.db2.gz CKBYTNPDMMJPHT-RYUDHWBXSA-N 0 0 344.436 2.849 10 10 EFCERN CN(CCOc1cccc(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001587555105 1092820810 /nfs/dbraw/zinc/82/08/10/1092820810.db2.gz MGYKDRWAHVCRCL-UHFFFAOYSA-N 0 0 335.787 2.831 10 10 EFCERN O=C(c1cc2nccc(C(F)(F)F)n2n1)N1Cc2cccc(O)c2C1 ZINC001587933214 1092870352 /nfs/dbraw/zinc/87/03/52/1092870352.db2.gz OALQHRUAZKNNIA-UHFFFAOYSA-N 0 0 348.284 2.610 10 10 EFCERN O=C([C@@H]1CSC(c2ccccc2O)=N1)N1Cc2cccc(O)c2C1 ZINC001587928109 1092870620 /nfs/dbraw/zinc/87/06/20/1092870620.db2.gz JVOJSMFENHHVIF-AWEZNQCLSA-N 0 0 340.404 2.502 10 10 EFCERN C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167582111 1092881526 /nfs/dbraw/zinc/88/15/26/1092881526.db2.gz KOJRXPHVLBMUEV-HNNXBMFYSA-N 0 0 345.512 2.993 10 10 EFCERN O=C(c1cc2ncccn2n1)N(Cc1ccco1)Cc1ccccc1O ZINC001588146080 1092897685 /nfs/dbraw/zinc/89/76/85/1092897685.db2.gz ROLFCVOCMHJTIS-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN O=C(c1csc(CO)n1)N(Cc1ccco1)Cc1ccccc1O ZINC001588146479 1092898037 /nfs/dbraw/zinc/89/80/37/1092898037.db2.gz YVCWWNPFBPYVMO-UHFFFAOYSA-N 0 0 344.392 2.777 10 10 EFCERN CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133203 1093128328 /nfs/dbraw/zinc/12/83/28/1093128328.db2.gz IPGVCZHQOQHYNE-LLVKDONJSA-N 0 0 333.657 2.944 10 10 EFCERN Cc1cccc(N2N=C(C(=O)N3Cc4cccc(O)c4C3)CCC2=O)c1 ZINC001650673532 1093480208 /nfs/dbraw/zinc/48/02/08/1093480208.db2.gz XGFHTOJAIIMEPR-UHFFFAOYSA-N 0 0 349.390 2.726 10 10 EFCERN Cc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1[N+](=O)[O-] ZINC001650842576 1093499877 /nfs/dbraw/zinc/49/98/77/1093499877.db2.gz WRQQBYSPHIAUPM-SECBINFHSA-N 0 0 334.303 2.945 10 10 EFCERN C[C@@H](Nc1nc(Cl)nc2[nH]c(=O)[nH]c21)c1ccc(N(C)C)cc1 ZINC001650985937 1093515727 /nfs/dbraw/zinc/51/57/27/1093515727.db2.gz HKSWHTAYJGAFRR-MRVPVSSYSA-N 0 0 332.795 2.951 10 10 EFCERN CO[C@](C)(CO)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001651195892 1093538525 /nfs/dbraw/zinc/53/85/25/1093538525.db2.gz RBRMOHAWLPWUDT-SFHVURJKSA-N 0 0 344.367 2.635 10 10 EFCERN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1cc(O)ccc1O ZINC001651222436 1093541389 /nfs/dbraw/zinc/54/13/89/1093541389.db2.gz FLNDCCODTRMSAV-UHFFFAOYSA-N 0 0 340.383 2.662 10 10 EFCERN CCOc1ccccc1OCCCC(=O)NCc1cc(O)ccc1O ZINC001651222503 1093541421 /nfs/dbraw/zinc/54/14/21/1093541421.db2.gz INDQRXIDQNQXCH-UHFFFAOYSA-N 0 0 345.395 2.972 10 10 EFCERN COc1ccc(S[C@@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651223133 1093541501 /nfs/dbraw/zinc/54/15/01/1093541501.db2.gz XKLTZJYHXHPCMJ-NSHDSACASA-N 0 0 333.409 2.903 10 10 EFCERN CSc1cccc(C(=O)NCc2cc(O)ccc2O)c1[N+](=O)[O-] ZINC001651225718 1093542539 /nfs/dbraw/zinc/54/25/39/1093542539.db2.gz WAJJJVYNNPBTPT-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCOc1ccc(F)cc1F ZINC000588406394 1094406772 /nfs/dbraw/zinc/40/67/72/1094406772.db2.gz JSGQGWBHODCJTA-KXFIGUGUSA-N 0 0 335.306 2.584 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cccc2[nH]c(C(F)F)nc21 ZINC001593745212 1094410263 /nfs/dbraw/zinc/41/02/63/1094410263.db2.gz ZDFLYHPKPGHJCG-UHFFFAOYSA-N 0 0 333.294 2.842 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c2cnn(C(C)C)c2n1 ZINC001593873263 1094412730 /nfs/dbraw/zinc/41/27/30/1094412730.db2.gz NEXGGQCHHPLTFX-UHFFFAOYSA-N 0 0 340.383 2.662 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2ccc3ncn(C)c3n2)C2CC2)cc1 ZINC001595318835 1094460857 /nfs/dbraw/zinc/46/08/57/1094460857.db2.gz YZIHNYWZYQDLCK-UHFFFAOYSA-N 0 0 349.438 2.839 10 10 EFCERN Cc1cn2c(nc(C)c2CN(C)C(=O)Cc2ccc(O)c(O)c2)s1 ZINC001596375518 1094528164 /nfs/dbraw/zinc/52/81/64/1094528164.db2.gz LBSDEMIPLHYMGP-UHFFFAOYSA-N 0 0 345.424 2.625 10 10 EFCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](c2ccccc2)O1 ZINC001597306304 1094578895 /nfs/dbraw/zinc/57/88/95/1094578895.db2.gz WIWVLWZYFIXVQR-ACJLOTCBSA-N 0 0 327.380 2.629 10 10 EFCERN O=C(CCC(=O)c1ccc(F)cc1F)NCc1c(O)cccc1O ZINC001597568223 1094599782 /nfs/dbraw/zinc/59/97/82/1094599782.db2.gz BXLZTDJFQSWDDP-UHFFFAOYSA-N 0 0 335.306 2.655 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001597579787 1094602306 /nfs/dbraw/zinc/60/23/06/1094602306.db2.gz SCUHLFLQRONHQE-KDOFPFPSSA-N 0 0 327.380 2.504 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001597663374 1094611567 /nfs/dbraw/zinc/61/15/67/1094611567.db2.gz ZPWNQFCWCAXJPL-SJLPKXTDSA-N 0 0 340.423 2.562 10 10 EFCERN C[C@@H]1CCn2cc(C(=O)NCc3ccc4c(c3)CCCN4C)nc2C1 ZINC001597855993 1094631639 /nfs/dbraw/zinc/63/16/39/1094631639.db2.gz TYEWNFCBVCGRGS-CQSZACIVSA-N 0 0 338.455 2.778 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3ccc(OC(F)F)nc3)ccc21 ZINC001597854730 1094632374 /nfs/dbraw/zinc/63/23/74/1094632374.db2.gz JLDCBKREKBALPS-UHFFFAOYSA-N 0 0 347.365 2.995 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(F)(F)C2(O)CCCCC2)cc1F ZINC001598028286 1094649018 /nfs/dbraw/zinc/64/90/18/1094649018.db2.gz IKXZRXSRPGAQBU-UHFFFAOYSA-N 0 0 344.377 2.838 10 10 EFCERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)[C@H](C)O1 ZINC000782976191 1094658263 /nfs/dbraw/zinc/65/82/63/1094658263.db2.gz GJMYEWDFUNOFRM-WOPDTQHZSA-N 0 0 329.491 2.833 10 10 EFCERN CC[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1c(C)noc1C ZINC000783360265 1096960473 /nfs/dbraw/zinc/96/04/73/1096960473.db2.gz VDURJPYVVHASJZ-LBPRGKRZSA-N 0 0 333.340 2.622 10 10 EFCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001268533272 1097140393 /nfs/dbraw/zinc/14/03/93/1097140393.db2.gz KNNXDBCMKSMPOC-JWAQTBJPSA-N 0 0 339.439 2.807 10 10 EFCERN COc1ncc(/C=C/C(=O)N(C)c2ccc(Br)cc2)cn1 ZINC001611014245 1098971547 /nfs/dbraw/zinc/97/15/47/1098971547.db2.gz PULLPZMUSJFKHJ-FPYGCLRLSA-N 0 0 348.200 2.924 10 10 EFCERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCc1ccc(O)c(O)c1 ZINC001612070364 1099043622 /nfs/dbraw/zinc/04/36/22/1099043622.db2.gz ZDIHRIQBJNUUIG-UHFFFAOYSA-N 0 0 343.314 2.770 10 10 EFCERN COC(=O)c1cnc(SCc2nc(N)c3ccccc3n2)s1 ZINC001613813113 1099108683 /nfs/dbraw/zinc/10/86/83/1099108683.db2.gz UCPAODDZOYLPMV-UHFFFAOYSA-N 0 0 332.410 2.747 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C(=O)NC(C)C ZINC001616962372 1099204953 /nfs/dbraw/zinc/20/49/53/1099204953.db2.gz SMQZLENECKTSGE-UHFFFAOYSA-N 0 0 342.395 2.726 10 10 EFCERN CCOc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCO2 ZINC001616990976 1099206167 /nfs/dbraw/zinc/20/61/67/1099206167.db2.gz AAKGTUXMKQRMJP-OAHLLOKOSA-N 0 0 343.379 2.679 10 10 EFCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cnc(C)s1)CC2 ZINC001617232857 1099226838 /nfs/dbraw/zinc/22/68/38/1099226838.db2.gz UOQVIHKSEBATSE-WAYWQWQTSA-N 0 0 328.393 2.841 10 10 EFCERN COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c(O)c1 ZINC001617753423 1099257539 /nfs/dbraw/zinc/25/75/39/1099257539.db2.gz PKFFBRVNEYNIPS-UHFFFAOYSA-N 0 0 345.376 2.957 10 10 EFCERN CO[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001619495181 1099330143 /nfs/dbraw/zinc/33/01/43/1099330143.db2.gz SAINRRPCWYUEEN-GOSISDBHSA-N 0 0 343.475 2.624 10 10 EFCERN COc1ccc(N(CC(=O)N(C)OC)Cc2ccccc2)cc1OC ZINC001620685055 1099371539 /nfs/dbraw/zinc/37/15/39/1099371539.db2.gz ANKRIQBJWRRQQM-UHFFFAOYSA-N 0 0 344.411 2.730 10 10 EFCERN COc1ccc(N2CCN(C(=O)C(C)(C)c3ccccn3)CC2)cc1 ZINC001622438496 1099513044 /nfs/dbraw/zinc/51/30/44/1099513044.db2.gz VXHURSICPNHIQD-UHFFFAOYSA-N 0 0 339.439 2.717 10 10 EFCERN C[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1c(F)cccc1Cl ZINC001622547274 1099524146 /nfs/dbraw/zinc/52/41/46/1099524146.db2.gz WNLKLVMVUZTJLX-RTHLEPHNSA-N 0 0 339.750 2.742 10 10 EFCERN COc1cc(F)c(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC001622753369 1099540958 /nfs/dbraw/zinc/54/09/58/1099540958.db2.gz SZUIGQXROZTJSG-UHFFFAOYSA-N 0 0 339.750 2.871 10 10 EFCERN CC1(C)Cc2cccc(OCC(=O)NCc3ccccc3O)c2O1 ZINC001622772856 1099543101 /nfs/dbraw/zinc/54/31/01/1099543101.db2.gz KTLUKOQYWURQFZ-UHFFFAOYSA-N 0 0 327.380 2.801 10 10 EFCERN CC(C)n1ccnc1C(=O)NCc1cccc(Br)c1O ZINC001623365036 1099580936 /nfs/dbraw/zinc/58/09/36/1099580936.db2.gz WPLRIYZTYCNIJT-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN CCCN1C[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1=O ZINC001623452539 1099590017 /nfs/dbraw/zinc/59/00/17/1099590017.db2.gz YASBVMAQMPYLGO-KRWDZBQOSA-N 0 0 345.487 2.750 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)c1ccc(O)cc1 ZINC001623550158 1099600935 /nfs/dbraw/zinc/60/09/35/1099600935.db2.gz RWXCGVYVUPSSHY-UHFFFAOYSA-N 0 0 338.407 2.834 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Oc1ccc(C=O)cc1 ZINC001623574702 1099603314 /nfs/dbraw/zinc/60/33/14/1099603314.db2.gz XYGDMCUDJKRFFM-ZDUSSCGKSA-N 0 0 348.395 2.774 10 10 EFCERN Cc1ccsc1[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623781379 1099626021 /nfs/dbraw/zinc/62/60/21/1099626021.db2.gz ZNEKWZMESGNWMU-LBPRGKRZSA-N 0 0 332.385 2.682 10 10 EFCERN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623781378 1099626125 /nfs/dbraw/zinc/62/61/25/1099626125.db2.gz ZNEKWZMESGNWMU-GFCCVEGCSA-N 0 0 332.385 2.682 10 10 EFCERN CCn1cnnc1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001623902239 1099639430 /nfs/dbraw/zinc/63/94/30/1099639430.db2.gz FGBMTVAJCTUBKR-UHFFFAOYSA-N 0 0 337.383 2.770 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC1(C)C ZINC001623928229 1099641141 /nfs/dbraw/zinc/64/11/41/1099641141.db2.gz KFFXAOCDPBNVPE-LBPRGKRZSA-N 0 0 325.792 2.593 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC1(C)C ZINC001623928228 1099641185 /nfs/dbraw/zinc/64/11/85/1099641185.db2.gz KFFXAOCDPBNVPE-GFCCVEGCSA-N 0 0 325.792 2.593 10 10 EFCERN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623968151 1099646262 /nfs/dbraw/zinc/64/62/62/1099646262.db2.gz DLHOTLPCUSSVNH-UHFFFAOYSA-N 0 0 336.355 2.998 10 10 EFCERN Cc1cc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[nH]n1 ZINC001624262579 1099677104 /nfs/dbraw/zinc/67/71/04/1099677104.db2.gz ZDZSYBDCHXHCPK-UHFFFAOYSA-N 0 0 326.444 2.908 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1c[nH]nc1C ZINC001624301501 1099682001 /nfs/dbraw/zinc/68/20/01/1099682001.db2.gz UXYUUMUXIXEVLB-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)cc1 ZINC001624401769 1099688641 /nfs/dbraw/zinc/68/86/41/1099688641.db2.gz PHNMRDJDIVJUOR-UHFFFAOYSA-N 0 0 325.412 2.561 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2ncn(C)n2)cc1 ZINC000843664629 1099743074 /nfs/dbraw/zinc/74/30/74/1099743074.db2.gz WMQHYSSOJRGBPX-UHFFFAOYSA-N 0 0 337.427 2.585 10 10 EFCERN CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001624985602 1099758656 /nfs/dbraw/zinc/75/86/56/1099758656.db2.gz UGMQYGAUHXUPCV-UHFFFAOYSA-N 0 0 342.395 2.807 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1 ZINC001625249628 1099786825 /nfs/dbraw/zinc/78/68/25/1099786825.db2.gz ZCLNOSAPLYZGOY-UHFFFAOYSA-N 0 0 344.386 2.892 10 10 EFCERN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001625283903 1099790285 /nfs/dbraw/zinc/79/02/85/1099790285.db2.gz RKGGUJSYRNZSBX-UHFFFAOYSA-N 0 0 339.355 2.769 10 10 EFCERN O=C(Cc1cc(F)ccc1O)NCc1ccc(N2CCCC2)cc1 ZINC001625377419 1099801695 /nfs/dbraw/zinc/80/16/95/1099801695.db2.gz RSGACYJAFNUQQX-UHFFFAOYSA-N 0 0 328.387 2.990 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nccn1-c1ccccc1 ZINC001625454944 1099812506 /nfs/dbraw/zinc/81/25/06/1099812506.db2.gz IHLYTWOEFHYEDQ-ZDUSSCGKSA-N 0 0 337.379 2.703 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001625635219 1099834124 /nfs/dbraw/zinc/83/41/24/1099834124.db2.gz RDJZIWJAANNUGK-KRWDZBQOSA-N 0 0 349.333 2.519 10 10 EFCERN CCOC(=O)[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC001626723147 1099909626 /nfs/dbraw/zinc/90/96/26/1099909626.db2.gz VEOPNQBCLWBVCW-QAPCUYQASA-N 0 0 348.487 2.944 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(F)c[nH]c1=O ZINC001626723038 1099910202 /nfs/dbraw/zinc/91/02/02/1099910202.db2.gz QQMZSQMSTRCHDL-LBPRGKRZSA-N 0 0 331.391 2.662 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(F)c[nH]c1=O ZINC001626723037 1099910251 /nfs/dbraw/zinc/91/02/51/1099910251.db2.gz QQMZSQMSTRCHDL-GFCCVEGCSA-N 0 0 331.391 2.662 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(Nc2ncccn2)c1 ZINC001626837986 1099923562 /nfs/dbraw/zinc/92/35/62/1099923562.db2.gz MLCJOQJEHOZABZ-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001627026833 1099948479 /nfs/dbraw/zinc/94/84/79/1099948479.db2.gz ZIZWVVRRHDKFEB-UHFFFAOYSA-N 0 0 333.340 2.655 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)n1ccnc1CC ZINC001627028363 1099948613 /nfs/dbraw/zinc/94/86/13/1099948613.db2.gz GJSQXUQAANYPID-CYBMUJFWSA-N 0 0 336.432 2.904 10 10 EFCERN COC(=O)c1oc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001627073139 1099953473 /nfs/dbraw/zinc/95/34/73/1099953473.db2.gz JPPOIXZURXUAJB-UHFFFAOYSA-N 0 0 340.335 2.558 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3nccn3C(C)C)C2)cc1 ZINC001627159305 1099962053 /nfs/dbraw/zinc/96/20/53/1099962053.db2.gz XFLICWRSMJXRQL-HNNXBMFYSA-N 0 0 342.443 2.729 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3nccn3C(C)C)C2)cc1 ZINC001627159306 1099962417 /nfs/dbraw/zinc/96/24/17/1099962417.db2.gz XFLICWRSMJXRQL-OAHLLOKOSA-N 0 0 342.443 2.729 10 10 EFCERN Cc1cc(C=O)c(O)c(C(=O)NCCCSc2nccs2)c1 ZINC001627198946 1099967652 /nfs/dbraw/zinc/96/76/52/1099967652.db2.gz OXWPVRJFXOLKOM-UHFFFAOYSA-N 0 0 336.438 2.882 10 10 EFCERN COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 ZINC001627267178 1099975908 /nfs/dbraw/zinc/97/59/08/1099975908.db2.gz QECTXOOTGWWJNW-GFCCVEGCSA-N 0 0 346.368 2.555 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)nc1 ZINC001627881228 1100039259 /nfs/dbraw/zinc/03/92/59/1100039259.db2.gz NIFCIUNPGOCPQJ-UHFFFAOYSA-N 0 0 344.367 2.629 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC001628139270 1100067162 /nfs/dbraw/zinc/06/71/62/1100067162.db2.gz RTINJRXTVPQPOF-ZNMIVQPWSA-N 0 0 330.388 2.615 10 10 EFCERN CN(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001628234475 1100080959 /nfs/dbraw/zinc/08/09/59/1100080959.db2.gz PRTAQJMQPGCEEA-OAHLLOKOSA-N 0 0 348.830 2.713 10 10 EFCERN COC(=O)[C@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001628258215 1100083565 /nfs/dbraw/zinc/08/35/65/1100083565.db2.gz ZIVTWKJBLXVXHO-CQSZACIVSA-N 0 0 342.439 2.904 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cnn(-c2ccccc2)n1 ZINC001628666545 1100122500 /nfs/dbraw/zinc/12/25/00/1100122500.db2.gz FUJZJSNBDYIAKJ-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccc(Cl)cc1 ZINC001628744930 1100129325 /nfs/dbraw/zinc/12/93/25/1100129325.db2.gz HQSDTQHLMUTBIZ-LLVKDONJSA-N 0 0 335.787 2.877 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001628954066 1100151413 /nfs/dbraw/zinc/15/14/13/1100151413.db2.gz AQIKEOVBFXBHIC-MRXNPFEDSA-N 0 0 338.455 2.773 10 10 EFCERN NC(=O)Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001629169181 1100174247 /nfs/dbraw/zinc/17/42/47/1100174247.db2.gz WWOHAGRKUNBBTN-UHFFFAOYSA-N 0 0 342.376 2.593 10 10 EFCERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001629634921 1100230892 /nfs/dbraw/zinc/23/08/92/1100230892.db2.gz JDGFNWKXTRSXIM-CQSZACIVSA-N 0 0 349.427 2.611 10 10 EFCERN CN1Cc2c(cccc2NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O ZINC001629803267 1100247217 /nfs/dbraw/zinc/24/72/17/1100247217.db2.gz PRNMOHCQNDARMF-UHFFFAOYSA-N 0 0 337.339 2.687 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCN1CC ZINC001629971834 1100264374 /nfs/dbraw/zinc/26/43/74/1100264374.db2.gz JIBLTXBMYUZUBK-ZDUSSCGKSA-N 0 0 341.249 2.597 10 10 EFCERN Cc1ccc([C@@H](O)CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001630019474 1100269737 /nfs/dbraw/zinc/26/97/37/1100269737.db2.gz VIMDLHSDLFSEMF-LBPRGKRZSA-N 0 0 333.365 2.677 10 10 EFCERN Cc1sc(CC(=O)NCc2ccc(O)c(O)c2)nc1-c1ccco1 ZINC001630273655 1100290366 /nfs/dbraw/zinc/29/03/66/1100290366.db2.gz RZVTWSFWAMLIAI-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NCc1ccc(O)cc1O ZINC001630301523 1100291371 /nfs/dbraw/zinc/29/13/71/1100291371.db2.gz DLXAWPZNAHIALM-MRXNPFEDSA-N 0 0 337.379 2.659 10 10 EFCERN Cc1oc(-c2ccco2)nc1CC(=O)NCc1ccc(O)cc1O ZINC001630301521 1100291446 /nfs/dbraw/zinc/29/14/46/1100291446.db2.gz DLDFMXRWAOUKHL-UHFFFAOYSA-N 0 0 328.324 2.513 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1nc2ccccc2nc1C1CC1 ZINC001630302345 1100292194 /nfs/dbraw/zinc/29/21/94/1100292194.db2.gz YMIUFZPQFZOZFE-UHFFFAOYSA-N 0 0 335.363 2.848 10 10 EFCERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(O)cc1O ZINC001630301961 1100292639 /nfs/dbraw/zinc/29/26/39/1100292639.db2.gz OMIPTKFSWZURHO-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN CCCOCc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001630351143 1100297476 /nfs/dbraw/zinc/29/74/76/1100297476.db2.gz FQJHVUNOLLKOMY-UHFFFAOYSA-N 0 0 329.396 2.883 10 10 EFCERN COc1cccc(CNC(=O)CCC(=O)c2c(F)cccc2F)c1O ZINC001630366898 1100298656 /nfs/dbraw/zinc/29/86/56/1100298656.db2.gz ZNWFIJTYTWGXHQ-UHFFFAOYSA-N 0 0 349.333 2.958 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3cccc(C)n32)c1 ZINC001630365651 1100299099 /nfs/dbraw/zinc/29/90/99/1100299099.db2.gz BOXDVESULOLMGB-GFCCVEGCSA-N 0 0 325.368 2.848 10 10 EFCERN COc1n[nH]c(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC001630683038 1100330309 /nfs/dbraw/zinc/33/03/09/1100330309.db2.gz CMMATYVQPKOUML-UHFFFAOYSA-N 0 0 325.372 2.782 10 10 EFCERN O=C(COc1ccsn1)NCc1ccc(N2CCCCC2)cc1 ZINC001630698466 1100330843 /nfs/dbraw/zinc/33/08/43/1100330843.db2.gz XWNWQASPNSQDCM-UHFFFAOYSA-N 0 0 331.441 2.829 10 10 EFCERN Cc1cc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC001630698361 1100331651 /nfs/dbraw/zinc/33/16/51/1100331651.db2.gz UMOVCEGCHPWWQX-UHFFFAOYSA-N 0 0 326.444 2.957 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc(CN2CCCCC2)cs1 ZINC001630806708 1100342767 /nfs/dbraw/zinc/34/27/67/1100342767.db2.gz MFRYIKOJUUHNBC-UHFFFAOYSA-N 0 0 347.440 2.721 10 10 EFCERN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C(N)=O)c1 ZINC001630864581 1100346851 /nfs/dbraw/zinc/34/68/51/1100346851.db2.gz RVFWDLAFTHNOBF-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN Nc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001631068881 1100367195 /nfs/dbraw/zinc/36/71/95/1100367195.db2.gz AUBVIXHORYEQLJ-UHFFFAOYSA-N 0 0 345.830 2.689 10 10 EFCERN CN(Cc1ccccc1O)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001631155464 1100375425 /nfs/dbraw/zinc/37/54/25/1100375425.db2.gz VWQLVRPFYWRXFK-UHFFFAOYSA-N 0 0 342.351 2.922 10 10 EFCERN CCOC(=O)[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC001631265814 1100383508 /nfs/dbraw/zinc/38/35/08/1100383508.db2.gz NQGNKNLOFBRVRG-KRWDZBQOSA-N 0 0 334.460 2.936 10 10 EFCERN Nc1c(Cl)cc(C(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC001631433813 1100397816 /nfs/dbraw/zinc/39/78/16/1100397816.db2.gz GQGNSYZIZLRYRN-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001631438630 1100399049 /nfs/dbraw/zinc/39/90/49/1100399049.db2.gz HWSHZFPCTUJYRJ-MRXNPFEDSA-N 0 0 347.317 2.824 10 10 EFCERN COCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccco1 ZINC001631458883 1100399965 /nfs/dbraw/zinc/39/99/65/1100399965.db2.gz DLKBGSNWVZOSDA-CYBMUJFWSA-N 0 0 330.344 2.950 10 10 EFCERN COc1cc(Cl)c(F)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001631510671 1100406581 /nfs/dbraw/zinc/40/65/81/1100406581.db2.gz VNUSHTLRKROHPI-UHFFFAOYSA-N 0 0 339.750 2.871 10 10 EFCERN COC(=O)/C=C\c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC001631542976 1100408741 /nfs/dbraw/zinc/40/87/41/1100408741.db2.gz OMYRBEVRQAXPEV-DHHDDZJSSA-N 0 0 345.351 2.671 10 10 EFCERN COc1cccc(CNC(=O)c2ncoc2CCC(F)(F)F)c1O ZINC001631539671 1100408759 /nfs/dbraw/zinc/40/87/59/1100408759.db2.gz AZLIPKGFIJCUMQ-UHFFFAOYSA-N 0 0 344.289 2.814 10 10 EFCERN O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1ccccc1O ZINC001631536385 1100409041 /nfs/dbraw/zinc/40/90/41/1100409041.db2.gz WHOBKNLHCDJKTJ-UHFFFAOYSA-N 0 0 342.370 2.517 10 10 EFCERN O=C(CCc1nc2cccnc2[nH]1)NCc1cc(Cl)ccc1O ZINC001632224018 1100460526 /nfs/dbraw/zinc/46/05/26/1100460526.db2.gz SVJVHGPITMHVGT-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN Cc1cc2nc(C)cc(C(=O)NCc3cc(Cl)ccc3O)n2n1 ZINC001632224116 1100460864 /nfs/dbraw/zinc/46/08/64/1100460864.db2.gz VJVRWIIZJXASNM-UHFFFAOYSA-N 0 0 330.775 2.635 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1O ZINC001632246224 1100461833 /nfs/dbraw/zinc/46/18/33/1100461833.db2.gz DQCQYFZVAMDUOG-QMTHXVAHSA-N 0 0 328.343 2.835 10 10 EFCERN Cc1cccc([C@H](CC(=O)N[C@@H](C)c2ccccc2O)NC(N)=O)c1 ZINC001632250026 1100462700 /nfs/dbraw/zinc/46/27/00/1100462700.db2.gz IKUMLTPJWGPXDB-BBRMVZONSA-N 0 0 341.411 2.678 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001632523080 1100480936 /nfs/dbraw/zinc/48/09/36/1100480936.db2.gz XXOKOSZHZONKFR-MAUKXSAKSA-N 0 0 345.370 2.816 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](COc2ccccc2)C1 ZINC001632643017 1100491328 /nfs/dbraw/zinc/49/13/28/1100491328.db2.gz WHLQVDXBIULEMJ-HNNXBMFYSA-N 0 0 327.380 2.568 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(C=O)c[nH]c2c1 ZINC001632681098 1100492911 /nfs/dbraw/zinc/49/29/11/1100492911.db2.gz MYVPDSYKANKPOS-NSHDSACASA-N 0 0 338.363 2.753 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2cccc(Cl)c12 ZINC001632680662 1100493049 /nfs/dbraw/zinc/49/30/49/1100493049.db2.gz BKNKWHDXOAZBGU-JTQLQIEISA-N 0 0 345.786 2.760 10 10 EFCERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC001632708744 1100495110 /nfs/dbraw/zinc/49/51/10/1100495110.db2.gz FABRBAFHQTVHJB-ZDUSSCGKSA-N 0 0 334.375 2.750 10 10 EFCERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001633022732 1100515638 /nfs/dbraw/zinc/51/56/38/1100515638.db2.gz ZBJDTGDDPZDFFI-LPXAQJHASA-N 0 0 325.364 2.792 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccc(Br)cc2N)c1 ZINC001633287244 1100533415 /nfs/dbraw/zinc/53/34/15/1100533415.db2.gz YXKLJUHRLKRXAK-UHFFFAOYSA-N 0 0 335.201 2.975 10 10 EFCERN COC[C@@H]1CCCN1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001633325083 1100537280 /nfs/dbraw/zinc/53/72/80/1100537280.db2.gz SFLROMQKPVNPKG-KRWDZBQOSA-N 0 0 345.418 2.989 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001633595240 1100552625 /nfs/dbraw/zinc/55/26/25/1100552625.db2.gz NMZZEZQWIZRIJV-UHFFFAOYSA-N 0 0 343.339 2.510 10 10 EFCERN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(O)ccc1O ZINC001633595265 1100553118 /nfs/dbraw/zinc/55/31/18/1100553118.db2.gz OOYOJTPHTPFEJK-LBPRGKRZSA-N 0 0 327.380 2.670 10 10 EFCERN O=C(NCc1nnc(C2CC2)o1)c1cc2cc(O)c(O)cc2s1 ZINC001633634701 1100555852 /nfs/dbraw/zinc/55/58/52/1100555852.db2.gz YJJOOJQJFXCNPD-UHFFFAOYSA-N 0 0 331.353 2.503 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(NC2CC2)n1 ZINC001633818040 1100567173 /nfs/dbraw/zinc/56/71/73/1100567173.db2.gz CJVRGBQGSROCKQ-NSHDSACASA-N 0 0 341.411 2.737 10 10 EFCERN CC(C)c1cc([C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)[nH]n1 ZINC001633886746 1100572924 /nfs/dbraw/zinc/57/29/24/1100572924.db2.gz GOEHUDRWXABRAU-AWEZNQCLSA-N 0 0 343.427 2.893 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)ccc(O)c1F ZINC001634387165 1100605773 /nfs/dbraw/zinc/60/57/73/1100605773.db2.gz NBNCXIQWTWYPLX-UHFFFAOYSA-N 0 0 334.322 2.776 10 10 EFCERN O=C(Nc1cn2cc(Br)ncc2n1)C1=CC(=O)CS1 ZINC001634650217 1100622625 /nfs/dbraw/zinc/62/26/25/1100622625.db2.gz PMEBYUCGRVGUOC-UHFFFAOYSA-N 0 0 339.174 2.511 10 10 EFCERN C[C@](O)(CCNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001634687829 1100624237 /nfs/dbraw/zinc/62/42/37/1100624237.db2.gz SXOSCWWWYZZDOJ-SFHVURJKSA-N 0 0 340.383 2.877 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccncn2)c1 ZINC001634866100 1100633478 /nfs/dbraw/zinc/63/34/78/1100633478.db2.gz YAIJBWTUGAJJGH-UHFFFAOYSA-N 0 0 334.379 2.627 10 10 EFCERN COCCn1nc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001634994682 1100639871 /nfs/dbraw/zinc/63/98/71/1100639871.db2.gz OAIFVWHEEGNLKA-UHFFFAOYSA-N 0 0 344.375 2.561 10 10 EFCERN Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2n1[C@H](C)CO ZINC001635453784 1100663085 /nfs/dbraw/zinc/66/30/85/1100663085.db2.gz WWPJNKHRVVMGFX-SNVBAGLBSA-N 0 0 341.367 2.562 10 10 EFCERN Cc1ncc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1C ZINC001635647719 1100671906 /nfs/dbraw/zinc/67/19/06/1100671906.db2.gz TVZNDJSWXSTBMS-UHFFFAOYSA-N 0 0 325.368 2.870 10 10 EFCERN O=C(NCc1cccc(Br)c1O)C1(c2cccnc2)CC1 ZINC001635840789 1100682942 /nfs/dbraw/zinc/68/29/42/1100682942.db2.gz WWPMQSHBPYJWHX-UHFFFAOYSA-N 0 0 347.212 2.898 10 10 EFCERN CCc1nocc1C(=O)NCc1cccc(Br)c1O ZINC001635839726 1100683049 /nfs/dbraw/zinc/68/30/49/1100683049.db2.gz KMVNSYJQFFJNCA-UHFFFAOYSA-N 0 0 325.162 2.635 10 10 EFCERN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1c(O)cccc1O ZINC001635846758 1100683703 /nfs/dbraw/zinc/68/37/03/1100683703.db2.gz AGHGYSAMKFWTDG-UHFFFAOYSA-N 0 0 333.771 2.545 10 10 EFCERN CCCOc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 ZINC001635843610 1100683977 /nfs/dbraw/zinc/68/39/77/1100683977.db2.gz ZVCXJIPYGNKSKE-UHFFFAOYSA-N 0 0 331.368 2.582 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001635849837 1100684549 /nfs/dbraw/zinc/68/45/49/1100684549.db2.gz BCPHLCMFRIPMCK-UHFFFAOYSA-N 0 0 342.351 2.744 10 10 EFCERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1O ZINC001635850885 1100684774 /nfs/dbraw/zinc/68/47/74/1100684774.db2.gz ULDBLPXQWDVRBA-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN CC(C)C[C@]1(C(=O)NCc2c(O)ccc3ccccc32)CCNC1=O ZINC001635968438 1100690264 /nfs/dbraw/zinc/69/02/64/1100690264.db2.gz AHFAHDFZDUTPFL-HXUWFJFHSA-N 0 0 340.423 2.714 10 10 EFCERN Cc1noc(C)c1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001636009231 1100693618 /nfs/dbraw/zinc/69/36/18/1100693618.db2.gz SDFAKAQTVFUGPO-UHFFFAOYSA-N 0 0 329.360 2.816 10 10 EFCERN O=C(NCc1ccccc1O)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001636058384 1100697249 /nfs/dbraw/zinc/69/72/49/1100697249.db2.gz ZRUKRUGOXSSIPS-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN COc1ccccc1-c1nnc(NC(=O)c2cccc(O)c2O)s1 ZINC001636140166 1100702393 /nfs/dbraw/zinc/70/23/93/1100702393.db2.gz SDYZORUFZFXXCZ-UHFFFAOYSA-N 0 0 343.364 2.877 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1cc2ccccc2s1 ZINC001636290220 1100711426 /nfs/dbraw/zinc/71/14/26/1100711426.db2.gz XHQQRVXQXDMXBN-UHFFFAOYSA-N 0 0 341.388 2.854 10 10 EFCERN CCOC(=O)/C=C/c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001636343844 1100714145 /nfs/dbraw/zinc/71/41/45/1100714145.db2.gz XXUWOTUANWSJOG-UXBLZVDNSA-N 0 0 341.363 2.855 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1c[nH]nc1-c1ccccn1 ZINC001637227389 1100765934 /nfs/dbraw/zinc/76/59/34/1100765934.db2.gz ZILLHHITAJNWIB-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC12CCC2 ZINC001637247097 1100767120 /nfs/dbraw/zinc/76/71/20/1100767120.db2.gz CRPNJQMXBNYBPM-CYBMUJFWSA-N 0 0 337.803 2.737 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC12CCC2 ZINC001637247098 1100767166 /nfs/dbraw/zinc/76/71/66/1100767166.db2.gz CRPNJQMXBNYBPM-ZDUSSCGKSA-N 0 0 337.803 2.737 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCOc2c(F)cccc21 ZINC001637554906 1100789547 /nfs/dbraw/zinc/78/95/47/1100789547.db2.gz BSPUQPDXPJSMAO-CQSZACIVSA-N 0 0 331.343 2.810 10 10 EFCERN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 ZINC001637594866 1100792844 /nfs/dbraw/zinc/79/28/44/1100792844.db2.gz DUMKPRRDFFOJQX-GRKKZTARSA-N 0 0 327.380 2.739 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCCO3)cc1 ZINC001637951461 1100820616 /nfs/dbraw/zinc/82/06/16/1100820616.db2.gz PAGHVAYWIDNKSQ-UHFFFAOYSA-N 0 0 326.312 2.873 10 10 EFCERN COc1ccc(CNC(=O)NCc2cccc3ncccc23)c(O)c1 ZINC001638195809 1100840751 /nfs/dbraw/zinc/84/07/51/1100840751.db2.gz QHDLPJOJLSRAQZ-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 ZINC001638244146 1100843933 /nfs/dbraw/zinc/84/39/33/1100843933.db2.gz UGGAAMQBZKIACA-ZDUSSCGKSA-N 0 0 348.309 2.591 10 10 EFCERN C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1cnccn1 ZINC001638273179 1100845748 /nfs/dbraw/zinc/84/57/48/1100845748.db2.gz QICWVHZHUNUXDU-ZDUSSCGKSA-N 0 0 344.378 2.929 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccnc(CO)c1 ZINC001638273324 1100845918 /nfs/dbraw/zinc/84/59/18/1100845918.db2.gz VTANZBRRLCOJRM-UHFFFAOYSA-N 0 0 345.362 2.536 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc2cccnc2c1 ZINC001638347192 1100850649 /nfs/dbraw/zinc/85/06/49/1100850649.db2.gz FLLIAAROXULXTF-CYBMUJFWSA-N 0 0 336.391 2.936 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001638353025 1100851152 /nfs/dbraw/zinc/85/11/52/1100851152.db2.gz ZKIKVVOEAJGHJI-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN CC(C)(C(=O)NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC001638352714 1100851277 /nfs/dbraw/zinc/85/12/77/1100851277.db2.gz VFVAYCADBPFPHN-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN Cc1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc(=O)[nH]1 ZINC001638387784 1100853917 /nfs/dbraw/zinc/85/39/17/1100853917.db2.gz WJZIIMQUPIOWAU-UHFFFAOYSA-N 0 0 330.365 2.652 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(C(F)F)ncn1 ZINC001638572948 1100869746 /nfs/dbraw/zinc/86/97/46/1100869746.db2.gz BYIYDJVFLQRIEH-UHFFFAOYSA-N 0 0 330.294 2.598 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc([N+](=O)[O-])ccc1F ZINC001638573486 1100871073 /nfs/dbraw/zinc/87/10/73/1100871073.db2.gz ZOAMKBFNWBSYRI-UHFFFAOYSA-N 0 0 341.298 2.918 10 10 EFCERN CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001638673682 1100877698 /nfs/dbraw/zinc/87/76/98/1100877698.db2.gz DXFDOKATCXBGCK-RBUKOAKNSA-N 0 0 342.439 2.855 10 10 EFCERN CCc1noc([C@@H]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)n1 ZINC001638743974 1100883664 /nfs/dbraw/zinc/88/36/64/1100883664.db2.gz WDRAOONYOBYARX-MNOVXSKESA-N 0 0 348.378 2.612 10 10 EFCERN CCc1n[nH]c(C(=O)NCc2c(O)cccc2F)c1Br ZINC001638863688 1100892062 /nfs/dbraw/zinc/89/20/62/1100892062.db2.gz QBVNMMYOHKOCEU-UHFFFAOYSA-N 0 0 342.168 2.509 10 10 EFCERN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001638864120 1100892580 /nfs/dbraw/zinc/89/25/80/1100892580.db2.gz WCETVYPKBCIWSU-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001639288977 1100934053 /nfs/dbraw/zinc/93/40/53/1100934053.db2.gz DNDNVHRGTLSQKB-HNNXBMFYSA-N 0 0 343.379 2.586 10 10 EFCERN CCCCNc1nc(CC(=O)NCc2c(O)cccc2O)cs1 ZINC001639292936 1100934702 /nfs/dbraw/zinc/93/47/02/1100934702.db2.gz WIBXALDISBTANB-UHFFFAOYSA-N 0 0 335.429 2.625 10 10 EFCERN Cc1ccc(-c2nc(CC(=O)NCc3c(O)cccc3O)cs2)o1 ZINC001639289786 1100935251 /nfs/dbraw/zinc/93/52/51/1100935251.db2.gz WJTXBWPUKWLTEJ-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncccc1N(C)C ZINC001639341549 1100939857 /nfs/dbraw/zinc/93/98/57/1100939857.db2.gz USTAMJJOXOXEMN-OAHLLOKOSA-N 0 0 340.471 2.883 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC(c2ccccn2)=NO1 ZINC001639388023 1100943001 /nfs/dbraw/zinc/94/30/01/1100943001.db2.gz VNQDHHZJXGEEJN-IBGZPJMESA-N 0 0 347.374 2.750 10 10 EFCERN O=C(COc1ccc(CO)cc1)NCc1c(O)ccc2ccccc21 ZINC001639387139 1100943080 /nfs/dbraw/zinc/94/30/80/1100943080.db2.gz FPRNACNEGUDSJG-UHFFFAOYSA-N 0 0 337.375 2.733 10 10 EFCERN COC(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc32)ccn1 ZINC001639384835 1100943605 /nfs/dbraw/zinc/94/36/05/1100943605.db2.gz XAZSWECQESUAFD-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN O=C(COCc1nc2ccccc2s1)NCc1ccc(O)cc1O ZINC001639441203 1100949495 /nfs/dbraw/zinc/94/94/95/1100949495.db2.gz MLTFBCFORYZSRL-UHFFFAOYSA-N 0 0 344.392 2.541 10 10 EFCERN COc1ccc(CNC(=O)c2cc(Br)co2)c(O)c1 ZINC001639455599 1100952093 /nfs/dbraw/zinc/95/20/93/1100952093.db2.gz BKEHQQIFKRVFET-UHFFFAOYSA-N 0 0 326.146 2.686 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(-c2nc[nH]n2)cc1 ZINC001639621909 1100967327 /nfs/dbraw/zinc/96/73/27/1100967327.db2.gz ZLCHQAJNCVMPGP-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2cccnc2c1O ZINC001639621484 1100967760 /nfs/dbraw/zinc/96/77/60/1100967760.db2.gz GWMBNVFTIYESTF-UHFFFAOYSA-N 0 0 337.335 2.708 10 10 EFCERN COC(=O)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001639920155 1100995861 /nfs/dbraw/zinc/99/58/61/1100995861.db2.gz MRIGASILHCZKCQ-UHFFFAOYSA-N 0 0 347.348 2.622 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCc3cc(Cl)ccc3O)[nH]n2)c1 ZINC001639965432 1100999578 /nfs/dbraw/zinc/99/95/78/1100999578.db2.gz JENNBUCIZHHHLT-UHFFFAOYSA-N 0 0 330.775 2.704 10 10 EFCERN Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640133745 1101017271 /nfs/dbraw/zinc/01/72/71/1101017271.db2.gz QIDMIMLSCREHOF-CYBMUJFWSA-N 0 0 342.359 2.686 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC001640247802 1101028518 /nfs/dbraw/zinc/02/85/18/1101028518.db2.gz ITLDUFNEFXPMRJ-OAHLLOKOSA-N 0 0 339.317 2.850 10 10 EFCERN COc1ccc(C=O)c(OCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001640404763 1101043217 /nfs/dbraw/zinc/04/32/17/1101043217.db2.gz FXJZERBKLPJRCO-UHFFFAOYSA-N 0 0 349.770 2.562 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(Cn2cncn2)cc1 ZINC001640401713 1101043485 /nfs/dbraw/zinc/04/34/85/1101043485.db2.gz BRPBDEWTVLANCD-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1=CCOCC1 ZINC000840382773 1101049492 /nfs/dbraw/zinc/04/94/92/1101049492.db2.gz TUROZVMXEUPXDT-OAHLLOKOSA-N 0 0 331.460 2.638 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cc1 ZINC001640559240 1101059080 /nfs/dbraw/zinc/05/90/80/1101059080.db2.gz GXFUDCMNFGYWDU-HRCADAONSA-N 0 0 339.439 2.832 10 10 EFCERN CN=[S@@](C)(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001640687902 1101071417 /nfs/dbraw/zinc/07/14/17/1101071417.db2.gz ICFIZEGTXJDYBB-QHCPKHFHSA-N 0 0 334.397 2.745 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-n2ccnc2)nc1 ZINC001640919875 1101087886 /nfs/dbraw/zinc/08/78/86/1101087886.db2.gz DADHXRLVDGBRTA-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(C(=O)NCCOC(=O)N(C)C)c(C)n1-c1cccc(C)c1 ZINC001640962181 1101092316 /nfs/dbraw/zinc/09/23/16/1101092316.db2.gz BGUSRMBQCVQSSW-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN COC(=O)[C@H]1C[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001641175989 1101111492 /nfs/dbraw/zinc/11/14/92/1101111492.db2.gz GDLRBNSXFHPMCA-QAQDUYKDSA-N 0 0 340.423 2.704 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](C)COc2c(F)cccc2F)c(O)c1O ZINC001641208176 1101114672 /nfs/dbraw/zinc/11/46/72/1101114672.db2.gz PUFGAJVQZRJUKH-JTQLQIEISA-N 0 0 337.322 2.882 10 10 EFCERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC001641728801 1101159787 /nfs/dbraw/zinc/15/97/87/1101159787.db2.gz HOSRRWMYFIUKLP-AWEZNQCLSA-N 0 0 336.391 2.832 10 10 EFCERN Cn1c2ccccc2sc1=NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001642080201 1101188399 /nfs/dbraw/zinc/18/83/99/1101188399.db2.gz SNMSYLYPNKCFOH-KWJPBRIFSA-N 0 0 326.377 2.792 10 10 EFCERN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001642241646 1101200075 /nfs/dbraw/zinc/20/00/75/1101200075.db2.gz NARQECWPSZKMCI-UHFFFAOYSA-N 0 0 342.403 2.881 10 10 EFCERN Oc1ccc(CCNc2ncnc3c2ncn3-c2ccccc2)cc1O ZINC001642364739 1101208244 /nfs/dbraw/zinc/20/82/44/1101208244.db2.gz HQDXDTJQXQIXNI-UHFFFAOYSA-N 0 0 347.378 2.881 10 10 EFCERN CCOC(=O)c1cc(C(C)C)nc(NCCc2ccc(O)c(O)c2)n1 ZINC001642364696 1101208256 /nfs/dbraw/zinc/20/82/56/1101208256.db2.gz GJPNSOJFEQIWLB-UHFFFAOYSA-N 0 0 345.399 2.843 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2n[nH]nc2C)ccc1C ZINC001642453086 1101214687 /nfs/dbraw/zinc/21/46/87/1101214687.db2.gz RJHUCPGXQNPROA-UHFFFAOYSA-N 0 0 337.383 2.894 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccncc1Br ZINC001642517366 1101219969 /nfs/dbraw/zinc/21/99/69/1101219969.db2.gz FUKVHTINEZJOPY-RQOWECAXSA-N 0 0 349.184 2.585 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc1 ZINC001642843741 1101248220 /nfs/dbraw/zinc/24/82/20/1101248220.db2.gz WDVBRIGGBXGRMP-INIZCTEOSA-N 0 0 337.383 2.636 10 10 EFCERN O=C(COc1ccc(F)cc1Cl)NCc1ccc(O)cc1O ZINC001643101116 1101270055 /nfs/dbraw/zinc/27/00/55/1101270055.db2.gz WAVXPEOYTIFDSC-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN O=C(CSCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001643168832 1101276941 /nfs/dbraw/zinc/27/69/41/1101276941.db2.gz KOUCHZDYPQXFHQ-UHFFFAOYSA-N 0 0 327.405 2.851 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1COc2ccccc2C1 ZINC001643282840 1101287013 /nfs/dbraw/zinc/28/70/13/1101287013.db2.gz BHYKYKMJFVZVEK-MRXNPFEDSA-N 0 0 334.375 2.808 10 10 EFCERN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1Cl ZINC001643283282 1101287344 /nfs/dbraw/zinc/28/73/44/1101287344.db2.gz OGMGJIUGGPKWEQ-UHFFFAOYSA-N 0 0 343.770 2.927 10 10 EFCERN COc1cccn2ncc(C(=O)NCc3ccc4cccnc4c3O)c12 ZINC001643284990 1101287681 /nfs/dbraw/zinc/28/76/81/1101287681.db2.gz OZVWBSHPGLBZHB-UHFFFAOYSA-N 0 0 348.362 2.527 10 10 EFCERN COCn1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC001643368192 1101293368 /nfs/dbraw/zinc/29/33/68/1101293368.db2.gz VMDHOYLBSAHZNC-UHFFFAOYSA-N 0 0 325.372 2.542 10 10 EFCERN Cc1cc(C(=O)Cn2nc(C)oc2=O)c(C)n1-c1ccc(F)cc1 ZINC001652097504 1101433819 /nfs/dbraw/zinc/43/38/19/1101433819.db2.gz MIGNWXSVQRRATM-UHFFFAOYSA-N 0 0 329.331 2.574 10 10 EFCERN Cn1ccc(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1 ZINC001652159910 1101445747 /nfs/dbraw/zinc/44/57/47/1101445747.db2.gz KPJAPEAACCLTRQ-UHFFFAOYSA-N 0 0 340.387 2.602 10 10 EFCERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2c(O)cccc2F)c1 ZINC001652295714 1101470720 /nfs/dbraw/zinc/47/07/20/1101470720.db2.gz QEKITXXWGQZPNM-LBPRGKRZSA-N 0 0 331.343 2.818 10 10 EFCERN O=C(Cc1cnn(-c2ccccc2)c1)NCc1c(O)cccc1F ZINC001652295046 1101470830 /nfs/dbraw/zinc/47/08/30/1101470830.db2.gz ADEYPQFCBNSVRA-UHFFFAOYSA-N 0 0 325.343 2.576 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(Br)cc1O ZINC001652298883 1101471927 /nfs/dbraw/zinc/47/19/27/1101471927.db2.gz SEBMACZNYADOSI-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cn1 ZINC001652610567 1101519589 /nfs/dbraw/zinc/51/95/89/1101519589.db2.gz UCPPFHSGPQCFSK-UHFFFAOYSA-N 0 0 343.318 2.616 10 10 EFCERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(O)cccc1O ZINC001652622955 1101521575 /nfs/dbraw/zinc/52/15/75/1101521575.db2.gz KXYILLUOASVDEQ-SNVBAGLBSA-N 0 0 348.380 2.803 10 10 EFCERN COc1cc(OC2CC2)ccc1C(=O)NCc1c(O)cccc1O ZINC001652625689 1101521981 /nfs/dbraw/zinc/52/19/81/1101521981.db2.gz IVQRFDVSMHLLIH-UHFFFAOYSA-N 0 0 329.352 2.578 10 10 EFCERN CCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1OCC ZINC001652622949 1101522067 /nfs/dbraw/zinc/52/20/67/1101522067.db2.gz KWOLABOCOXWKPL-UHFFFAOYSA-N 0 0 331.368 2.825 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1c(F)cccc1F ZINC001652625298 1101522589 /nfs/dbraw/zinc/52/25/89/1101522589.db2.gz AKOZEJKVGLRXQA-UHFFFAOYSA-N 0 0 345.305 2.696 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(n1)OCCO2 ZINC001652709317 1101533260 /nfs/dbraw/zinc/53/32/60/1101533260.db2.gz ZOJHZPVCRMEZBA-UHFFFAOYSA-N 0 0 336.347 2.642 10 10 EFCERN COc1ccccc1[C@@H](O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652708415 1101533532 /nfs/dbraw/zinc/53/35/32/1101533532.db2.gz CZVZCNCJXOYIJQ-LJQANCHMSA-N 0 0 337.375 2.904 10 10 EFCERN Cc1noc(Cc2ccc(NC(=O)c3cccc(O)c3O)cc2)n1 ZINC001652984059 1101573783 /nfs/dbraw/zinc/57/37/83/1101573783.db2.gz NWSRSWVEOUTOHE-UHFFFAOYSA-N 0 0 325.324 2.632 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC001653160673 1101592336 /nfs/dbraw/zinc/59/23/36/1101592336.db2.gz KGRPSNYZYWZKNF-HIFRSBDPSA-N 0 0 330.388 2.784 10 10 EFCERN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(N)c1[N+](=O)[O-] ZINC001653214691 1101597428 /nfs/dbraw/zinc/59/74/28/1101597428.db2.gz MBIUMDMSYURMCF-QPJJXVBHSA-N 0 0 329.312 2.549 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001653233043 1101600826 /nfs/dbraw/zinc/60/08/26/1101600826.db2.gz FWONJMKKGUXQEQ-AWEZNQCLSA-N 0 0 326.318 2.747 10 10 EFCERN O=C(Nc1ccnn1C1CCOCC1)c1ccc(C2=S=CC=C2)o1 ZINC001653424796 1101621281 /nfs/dbraw/zinc/62/12/81/1101621281.db2.gz LXQKECWCGCIEHS-UHFFFAOYSA-N 0 0 343.408 2.706 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccc(N2CCOC2=O)cc1 ZINC001653563525 1101630864 /nfs/dbraw/zinc/63/08/64/1101630864.db2.gz ATSSNEPWYUSINX-UHFFFAOYSA-N 0 0 346.770 2.932 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001653598046 1101635084 /nfs/dbraw/zinc/63/50/84/1101635084.db2.gz CWEPLKPITMLUAV-INIZCTEOSA-N 0 0 341.407 2.970 10 10 EFCERN CCN(CC1=NS(=O)(=O)c2ccccc21)c1ccc(OC)cc1 ZINC001653661495 1101640542 /nfs/dbraw/zinc/64/05/42/1101640542.db2.gz MPLDXMAAVUQOLB-UHFFFAOYSA-N 0 0 330.409 2.713 10 10 EFCERN CCOC(=O)CN(CCN(C)c1ccccc1)Cc1ccccc1O ZINC001653969908 1101666605 /nfs/dbraw/zinc/66/66/05/1101666605.db2.gz MYCXCECDQRAROC-UHFFFAOYSA-N 0 0 342.439 2.894 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnc2ccnn2c1C(F)F ZINC001654209728 1101693444 /nfs/dbraw/zinc/69/34/44/1101693444.db2.gz YMOUQSYYUKIHQK-UHFFFAOYSA-N 0 0 332.310 2.645 10 10 EFCERN Cc1nc2nc(C)cc(N(C)Cc3ccc(N4CCCC4)cc3)n2n1 ZINC001654934758 1101770977 /nfs/dbraw/zinc/77/09/77/1101770977.db2.gz REDHGXMMGSIYPH-UHFFFAOYSA-N 0 0 336.443 2.978 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC(=O)NC[C@@H]2C(C)(C)C)c1O ZINC001655695701 1101874549 /nfs/dbraw/zinc/87/45/49/1101874549.db2.gz LPXSDWADRQVBEJ-CQSZACIVSA-N 0 0 338.835 2.595 10 10 EFCERN Oc1cccc(F)c1CNc1ncc(I)cn1 ZINC001655876041 1101905035 /nfs/dbraw/zinc/90/50/35/1101905035.db2.gz MHNMQIGZZMBVRX-UHFFFAOYSA-N 0 0 345.115 2.538 10 10 EFCERN COC(=O)C=Cc1ccc(N(C)Cc2cccc(=O)[nH]2)c([N+](=O)[O-])c1 ZINC001655887794 1101906237 /nfs/dbraw/zinc/90/62/37/1101906237.db2.gz WTZLBZWYSZEZOQ-CLFYSBASSA-N 0 0 343.339 2.518 10 10 EFCERN COC(=O)c1cc(OCc2nc(-c3ccco3)no2)ccc1N(C)C ZINC001656825881 1102214807 /nfs/dbraw/zinc/21/48/07/1102214807.db2.gz IZDFUGIWOQAFIC-UHFFFAOYSA-N 0 0 343.339 2.761 10 10 EFCERN COC(=O)c1cc(OCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1N(C)C ZINC001656825980 1102214999 /nfs/dbraw/zinc/21/49/99/1102214999.db2.gz KEBVFLTUTJWRAF-CZUORRHYSA-N 0 0 348.443 2.613 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3cccnc32)C1 ZINC001266788571 1102239117 /nfs/dbraw/zinc/23/91/17/1102239117.db2.gz UVXQRBAPZYWLIM-CQSZACIVSA-N 0 0 329.400 2.584 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001167290996 1102321566 /nfs/dbraw/zinc/32/15/66/1102321566.db2.gz PEIDESAIMNQBTK-LBPRGKRZSA-N 0 0 346.814 2.789 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000843550261 1102466446 /nfs/dbraw/zinc/46/64/46/1102466446.db2.gz FMOHHXHKPAXUMO-CYBMUJFWSA-N 0 0 326.444 2.770 10 10 EFCERN CCOC(=O)c1ccccc1NC(=O)CN(C)c1ccc(OC)cc1 ZINC001659288322 1102530432 /nfs/dbraw/zinc/53/04/32/1102530432.db2.gz LRBRFRLORYOGNU-UHFFFAOYSA-N 0 0 342.395 2.947 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@](C)(CO)Oc3ccccc32)c1O ZINC001659680469 1102558346 /nfs/dbraw/zinc/55/83/46/1102558346.db2.gz NEICKRBVENXAII-IBGZPJMESA-N 0 0 345.370 2.884 10 10 EFCERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840998368 1102714181 /nfs/dbraw/zinc/71/41/81/1102714181.db2.gz BHLLRJYEPZGULB-HNNXBMFYSA-N 0 0 343.379 2.687 10 10 EFCERN COc1ccc(N(CCOCCO)Cc2ccccc2)cc1OC ZINC001660711759 1102941791 /nfs/dbraw/zinc/94/17/91/1102941791.db2.gz RRDORBMMZCZXHZ-UHFFFAOYSA-N 0 0 331.412 2.719 10 10 EFCERN NC(=O)c1ccc(NC(=S)NCc2nccc3c2CCCC3)cc1 ZINC000905616257 1103419319 /nfs/dbraw/zinc/41/93/19/1103419319.db2.gz RJQKWGDDCUUBQS-UHFFFAOYSA-N 0 0 340.452 2.546 10 10 EFCERN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCO1 ZINC000906261847 1104077506 /nfs/dbraw/zinc/07/75/06/1104077506.db2.gz ZSWMMXLDVAQVTB-WMLDXEAASA-N 0 0 334.485 2.671 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000906419425 1104201799 /nfs/dbraw/zinc/20/17/99/1104201799.db2.gz JJMZMRDLLDKPAD-KYNGSXCRSA-N 0 0 344.455 2.516 10 10 EFCERN COC1(C(F)(F)F)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001671851087 1105714352 /nfs/dbraw/zinc/71/43/52/1105714352.db2.gz AUUGASIAHZFEFG-LLVKDONJSA-N 0 0 345.365 2.786 10 10 EFCERN CO[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001672897843 1105931664 /nfs/dbraw/zinc/93/16/64/1105931664.db2.gz OHYUVUVKZZONPZ-QZTJIDSGSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@]2(C1)CCCOC2 ZINC000897698016 1106052013 /nfs/dbraw/zinc/05/20/13/1106052013.db2.gz KHIJEUZEJVSNGM-KRWDZBQOSA-N 0 0 333.409 2.955 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](n2cccn2)C1 ZINC000897813631 1106091294 /nfs/dbraw/zinc/09/12/94/1106091294.db2.gz XHYSLWRDCDOGDS-NSHDSACASA-N 0 0 329.381 2.596 10 10 EFCERN CC[C@H]1CN(CC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897913443 1106146622 /nfs/dbraw/zinc/14/66/22/1106146622.db2.gz NYBUZFGJVBUJOB-LBPRGKRZSA-N 0 0 334.441 2.869 10 10 EFCERN C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)c2nccn21 ZINC000897913516 1106146846 /nfs/dbraw/zinc/14/68/46/1106146846.db2.gz QAKRLTWFGSYWHM-SCZZXKLOSA-N 0 0 329.381 2.945 10 10 EFCERN CC(=O)c1cn(C2CN(Cc3cc(-c4ccccc4)ccc3O)C2)nn1 ZINC000897937687 1106159554 /nfs/dbraw/zinc/15/95/54/1106159554.db2.gz UMGCVTDBCCNERD-UHFFFAOYSA-N 0 0 348.406 2.910 10 10 EFCERN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000088547721 1106169304 /nfs/dbraw/zinc/16/93/04/1106169304.db2.gz ZLMAQMCEKVHQHS-UHFFFAOYSA-N 0 0 348.424 2.724 10 10 EFCERN O=C(NCc1nnc(C2CC2)s1)c1cc2cc(O)c(O)cc2s1 ZINC000897981906 1106184562 /nfs/dbraw/zinc/18/45/62/1106184562.db2.gz NLDKPPOLUNDVCE-UHFFFAOYSA-N 0 0 347.421 2.971 10 10 EFCERN Cc1sc(CC(=O)NCc2ccc(O)cc2O)nc1-c1ccco1 ZINC001142532976 1106238482 /nfs/dbraw/zinc/23/84/82/1106238482.db2.gz BCEJYFDIKKDEDK-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN CN(C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC001142533190 1106238605 /nfs/dbraw/zinc/23/86/05/1106238605.db2.gz FZRQKQJQTJWQCO-MRXNPFEDSA-N 0 0 334.803 2.670 10 10 EFCERN CC1(C)CCc2[nH]c(=O)c(C(=O)NCc3ccc(O)cc3O)cc2C1 ZINC001142533206 1106238612 /nfs/dbraw/zinc/23/86/12/1106238612.db2.gz GXXFKJBHILGKNM-UHFFFAOYSA-N 0 0 342.395 2.643 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccccc2Cl)n1 ZINC001142534082 1106239422 /nfs/dbraw/zinc/23/94/22/1106239422.db2.gz ZGSIVQITKRTUMZ-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c1 ZINC001676872399 1106611108 /nfs/dbraw/zinc/61/11/08/1106611108.db2.gz AENBMOWFVYDTTI-MRVPVSSYSA-N 0 0 344.293 2.663 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000093479720 1107176690 /nfs/dbraw/zinc/17/66/90/1107176690.db2.gz DRIFTRCVNWEZJD-XFLKPENQSA-N 0 0 326.780 2.547 10 10 EFCERN CN1C(=O)N(CCCSc2nccs2)C(=O)[C@@H]1c1cccnc1 ZINC000924641151 1108243306 /nfs/dbraw/zinc/24/33/06/1108243306.db2.gz QEAIHFBEWMAFNM-LBPRGKRZSA-N 0 0 348.453 2.656 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926961731 1108305244 /nfs/dbraw/zinc/30/52/44/1108305244.db2.gz JKQAZCVZHLKLIC-IINYFYTJSA-N 0 0 348.365 2.712 10 10 EFCERN CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001681527200 1108319368 /nfs/dbraw/zinc/31/93/68/1108319368.db2.gz QLGSQDBLDXWJOO-VXGBXAGGSA-N 0 0 347.419 2.662 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC3(C)C)CC2)c(OC)c1 ZINC001682224235 1108603529 /nfs/dbraw/zinc/60/35/29/1108603529.db2.gz DKKLOEWWJMNAEG-QGZVFWFLSA-N 0 0 347.459 2.724 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](OC)C3CCCCC3)CC2)cc1 ZINC001127277104 1108671663 /nfs/dbraw/zinc/67/16/63/1108671663.db2.gz STSDBGLTTIFPCR-LJQANCHMSA-N 0 0 346.471 2.939 10 10 EFCERN O=C(COC(=O)C1(C(F)(F)F)CCCC1)c1ccc(O)c(O)c1 ZINC000842133448 1109006136 /nfs/dbraw/zinc/00/61/36/1109006136.db2.gz JSVKFFUXXFBHLQ-UHFFFAOYSA-N 0 0 332.274 2.946 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898675849 1109052538 /nfs/dbraw/zinc/05/25/38/1109052538.db2.gz FLNAEULNWZHKAW-BLLLJJGKSA-N 0 0 336.819 2.804 10 10 EFCERN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898808032 1109089886 /nfs/dbraw/zinc/08/98/86/1109089886.db2.gz JFYALKGXLSOYSZ-KOLCDFICSA-N 0 0 349.408 2.726 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000898977645 1109156819 /nfs/dbraw/zinc/15/68/19/1109156819.db2.gz OIUMSIVLSXCLIS-GXSJLCMTSA-N 0 0 349.408 2.584 10 10 EFCERN CCOC(=O)C1=CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899136656 1109221595 /nfs/dbraw/zinc/22/15/95/1109221595.db2.gz QXTVJWZYUNISKG-NSHDSACASA-N 0 0 347.392 2.694 10 10 EFCERN CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899162498 1109232858 /nfs/dbraw/zinc/23/28/58/1109232858.db2.gz CFHNVDYWJLKGIJ-GHMZBOCLSA-N 0 0 335.425 2.982 10 10 EFCERN O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc2cc(O)c(O)cc2s1 ZINC000899194113 1109239012 /nfs/dbraw/zinc/23/90/12/1109239012.db2.gz XVYXCTCSSNTHQG-PUYPPJJSSA-N 0 0 333.409 3.000 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CC(CC3CCOCC3)C2)cc1 ZINC000899214932 1109250332 /nfs/dbraw/zinc/25/03/32/1109250332.db2.gz GSZVIJGBRXGJSE-UHFFFAOYSA-N 0 0 330.388 2.738 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899624727 1109416690 /nfs/dbraw/zinc/41/66/90/1109416690.db2.gz KWLCLFGSLRMSTJ-QMTHXVAHSA-N 0 0 333.409 2.954 10 10 EFCERN CCO[C@@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000920337736 1112338363 /nfs/dbraw/zinc/33/83/63/1112338363.db2.gz YHWKJIPVVIGOHX-IUCKJTJTSA-N 0 0 334.372 2.786 10 10 EFCERN COCCCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000184880451 1119576262 /nfs/dbraw/zinc/57/62/62/1119576262.db2.gz VZQNUWDPHNTJSX-UHFFFAOYSA-N 0 0 341.473 2.893 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CC3(CC3)c3ccccc32)cc1 ZINC000185307658 1119993273 /nfs/dbraw/zinc/99/32/73/1119993273.db2.gz JWAOSCCNDSTLBV-UHFFFAOYSA-N 0 0 335.451 2.921 10 10 EFCERN CS[C@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000154630685 295667712 /nfs/dbraw/zinc/66/77/12/295667712.db2.gz SFPRIEYIGSEHCV-JTQLQIEISA-N 0 0 337.401 2.648 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000176136817 530003665 /nfs/dbraw/zinc/00/36/65/530003665.db2.gz KGNQAOCJWVOBIR-LJQANCHMSA-N 0 0 348.443 2.998 10 10 EFCERN COCCNC(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000012551315 201854174 /nfs/dbraw/zinc/85/41/74/201854174.db2.gz ORHBGLIVJVGQIB-QPJJXVBHSA-N 0 0 342.395 2.599 10 10 EFCERN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccccn1 ZINC000015366338 201955842 /nfs/dbraw/zinc/95/58/42/201955842.db2.gz PZWYQNMNMHQXSI-UHFFFAOYSA-N 0 0 349.390 2.850 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296029289 290850778 /nfs/dbraw/zinc/85/07/78/290850778.db2.gz OXKMRVUQWUHWJW-HZRUHFOJSA-N 0 0 348.399 2.768 10 10 EFCERN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784020 202071284 /nfs/dbraw/zinc/07/12/84/202071284.db2.gz MTHJHMCYZUHYET-VIFPVBQESA-N 0 0 347.396 2.570 10 10 EFCERN COc1cccc([C@@H]2Nc3cc(OC)c(OC)cc3C(=O)N2C)c1O ZINC000030540422 202196034 /nfs/dbraw/zinc/19/60/34/202196034.db2.gz MHUWYDSGACLYFY-QGZVFWFLSA-N 0 0 344.367 2.614 10 10 EFCERN Oc1ccc(Br)cc1[C@H](c1ccncc1)N1CCOCC1 ZINC000032601752 202228687 /nfs/dbraw/zinc/22/86/87/202228687.db2.gz IBQNVZNRMRUTBK-INIZCTEOSA-N 0 0 349.228 2.971 10 10 EFCERN CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000032906365 202240430 /nfs/dbraw/zinc/24/04/30/202240430.db2.gz PWZJBKIVSCBJLG-ZDUSSCGKSA-N 0 0 345.418 2.878 10 10 EFCERN CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C ZINC000032932999 202243685 /nfs/dbraw/zinc/24/36/85/202243685.db2.gz FVVIPAJHCMVHEH-INIZCTEOSA-N 0 0 329.448 2.683 10 10 EFCERN CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C ZINC000032932998 202244214 /nfs/dbraw/zinc/24/42/14/202244214.db2.gz FVVIPAJHCMVHEH-MRXNPFEDSA-N 0 0 329.448 2.683 10 10 EFCERN COCCN1C(=O)C(=Cc2ccc(N3CCCC3)cc2C)NC1=S ZINC000033715981 212960764 /nfs/dbraw/zinc/96/07/64/212960764.db2.gz NAXOFQYNHADUQK-FOWTUZBSSA-N 0 0 345.468 2.711 10 10 EFCERN Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000034957438 202282758 /nfs/dbraw/zinc/28/27/58/202282758.db2.gz QWPQLLXNTOKFIR-UHFFFAOYSA-N 0 0 327.203 2.832 10 10 EFCERN Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c(C)n1-c1ccccn1 ZINC000069921925 202297165 /nfs/dbraw/zinc/29/71/65/202297165.db2.gz RQEUOAMISGGAQD-KRWDZBQOSA-N 0 0 349.438 2.990 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000077776918 238834578 /nfs/dbraw/zinc/83/45/78/238834578.db2.gz YPVSNHYHPCEGHW-SJLPKXTDSA-N 0 0 331.460 2.637 10 10 EFCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159088160 239021441 /nfs/dbraw/zinc/02/14/41/239021441.db2.gz AWNAUKUSZDNVOW-XHDPSFHLSA-N 0 0 340.379 2.622 10 10 EFCERN COc1cc(O)c(CN2CCc3c(nc(C(C)C)n3C)C2)cc1OC ZINC000160265608 239048201 /nfs/dbraw/zinc/04/82/01/239048201.db2.gz AEVOLJSRRYJLAD-UHFFFAOYSA-N 0 0 345.443 2.825 10 10 EFCERN Nc1ccc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000162882744 239099422 /nfs/dbraw/zinc/09/94/22/239099422.db2.gz YWVWGCDHTKSVCT-CVEARBPZSA-N 0 0 330.453 2.988 10 10 EFCERN Cc1cnc(CCN(C)C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000165651703 239122781 /nfs/dbraw/zinc/12/27/81/239122781.db2.gz CVQGLCQZJFDHIN-UHFFFAOYSA-N 0 0 332.473 2.902 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172631680 239173504 /nfs/dbraw/zinc/17/35/04/239173504.db2.gz FNVKEFQBDFQOLU-UXHICEINSA-N 0 0 349.434 2.520 10 10 EFCERN COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC)c1OC ZINC000026378547 201386620 /nfs/dbraw/zinc/38/66/20/201386620.db2.gz UJEJKGCTUWVBRI-UHFFFAOYSA-N 0 0 344.319 2.897 10 10 EFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc(C)cc1 ZINC000177412756 239373174 /nfs/dbraw/zinc/37/31/74/239373174.db2.gz CJIMTHKHEDTJBS-MRXNPFEDSA-N 0 0 333.453 2.672 10 10 EFCERN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000193092481 240086344 /nfs/dbraw/zinc/08/63/44/240086344.db2.gz ZNXLUGVTTVYLQL-ZBEGNZNMSA-N 0 0 331.343 2.839 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCC(=O)N3)cc2)CC1 ZINC000194067792 240138961 /nfs/dbraw/zinc/13/89/61/240138961.db2.gz OAHLKXSMZZSNAD-SFHVURJKSA-N 0 0 343.471 2.598 10 10 EFCERN CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926259 240188272 /nfs/dbraw/zinc/18/82/72/240188272.db2.gz NXHVFTYJBYOLDI-CYBMUJFWSA-N 0 0 346.431 2.620 10 10 EFCERN CN(C)c1noc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000194938928 240188842 /nfs/dbraw/zinc/18/88/42/240188842.db2.gz DTUQJASYSDNDGA-NSHDSACASA-N 0 0 336.823 2.874 10 10 EFCERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237598152 240246457 /nfs/dbraw/zinc/24/64/57/240246457.db2.gz XOOMUIMEPYPEST-ZAMGYDSWSA-N 0 0 330.453 2.768 10 10 EFCERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237407367 240243677 /nfs/dbraw/zinc/24/36/77/240243677.db2.gz XOOMUIMEPYPEST-ZLOXQWCVSA-N 0 0 330.453 2.768 10 10 EFCERN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O ZINC000248897902 240297427 /nfs/dbraw/zinc/29/74/27/240297427.db2.gz VTVQTOXKTFBPHZ-RBSFLKMASA-N 0 0 341.835 2.823 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251626848 240305138 /nfs/dbraw/zinc/30/51/38/240305138.db2.gz GSMWWOSEEODFGI-RCCFBDPRSA-N 0 0 329.444 2.654 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000246725469 240271377 /nfs/dbraw/zinc/27/13/77/240271377.db2.gz DJWBQAVBKAVZAJ-GVDBMIGSSA-N 0 0 331.460 2.708 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000247233836 240278363 /nfs/dbraw/zinc/27/83/63/240278363.db2.gz ZKDLMWQMWDIWPZ-IAOVAPTHSA-N 0 0 346.427 2.548 10 10 EFCERN O=C(NCc1ccccc1O)NC1CCN(c2ccccc2)CC1 ZINC000263734509 240386665 /nfs/dbraw/zinc/38/66/65/240386665.db2.gz NKKZYSACKAHZIM-UHFFFAOYSA-N 0 0 325.412 2.860 10 10 EFCERN COc1ccc(CCCNC(=O)NCc2ccccc2O)cc1OC ZINC000263695959 240389388 /nfs/dbraw/zinc/38/93/88/240389388.db2.gz HMSHIQARYKTUEE-UHFFFAOYSA-N 0 0 344.411 2.841 10 10 EFCERN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3O)CCO2)c1 ZINC000272763848 240680019 /nfs/dbraw/zinc/68/00/19/240680019.db2.gz QSHOOAIFJSYBIZ-INIZCTEOSA-N 0 0 343.379 2.629 10 10 EFCERN CN1CCCc2cc(CN3C(=O)[C@@H]4[C@H]5CCC[C@H]5CN4C3=O)ccc21 ZINC000277911513 240793765 /nfs/dbraw/zinc/79/37/65/240793765.db2.gz PXXGFVKWYKQMLM-BQFCYCMXSA-N 0 0 339.439 2.632 10 10 EFCERN CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000281726998 240952190 /nfs/dbraw/zinc/95/21/90/240952190.db2.gz VXMJPCIRTAAMMX-UHFFFAOYSA-N 0 0 334.416 2.895 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000296068255 241075169 /nfs/dbraw/zinc/07/51/69/241075169.db2.gz VBTYJIRYRHGWDR-ZDUSSCGKSA-N 0 0 332.416 2.607 10 10 EFCERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000296289724 241080365 /nfs/dbraw/zinc/08/03/65/241080365.db2.gz LROVUPJXJPRGEM-SECBINFHSA-N 0 0 335.379 2.988 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000296580626 241089694 /nfs/dbraw/zinc/08/96/94/241089694.db2.gz PMNAEINNLNGOIN-UHFFFAOYSA-N 0 0 338.407 2.868 10 10 EFCERN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295448822 241053441 /nfs/dbraw/zinc/05/34/41/241053441.db2.gz VEDDEMRSVDCJHU-NSHDSACASA-N 0 0 327.783 2.960 10 10 EFCERN CSCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000298856880 241162546 /nfs/dbraw/zinc/16/25/46/241162546.db2.gz MNGOOYVLPQEYSE-CHWSQXEVSA-N 0 0 340.464 2.809 10 10 EFCERN CN(C)c1ccc(CN(C(=O)Nc2ccc(=O)n(C)c2)C2CC2)cc1 ZINC000299255941 241167651 /nfs/dbraw/zinc/16/76/51/241167651.db2.gz CJYFEUBUZCRODP-UHFFFAOYSA-N 0 0 340.427 2.648 10 10 EFCERN CN(Cc1ccc(F)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301670432 241189545 /nfs/dbraw/zinc/18/95/45/241189545.db2.gz FEWALWYQCRQSQE-UHFFFAOYSA-N 0 0 349.293 2.840 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)COCC(F)F ZINC000356043559 242059689 /nfs/dbraw/zinc/05/96/89/242059689.db2.gz UQLOSKQDZOCVOZ-UHFFFAOYSA-N 0 0 342.386 2.786 10 10 EFCERN CN(C)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363187290 242275398 /nfs/dbraw/zinc/27/53/98/242275398.db2.gz KFHKDHGSZBVYGW-NSHDSACASA-N 0 0 331.338 2.683 10 10 EFCERN O=C([C@H]1CCCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000365952954 242338061 /nfs/dbraw/zinc/33/80/61/242338061.db2.gz VAMNXJFHOMOHHK-DOTOQJQBSA-N 0 0 333.428 2.717 10 10 EFCERN Cc1ccc(N2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000366087214 242340501 /nfs/dbraw/zinc/34/05/01/242340501.db2.gz KWQACSDDAASREN-UHFFFAOYSA-N 0 0 326.396 2.759 10 10 EFCERN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000366534751 242355479 /nfs/dbraw/zinc/35/54/79/242355479.db2.gz LQWWCKYKWLGWJA-AWEZNQCLSA-N 0 0 331.865 2.835 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1OCC[C@H]2O ZINC000364176868 242292431 /nfs/dbraw/zinc/29/24/31/242292431.db2.gz RNIYUCIWBCGPHN-HZRUHFOJSA-N 0 0 327.336 2.566 10 10 EFCERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000368054658 242403106 /nfs/dbraw/zinc/40/31/06/242403106.db2.gz BOOJIWGTODCQLK-RAQCGCRYSA-N 0 0 339.391 2.962 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C2CCOCC2)CC1 ZINC000378547393 242535624 /nfs/dbraw/zinc/53/56/24/242535624.db2.gz XWGCQVNIRKGLBL-DUXPYHPUSA-N 0 0 331.412 2.776 10 10 EFCERN COCc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000097497181 203947738 /nfs/dbraw/zinc/94/77/38/203947738.db2.gz YITZXWHOCHQWLX-UHFFFAOYSA-N 0 0 346.452 2.909 10 10 EFCERN CCOC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(N(C)C)cc2)C1 ZINC000096623770 218885780 /nfs/dbraw/zinc/88/57/80/218885780.db2.gz LVLDAVSFKOKDAR-HMWXGYMHSA-N 0 0 330.428 2.568 10 10 EFCERN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)C[C@H](C)O1 ZINC000097433159 219024148 /nfs/dbraw/zinc/02/41/48/219024148.db2.gz REEWXXWJLMPGNN-FGLUKDLVSA-N 0 0 347.396 2.674 10 10 EFCERN COc1ccsc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000171651138 533092967 /nfs/dbraw/zinc/09/29/67/533092967.db2.gz CAMMVRMSNSCABM-UHFFFAOYSA-N 0 0 332.425 2.728 10 10 EFCERN O=c1ccc2ccc([O-])c(C[NH+]3CCN(c4ccccc4)CC3)c2o1 ZINC000015833995 285222400 /nfs/dbraw/zinc/22/24/00/285222400.db2.gz IGOLFYFDKDOVBI-UHFFFAOYSA-N 0 0 336.391 2.821 10 10 EFCERN COc1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)nn1C ZINC000160191351 533413266 /nfs/dbraw/zinc/41/32/66/533413266.db2.gz JPUZZTHHUXNUPW-INIZCTEOSA-N 0 0 345.443 2.624 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1O ZINC000163266360 533498677 /nfs/dbraw/zinc/49/86/77/533498677.db2.gz BNMZCJWDHOCBDR-WFASDCNBSA-N 0 0 342.395 2.765 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2CCOc3ccccc32)c1O ZINC000173375150 533500997 /nfs/dbraw/zinc/50/09/97/533500997.db2.gz SOCUPEOLYZYXRF-AWEZNQCLSA-N 0 0 328.368 2.724 10 10 EFCERN CC(=O)N1c2ccccc2/C(=C2\C=C(c3ccccc3)OC2=O)C1=O ZINC000020309747 273491972 /nfs/dbraw/zinc/49/19/72/273491972.db2.gz PBEBZDLIPRZVKK-SDXDJHTJSA-N 0 0 331.327 2.931 10 10 EFCERN CC[C@@]1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000302709038 276604476 /nfs/dbraw/zinc/60/44/76/276604476.db2.gz ZBAWFNWSFQTNAK-JKNJVXJCSA-N 0 0 334.372 2.786 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280478869 277047626 /nfs/dbraw/zinc/04/76/26/277047626.db2.gz NPEQXCZVOXUTHD-UABRLCRWSA-N 0 0 334.372 2.522 10 10 EFCERN CC(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 ZINC000301698529 280016100 /nfs/dbraw/zinc/01/61/00/280016100.db2.gz REXXEEDPOSFORN-AWEZNQCLSA-N 0 0 337.401 2.504 10 10 EFCERN Cc1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 ZINC000020356238 280754145 /nfs/dbraw/zinc/75/41/45/280754145.db2.gz RPSIBFAQKBNOJV-RBOLIFNISA-N 0 0 339.424 2.667 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000365699756 304549394 /nfs/dbraw/zinc/54/93/94/304549394.db2.gz FERLTRGAEXUOGN-LJQANCHMSA-N 0 0 325.364 2.760 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542433745 448712825 /nfs/dbraw/zinc/71/28/25/448712825.db2.gz MPSQUHFHKDFJEN-UHFFFAOYSA-N 0 0 344.419 2.530 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2nnn(C)c2c1 ZINC000184927547 473274903 /nfs/dbraw/zinc/27/49/03/473274903.db2.gz SNFNGUSRYPGWBA-UHFFFAOYSA-N 0 0 337.427 2.697 10 10 EFCERN CCOC(=O)c1cc(C)n(Cc2cc(Br)ccc2O)n1 ZINC000147943739 473312961 /nfs/dbraw/zinc/31/29/61/473312961.db2.gz KGLYXTHNUJAHBJ-UHFFFAOYSA-N 0 0 339.189 2.885 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3cccnc3)CC2)cc1F ZINC000177275394 473347013 /nfs/dbraw/zinc/34/70/13/473347013.db2.gz UNJWAGKWQXTWQP-AWEZNQCLSA-N 0 0 343.402 2.682 10 10 EFCERN CO[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1C ZINC000190658653 473351112 /nfs/dbraw/zinc/35/11/12/473351112.db2.gz AIZUMJYUHMWKOQ-RDTXWAMCSA-N 0 0 331.460 2.635 10 10 EFCERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000125195600 473371894 /nfs/dbraw/zinc/37/18/94/473371894.db2.gz YISZCJZKVMLJDJ-CZUORRHYSA-N 0 0 329.448 2.676 10 10 EFCERN CN(C)c1ccc(CN(C)CC(=O)NCc2ccc(F)cc2)cc1 ZINC000007361087 471608740 /nfs/dbraw/zinc/60/87/40/471608740.db2.gz PLTDZCIMKFXESR-UHFFFAOYSA-N 0 0 329.419 2.640 10 10 EFCERN CC1(C)CN(C(=O)c2ccnc3c2CC(=O)N3)c2cc(F)ccc21 ZINC000616529437 479935822 /nfs/dbraw/zinc/93/58/22/479935822.db2.gz LCJMQFAWFNIJCA-UHFFFAOYSA-N 0 0 325.343 2.653 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000008429026 471688015 /nfs/dbraw/zinc/68/80/15/471688015.db2.gz NUIZESUKINEZNJ-UHFFFAOYSA-N 0 0 335.411 2.606 10 10 EFCERN COc1ccc(N(CCC(N)=O)Cc2cc(F)ccc2OC)cc1 ZINC000009157409 471711998 /nfs/dbraw/zinc/71/19/98/471711998.db2.gz IAOXFYLJADCAFB-UHFFFAOYSA-N 0 0 332.375 2.725 10 10 EFCERN Cc1cc(C(=O)C(=O)Nc2nncs2)c(C)n1-c1ccccc1 ZINC000015673713 471914369 /nfs/dbraw/zinc/91/43/69/471914369.db2.gz CYHMBABMEVEHKC-UHFFFAOYSA-N 0 0 326.381 2.767 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO2)cc1F ZINC000066978958 471979980 /nfs/dbraw/zinc/97/99/80/471979980.db2.gz VLTJLTIGZKKWFS-HNNXBMFYSA-N 0 0 337.439 2.992 10 10 EFCERN COc1cccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1O ZINC000068488409 472199799 /nfs/dbraw/zinc/19/97/99/472199799.db2.gz IXZGDOHWYCWWQZ-OAHLLOKOSA-N 0 0 333.771 2.674 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000097109663 472451218 /nfs/dbraw/zinc/45/12/18/472451218.db2.gz JTMQQZXMVZTLQW-OWNNVSBGSA-N 0 0 334.372 2.522 10 10 EFCERN O=C(Cc1cccc(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975508 472483672 /nfs/dbraw/zinc/48/36/72/472483672.db2.gz DNEFWRWAHYUASU-GOSISDBHSA-N 0 0 341.407 2.848 10 10 EFCERN C[C@H](NC(=O)c1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 ZINC000097235688 472485875 /nfs/dbraw/zinc/48/58/75/472485875.db2.gz BMKJAHCSZAQHKP-ZDUSSCGKSA-N 0 0 337.379 2.834 10 10 EFCERN CN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097235285 472486277 /nfs/dbraw/zinc/48/62/77/472486277.db2.gz LSYOXLAYZMJQKP-PBHICJAKSA-N 0 0 346.814 2.926 10 10 EFCERN Cn1c2cnccc2nc(NCc2ccc(N3CCCCC3)cc2)c1=O ZINC000097945074 472510735 /nfs/dbraw/zinc/51/07/35/472510735.db2.gz LGWIDOZOQZWUQY-UHFFFAOYSA-N 0 0 349.438 2.931 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000089935946 472552732 /nfs/dbraw/zinc/55/27/32/472552732.db2.gz MBSKTFPOMVKGDE-AWEZNQCLSA-N 0 0 335.448 2.626 10 10 EFCERN COC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413543 472632403 /nfs/dbraw/zinc/63/24/03/472632403.db2.gz SLANFLZSMXZVDI-LBPRGKRZSA-N 0 0 332.366 2.926 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3ccncc3C)CC2)cc1 ZINC000120296268 472663346 /nfs/dbraw/zinc/66/33/46/472663346.db2.gz CCBSAXPQBAVMHR-UHFFFAOYSA-N 0 0 326.400 2.753 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1O ZINC000072524811 472672114 /nfs/dbraw/zinc/67/21/14/472672114.db2.gz PDSJYRKAVYSLPP-LSDHHAIUSA-N 0 0 344.415 2.580 10 10 EFCERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000120403675 472682398 /nfs/dbraw/zinc/68/23/98/472682398.db2.gz ZZGWEOQNTXWGFK-KRWDZBQOSA-N 0 0 343.402 2.584 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000073407660 472806344 /nfs/dbraw/zinc/80/63/44/472806344.db2.gz CRUMBYCUNKXGEO-DFNIBXOVSA-N 0 0 328.456 2.918 10 10 EFCERN COCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(Cl)c1 ZINC000048325054 472856933 /nfs/dbraw/zinc/85/69/33/472856933.db2.gz AATCJYJVBBWWLJ-MRXNPFEDSA-N 0 0 348.786 2.964 10 10 EFCERN Oc1cc2c(cc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)OCO2 ZINC000092094987 472857626 /nfs/dbraw/zinc/85/76/26/472857626.db2.gz HZXIODMJUHXJFI-IUODEOHRSA-N 0 0 349.333 2.707 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCOC3)c2C)cc1 ZINC000106844749 472897725 /nfs/dbraw/zinc/89/77/25/472897725.db2.gz MABGNQGPJYZVFT-MRXNPFEDSA-N 0 0 328.412 2.964 10 10 EFCERN CN1CCc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2C1 ZINC000065476902 472951452 /nfs/dbraw/zinc/95/14/52/472951452.db2.gz QERRRKALXUWODS-UHFFFAOYSA-N 0 0 346.438 2.635 10 10 EFCERN C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cc(F)cc1F ZINC000108393812 473024680 /nfs/dbraw/zinc/02/46/80/473024680.db2.gz CXCQZQPSKLONPX-FRRDWIJNSA-N 0 0 328.403 2.820 10 10 EFCERN CCOc1cccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1O ZINC000122575804 473032342 /nfs/dbraw/zinc/03/23/42/473032342.db2.gz AJNWRTWDCLBLRW-KRWDZBQOSA-N 0 0 345.443 2.505 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCOC3)cc2)CC1 ZINC000108583697 473043780 /nfs/dbraw/zinc/04/37/80/473043780.db2.gz QTVDICSAOMYRJB-SFHVURJKSA-N 0 0 331.460 2.853 10 10 EFCERN CNC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nn1 ZINC000080601451 473054014 /nfs/dbraw/zinc/05/40/14/473054014.db2.gz NXUPODAMULUKIT-UHFFFAOYSA-N 0 0 339.443 2.685 10 10 EFCERN Cc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2O)C1 ZINC000075106824 473126000 /nfs/dbraw/zinc/12/60/00/473126000.db2.gz NSCOFYNGCBJEKR-MRXNPFEDSA-N 0 0 330.409 2.811 10 10 EFCERN COc1ccc(N2CCN(C(=O)CC[C@H]3CCCCO3)CC2)cc1 ZINC000110165336 473145963 /nfs/dbraw/zinc/14/59/63/473145963.db2.gz GJLYRDCMHGGNTE-GOSISDBHSA-N 0 0 332.444 2.693 10 10 EFCERN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nccs1 ZINC000052913836 473162875 /nfs/dbraw/zinc/16/28/75/473162875.db2.gz FKJVJBKJVYLJFI-UHFFFAOYSA-N 0 0 333.438 2.999 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000190971945 473443996 /nfs/dbraw/zinc/44/39/96/473443996.db2.gz TWZXPVRABOQUMF-NSHDSACASA-N 0 0 336.798 2.733 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000185762147 473507392 /nfs/dbraw/zinc/50/73/92/473507392.db2.gz PFRGIDNUPNKZSD-YOEHRIQHSA-N 0 0 327.380 2.826 10 10 EFCERN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000185992340 473566774 /nfs/dbraw/zinc/56/67/74/473566774.db2.gz VDASFGCHVKLJRM-JSGCOSHPSA-N 0 0 345.422 2.683 10 10 EFCERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000185992377 473567012 /nfs/dbraw/zinc/56/70/12/473567012.db2.gz VDASFGCHVKLJRM-GXTWGEPZSA-N 0 0 345.422 2.683 10 10 EFCERN C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000186193819 473612862 /nfs/dbraw/zinc/61/28/62/473612862.db2.gz MUUUWRVNRUJFJM-QGTPRVQTSA-N 0 0 344.430 2.817 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000127769550 473648562 /nfs/dbraw/zinc/64/85/62/473648562.db2.gz HRHPXCWGZKXENZ-CRAIPNDOSA-N 0 0 341.459 2.742 10 10 EFCERN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000127769801 473649442 /nfs/dbraw/zinc/64/94/42/473649442.db2.gz HRHPXCWGZKXENZ-MAUKXSAKSA-N 0 0 341.459 2.742 10 10 EFCERN COC[C@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000127901889 473662440 /nfs/dbraw/zinc/66/24/40/473662440.db2.gz JWEHNWICNDMYJI-CQSZACIVSA-N 0 0 335.425 2.533 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000281423609 473717075 /nfs/dbraw/zinc/71/70/75/473717075.db2.gz ZUINNANCTUFEMM-UHFFFAOYSA-N 0 0 338.411 2.811 10 10 EFCERN COC(=O)C1CCC(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000179876591 473747522 /nfs/dbraw/zinc/74/75/22/473747522.db2.gz SWUSPHOPOPNARU-UHFFFAOYSA-N 0 0 332.444 2.690 10 10 EFCERN Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180103605 473799645 /nfs/dbraw/zinc/79/96/45/473799645.db2.gz MENCKXOOFWJTAX-UHFFFAOYSA-N 0 0 348.878 2.714 10 10 EFCERN Cc1cnn(C[C@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130147 473807152 /nfs/dbraw/zinc/80/71/52/473807152.db2.gz DGYUSECYLONMKA-MRXNPFEDSA-N 0 0 335.835 2.760 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(c2ccccc2)CC1 ZINC000180696260 473944835 /nfs/dbraw/zinc/94/48/35/473944835.db2.gz SDCPLMNEIKXLKA-VQHVLOKHSA-N 0 0 338.407 2.896 10 10 EFCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1COc2ccccc21 ZINC000180877721 473981426 /nfs/dbraw/zinc/98/14/26/473981426.db2.gz SPBAFEIVGCGUPD-PSZCTONISA-N 0 0 325.364 2.792 10 10 EFCERN CN1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000180963699 473994276 /nfs/dbraw/zinc/99/42/76/473994276.db2.gz RSWVBRPNORZZLN-HEWZJLJBSA-N 0 0 338.407 2.851 10 10 EFCERN CCn1cc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1 ZINC000181106553 474005760 /nfs/dbraw/zinc/00/57/60/474005760.db2.gz POZYPAQPJYUNJB-GQCTYLIASA-N 0 0 341.411 2.734 10 10 EFCERN Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274902392 474006080 /nfs/dbraw/zinc/00/60/80/474006080.db2.gz GSLWWBDMAIWRMR-JTQLQIEISA-N 0 0 334.803 2.745 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000288691386 474024152 /nfs/dbraw/zinc/02/41/52/474024152.db2.gz QZWNXILVJPRRRS-UHFFFAOYSA-N 0 0 344.455 2.970 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2nnc(OC)s2)cc1 ZINC000282593300 474122596 /nfs/dbraw/zinc/12/25/96/474122596.db2.gz CJYWFMHRCDOZKQ-UHFFFAOYSA-N 0 0 335.433 2.715 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccn(C)c1=O ZINC000264914551 474161898 /nfs/dbraw/zinc/16/18/98/474161898.db2.gz QLVMKHBLEMKIGE-UHFFFAOYSA-N 0 0 327.428 2.502 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000264978670 474162778 /nfs/dbraw/zinc/16/27/78/474162778.db2.gz CUNTZLNUBFUBQQ-OAHLLOKOSA-N 0 0 331.460 2.901 10 10 EFCERN COCCC1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000289152148 474165245 /nfs/dbraw/zinc/16/52/45/474165245.db2.gz SZSGRXNQAZRWRG-FNORWQNLSA-N 0 0 334.372 2.644 10 10 EFCERN Cc1cc(CS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000265332578 474177613 /nfs/dbraw/zinc/17/76/13/474177613.db2.gz MVIZLWPSQBSXAX-UHFFFAOYSA-N 0 0 349.456 2.543 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn2ccnc2s1 ZINC000188738172 474180296 /nfs/dbraw/zinc/18/02/96/474180296.db2.gz MPBLGSUUEHDRFI-UHFFFAOYSA-N 0 0 328.397 2.501 10 10 EFCERN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000175674378 474279348 /nfs/dbraw/zinc/27/93/48/474279348.db2.gz XOOPQCXKIRGFHG-CABCVRRESA-N 0 0 349.450 2.992 10 10 EFCERN COc1ccc(O)c(CN2CCNC(=O)[C@H]2c2ccccc2Cl)c1 ZINC000183215707 474353023 /nfs/dbraw/zinc/35/30/23/474353023.db2.gz TZOJHJZUFMDNHS-QGZVFWFLSA-N 0 0 346.814 2.727 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(=O)OC)co1 ZINC000183463818 474382968 /nfs/dbraw/zinc/38/29/68/474382968.db2.gz FQLPTVMRHQEWBC-UHFFFAOYSA-N 0 0 330.384 2.795 10 10 EFCERN CC(=O)N1CCN(c2cccc(NCc3cccc(F)c3O)c2)CC1 ZINC000276231537 474460426 /nfs/dbraw/zinc/46/04/26/474460426.db2.gz NIPVOKUJPGVCAD-UHFFFAOYSA-N 0 0 343.402 2.812 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000290176569 474560251 /nfs/dbraw/zinc/56/02/51/474560251.db2.gz FAXOUFZSRIMJJO-LXIYXOSZSA-N 0 0 329.396 2.952 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O ZINC000184670672 474579994 /nfs/dbraw/zinc/57/99/94/474579994.db2.gz ICXPDPVRZFVUAP-LBPRGKRZSA-N 0 0 336.823 2.558 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000271622736 474583562 /nfs/dbraw/zinc/58/35/62/474583562.db2.gz FEYSMHLWXCLMJT-FNORWQNLSA-N 0 0 334.372 2.786 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000278265824 474605015 /nfs/dbraw/zinc/60/50/15/474605015.db2.gz HSJQYZMTBYZZQD-ZDUSSCGKSA-N 0 0 342.321 2.571 10 10 EFCERN C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000284286747 474611243 /nfs/dbraw/zinc/61/12/43/474611243.db2.gz UBZQUDFXTCCFKL-INIZCTEOSA-N 0 0 343.471 2.552 10 10 EFCERN COc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1OC ZINC000272769971 474625673 /nfs/dbraw/zinc/62/56/73/474625673.db2.gz MRHLDRGHNMEPHL-LBPRGKRZSA-N 0 0 345.395 2.784 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)F)CC2)c1O ZINC000267409119 474666758 /nfs/dbraw/zinc/66/67/58/474666758.db2.gz SUIYHUDWOYCBKN-UHFFFAOYSA-N 0 0 332.778 2.631 10 10 EFCERN C1CCN(c2nonc2N=Nc2nonc2N2CCCCC2)CC1 ZINC000252631396 474700731 /nfs/dbraw/zinc/70/07/31/474700731.db2.gz VKPIOTOLLHKQJJ-UHFFFAOYSA-N 0 0 332.368 2.849 10 10 EFCERN CN(C)c1ccc(CNc2ccc(C(=O)NC3CCCC3)nn2)cc1 ZINC000268186262 474850950 /nfs/dbraw/zinc/85/09/50/474850950.db2.gz BTTWGPJTFHPFMF-UHFFFAOYSA-N 0 0 339.443 2.827 10 10 EFCERN Brc1cncnc1NCc1ccc(N2CCOCC2)cc1 ZINC000268451309 474985347 /nfs/dbraw/zinc/98/53/47/474985347.db2.gz IZSCJRPZQVXCSS-UHFFFAOYSA-N 0 0 349.232 2.688 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1O ZINC000280677872 475042036 /nfs/dbraw/zinc/04/20/36/475042036.db2.gz ZCCZSBKQSHSTEN-JTQLQIEISA-N 0 0 335.381 2.525 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2c(C)nnn2CC)cc1F ZINC000294579498 475072577 /nfs/dbraw/zinc/07/25/77/475072577.db2.gz KTESWTRBOWYFBH-UHFFFAOYSA-N 0 0 333.411 2.522 10 10 EFCERN CCOC(=O)c1csc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000294562947 475073853 /nfs/dbraw/zinc/07/38/53/475073853.db2.gz JLSJLJBZOVGACI-UHFFFAOYSA-N 0 0 347.440 2.655 10 10 EFCERN C[C@@H]1CN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294815073 475084320 /nfs/dbraw/zinc/08/43/20/475084320.db2.gz XCEWYKNAQUSOMR-GFCCVEGCSA-N 0 0 330.831 2.775 10 10 EFCERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1c(F)ccc(O)c1O ZINC000294879145 475088181 /nfs/dbraw/zinc/08/81/81/475088181.db2.gz HJLVKQHFKHUJEC-UHFFFAOYSA-N 0 0 336.388 2.844 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295001997 475097666 /nfs/dbraw/zinc/09/76/66/475097666.db2.gz LLTBOMABUIAINX-RHSMWYFYSA-N 0 0 329.356 2.705 10 10 EFCERN COC1CCN(c2ccc(CN(C)Cc3noc(C)n3)cc2)CC1 ZINC000295085881 475104246 /nfs/dbraw/zinc/10/42/46/475104246.db2.gz YJLRJGAZXOZFPR-UHFFFAOYSA-N 0 0 330.432 2.625 10 10 EFCERN COc1cc(O)c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1OC ZINC000295139043 475107504 /nfs/dbraw/zinc/10/75/04/475107504.db2.gz PNRQORVFVQFALD-UHFFFAOYSA-N 0 0 335.444 2.927 10 10 EFCERN CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295179765 475108884 /nfs/dbraw/zinc/10/88/84/475108884.db2.gz VMYSHKVGKDUIFK-UHFFFAOYSA-N 0 0 349.855 2.878 10 10 EFCERN CO[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000295230958 475113009 /nfs/dbraw/zinc/11/30/09/475113009.db2.gz CXBROFLGDWEWGE-YPMHNXCESA-N 0 0 342.233 2.976 10 10 EFCERN CC(=O)N1CCN(c2ccc(CNC(=O)CCCC(C)C)cc2)CC1 ZINC000295233525 475114579 /nfs/dbraw/zinc/11/45/79/475114579.db2.gz TVIRLVGWBVZCFJ-UHFFFAOYSA-N 0 0 345.487 2.798 10 10 EFCERN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295321360 475120094 /nfs/dbraw/zinc/12/00/94/475120094.db2.gz LJNBZQZHBRTTJW-NSHDSACASA-N 0 0 328.815 2.923 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)[C@@H](C)CO)c2C)cc1 ZINC000269116794 475178110 /nfs/dbraw/zinc/17/81/10/475178110.db2.gz KHIRCECZFGPINF-GXTWGEPZSA-N 0 0 330.428 2.849 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@@H](C)CO)c2C)cc1 ZINC000269116797 475178498 /nfs/dbraw/zinc/17/84/98/475178498.db2.gz KHIRCECZFGPINF-JSGCOSHPSA-N 0 0 330.428 2.849 10 10 EFCERN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ncccc1F ZINC000346388650 475593721 /nfs/dbraw/zinc/59/37/21/475593721.db2.gz WWAPZCMQVKSYIO-GFCCVEGCSA-N 0 0 329.375 2.816 10 10 EFCERN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ncccc1F ZINC000346388651 475594497 /nfs/dbraw/zinc/59/44/97/475594497.db2.gz WWAPZCMQVKSYIO-LBPRGKRZSA-N 0 0 329.375 2.816 10 10 EFCERN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)F ZINC000297510473 475788520 /nfs/dbraw/zinc/78/85/20/475788520.db2.gz XRISJDLDTUINSO-LSDHHAIUSA-N 0 0 343.418 2.737 10 10 EFCERN Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccccc1C ZINC000299136987 476136665 /nfs/dbraw/zinc/13/66/65/476136665.db2.gz XHIODXZJTASPFI-CQSZACIVSA-N 0 0 337.427 2.813 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000374096099 476453865 /nfs/dbraw/zinc/45/38/65/476453865.db2.gz HDGWDUMYVCRJBJ-UHFFFAOYSA-N 0 0 343.383 2.551 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c(O)c1O ZINC000374727033 476505384 /nfs/dbraw/zinc/50/53/84/476505384.db2.gz QTJWLHJCTZRUFU-LRDDRELGSA-N 0 0 327.380 2.870 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@H]2c2noc(C)n2)cc1 ZINC000374814358 476541657 /nfs/dbraw/zinc/54/16/57/476541657.db2.gz ACKUUMVTHNXUOP-KRWDZBQOSA-N 0 0 330.432 2.798 10 10 EFCERN COc1cc(O)c(CNc2cccc3c2OCC[C@H]3O)cc1OC ZINC000375096323 476675145 /nfs/dbraw/zinc/67/51/45/476675145.db2.gz FVFYYNROMLFOKP-CQSZACIVSA-N 0 0 331.368 2.837 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](C2CC2)C1 ZINC000375325983 476781147 /nfs/dbraw/zinc/78/11/47/476781147.db2.gz BRELSZOFQMPDOX-SFHVURJKSA-N 0 0 329.444 2.607 10 10 EFCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000375414019 476825515 /nfs/dbraw/zinc/82/55/15/476825515.db2.gz HWIHUOFMDTXWQH-SFHVURJKSA-N 0 0 344.430 2.912 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000376472626 477351522 /nfs/dbraw/zinc/35/15/22/477351522.db2.gz PMSCKVFIOZBULK-BXUZGUMPSA-N 0 0 344.367 2.963 10 10 EFCERN CCOc1ccc(O)c(CN[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000376493574 477361765 /nfs/dbraw/zinc/36/17/65/477361765.db2.gz AHURPJTZNOTUIR-ZDUSSCGKSA-N 0 0 330.432 2.960 10 10 EFCERN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000371854861 477529092 /nfs/dbraw/zinc/52/90/92/477529092.db2.gz ZODDRPCLYLIVEZ-BXUZGUMPSA-N 0 0 338.835 2.545 10 10 EFCERN Cc1cc(C(=O)N2CC3(C2)CCCOC3)c(C)n1-c1ccccn1 ZINC000377141829 477661906 /nfs/dbraw/zinc/66/19/06/477661906.db2.gz XTMCFRYQVITVMZ-UHFFFAOYSA-N 0 0 325.412 2.742 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000528788068 478934639 /nfs/dbraw/zinc/93/46/39/478934639.db2.gz OUVFFWFDCWCIEK-QLEMLULZSA-N 0 0 341.860 2.734 10 10 EFCERN C[C@]1(Br)C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000529499766 479180840 /nfs/dbraw/zinc/18/08/40/479180840.db2.gz ACLSBHRLBKGJIS-NHYWBVRUSA-N 0 0 335.201 2.730 10 10 EFCERN CCn1ncc(CNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000529588784 479214950 /nfs/dbraw/zinc/21/49/50/479214950.db2.gz AEONEPMABDVOIR-UHFFFAOYSA-N 0 0 329.429 2.697 10 10 EFCERN COc1cccc(N(CC(C)C)C(=O)c2ccnc3c2CC(=O)N3)c1 ZINC000667543093 481630818 /nfs/dbraw/zinc/63/08/18/481630818.db2.gz PQLXHLQZHAGWTC-UHFFFAOYSA-N 0 0 339.395 2.888 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000172065359 534201165 /nfs/dbraw/zinc/20/11/65/534201165.db2.gz CSNFEOKEJUTENE-OAHLLOKOSA-N 0 0 328.368 2.724 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000299069385 523713287 /nfs/dbraw/zinc/71/32/87/523713287.db2.gz XYZJWNHOQFCTDW-MRXNPFEDSA-N 0 0 326.396 2.729 10 10 EFCERN CC(=O)N1CCN(c2cccc(NCc3cc(C)ccc3O)c2)CC1 ZINC000189486097 526635625 /nfs/dbraw/zinc/63/56/25/526635625.db2.gz DICRSZDQIYESHE-UHFFFAOYSA-N 0 0 339.439 2.981 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H](CO)C1 ZINC000298478850 526680253 /nfs/dbraw/zinc/68/02/53/526680253.db2.gz ZSMIXJLQOWOUKK-SJORKVTESA-N 0 0 331.460 2.637 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3cncn3)C2)c1O ZINC000177122891 527206477 /nfs/dbraw/zinc/20/64/77/527206477.db2.gz WHKIZVVDPJZFAM-AWEZNQCLSA-N 0 0 334.807 2.677 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCOC3)cc2)CC1 ZINC000171764611 528267240 /nfs/dbraw/zinc/26/72/40/528267240.db2.gz ODTXPFXMDFAKMG-KRWDZBQOSA-N 0 0 331.460 2.901 10 10 EFCERN C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000755133364 575548371 /nfs/dbraw/zinc/54/83/71/575548371.db2.gz QKUPKBWDMBASSI-CQSZACIVSA-N 0 0 347.484 2.858 10 10 EFCERN C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756351635 575721550 /nfs/dbraw/zinc/72/15/50/575721550.db2.gz MMRFWQUCCJCHNG-AAEUAGOBSA-N 0 0 330.340 2.791 10 10 EFCERN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756486799 575747409 /nfs/dbraw/zinc/74/74/09/575747409.db2.gz HRJVKBUTCBCANK-BDAKNGLRSA-N 0 0 343.200 2.625 10 10 EFCERN C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756539247 575757281 /nfs/dbraw/zinc/75/72/81/575757281.db2.gz KXWDOHVVGXDDFT-SECBINFHSA-N 0 0 344.293 2.910 10 10 EFCERN CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576927 575764991 /nfs/dbraw/zinc/76/49/91/575764991.db2.gz PLQSKWMBMZYOOL-NTCNTBNZSA-N 0 0 338.242 2.713 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756592628 575766316 /nfs/dbraw/zinc/76/63/16/575766316.db2.gz JQDPDGDELCURRL-BDAKNGLRSA-N 0 0 345.212 2.565 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000756615057 575768041 /nfs/dbraw/zinc/76/80/41/575768041.db2.gz VJJCFVXKIQSXDN-NWDGAFQWSA-N 0 0 345.443 2.811 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC12CCCC2 ZINC000758399978 575868804 /nfs/dbraw/zinc/86/88/04/575868804.db2.gz QESUGXQTNJGIPQ-KRWDZBQOSA-N 0 0 347.434 2.794 10 10 EFCERN CCN(CC)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1 ZINC000758843413 575878479 /nfs/dbraw/zinc/87/84/79/575878479.db2.gz GCSIRRIKHIMFNQ-UHFFFAOYSA-N 0 0 341.459 2.772 10 10 EFCERN COc1cc2c(cc1C(=O)NCc1ccc(N(C)C)cc1C)OCO2 ZINC000759097145 575884526 /nfs/dbraw/zinc/88/45/26/575884526.db2.gz UIZMMKLZTOHKCC-UHFFFAOYSA-N 0 0 342.395 2.728 10 10 EFCERN Cc1cc(CCNC(=O)N(C)C2CC(O)C2)c(C)n1-c1ccccc1 ZINC000760096989 575979484 /nfs/dbraw/zinc/97/94/84/575979484.db2.gz RKOSWLLMZHQJMI-UHFFFAOYSA-N 0 0 341.455 2.801 10 10 EFCERN CCN1CC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760966675 576095554 /nfs/dbraw/zinc/09/55/54/576095554.db2.gz ATHAUCRAHJDDQN-UHFFFAOYSA-N 0 0 325.412 2.921 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@@H](C3CC3)C2=O)c(C)n1-c1ccccc1 ZINC000760971475 576095813 /nfs/dbraw/zinc/09/58/13/576095813.db2.gz RPFLYPGEUJLMKC-SFHVURJKSA-N 0 0 337.423 2.967 10 10 EFCERN Cc1cc(CCN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccccc1 ZINC000760972528 576096283 /nfs/dbraw/zinc/09/62/83/576096283.db2.gz VHCTYSQGTZWTOS-UHFFFAOYSA-N 0 0 325.412 2.967 10 10 EFCERN CC(C)C[C@@H]1C(=O)N(Cc2ccc3c(c2)CCCN3C)C(=O)N1C ZINC000761178304 576125588 /nfs/dbraw/zinc/12/55/88/576125588.db2.gz MJBUKAWVDPTRCH-QGZVFWFLSA-N 0 0 329.444 2.878 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCCC3(C2)OCCO3)c1 ZINC000761215476 576130702 /nfs/dbraw/zinc/13/07/02/576130702.db2.gz QEFKDNKEQWMCCG-UHFFFAOYSA-N 0 0 342.233 2.802 10 10 EFCERN COc1cc(N2CCN(Cc3ccoc3)CC2)cc(OC)c1OC ZINC000761218524 576131499 /nfs/dbraw/zinc/13/14/99/576131499.db2.gz GBWOBORXXIWYBO-UHFFFAOYSA-N 0 0 332.400 2.628 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000761355840 576150575 /nfs/dbraw/zinc/15/05/75/576150575.db2.gz MWPRKQVFOSKKGS-UAGQMJEPSA-N 0 0 327.428 2.624 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000761581158 576183858 /nfs/dbraw/zinc/18/38/58/576183858.db2.gz WVAPCBLFQDAVDS-QCPWZWHMSA-N 0 0 327.428 2.876 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000762115595 576259897 /nfs/dbraw/zinc/25/98/97/576259897.db2.gz OAPWUMGGSPZHKG-UHFFFAOYSA-N 0 0 340.383 2.910 10 10 EFCERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000762921084 576347097 /nfs/dbraw/zinc/34/70/97/576347097.db2.gz PEQAOJNSIXGFRE-JQWIXIFHSA-N 0 0 340.445 2.829 10 10 EFCERN Cc1cnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(O)c1 ZINC000763257167 576369783 /nfs/dbraw/zinc/36/97/83/576369783.db2.gz CQWNMRMBMMKODP-HNNXBMFYSA-N 0 0 342.395 2.623 10 10 EFCERN COCc1nnc(NC2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000763350275 576373763 /nfs/dbraw/zinc/37/37/63/576373763.db2.gz LKEPPIMSHISREW-UHFFFAOYSA-N 0 0 334.445 2.774 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000763434540 576377319 /nfs/dbraw/zinc/37/73/19/576377319.db2.gz QXDGLKFNKZLILJ-UHFFFAOYSA-N 0 0 342.443 2.505 10 10 EFCERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(N(C)C)c(F)c1 ZINC000763476492 576378639 /nfs/dbraw/zinc/37/86/39/576378639.db2.gz BRRHRLHXIUYGAC-QGZVFWFLSA-N 0 0 345.418 2.551 10 10 EFCERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(OC)c(C)c1 ZINC000763482186 576378767 /nfs/dbraw/zinc/37/87/67/576378767.db2.gz WCFLLINFILOXNU-QGZVFWFLSA-N 0 0 328.412 2.663 10 10 EFCERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(Cl)ccc1O ZINC000763480565 576378847 /nfs/dbraw/zinc/37/88/47/576378847.db2.gz OAKGNENFEZVKFD-HNNXBMFYSA-N 0 0 334.803 2.705 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000764894907 576519373 /nfs/dbraw/zinc/51/93/73/576519373.db2.gz MOECYYWEVUFHEF-SFHVURJKSA-N 0 0 345.487 2.748 10 10 EFCERN O=C(NCCOCC1CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000765228479 577020953 /nfs/dbraw/zinc/02/09/53/577020953.db2.gz HADAJMSSFQRGCK-UHFFFAOYSA-N 0 0 331.460 2.903 10 10 EFCERN COc1ccc(N2CCN(CCNC(=O)[C@@H](C)CC(C)C)CC2)cc1 ZINC000765325671 577032059 /nfs/dbraw/zinc/03/20/59/577032059.db2.gz YWSMJVCOWGGYLR-KRWDZBQOSA-N 0 0 347.503 2.616 10 10 EFCERN CN1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765419941 577040510 /nfs/dbraw/zinc/04/05/10/577040510.db2.gz YZOOYSYTLQPHAY-HIFRSBDPSA-N 0 0 338.379 2.907 10 10 EFCERN COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000766356782 577139327 /nfs/dbraw/zinc/13/93/27/577139327.db2.gz BILDECMEFCJHJL-AWEZNQCLSA-N 0 0 341.363 2.788 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000767148696 577197806 /nfs/dbraw/zinc/19/78/06/577197806.db2.gz PENNLEUINBNOEO-KRWDZBQOSA-N 0 0 341.407 2.964 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000767179753 577198920 /nfs/dbraw/zinc/19/89/20/577198920.db2.gz BNRBRQCTHVPZFB-OAHLLOKOSA-N 0 0 342.395 2.764 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NCCc2nc(C)no2)cc1 ZINC000725870192 577260628 /nfs/dbraw/zinc/26/06/28/577260628.db2.gz CKBCLHLZWJZPHO-UHFFFAOYSA-N 0 0 345.447 2.608 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC(C)=O)ccc21 ZINC000768342875 577267275 /nfs/dbraw/zinc/26/72/75/577267275.db2.gz YPSYGXZUIYTZCR-UHFFFAOYSA-N 0 0 330.428 2.956 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000768365368 577268687 /nfs/dbraw/zinc/26/86/87/577268687.db2.gz VFWLZCIRPVRGOZ-QZTJIDSGSA-N 0 0 347.503 3.000 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](C)[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000768765291 577299833 /nfs/dbraw/zinc/29/98/33/577299833.db2.gz CPDBHESSMPQMSZ-KZULUSFZSA-N 0 0 330.403 2.729 10 10 EFCERN C/C=C\c1ccc(OCC(=O)NCc2ccc(O)c(O)c2)c(OC)c1 ZINC000768920873 577316500 /nfs/dbraw/zinc/31/65/00/577316500.db2.gz YCXUNVPPODXWSX-ARJAWSKDSA-N 0 0 343.379 2.835 10 10 EFCERN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769327319 577352443 /nfs/dbraw/zinc/35/24/43/577352443.db2.gz WVEXGGPDUCQDLV-ZDUSSCGKSA-N 0 0 325.796 2.622 10 10 EFCERN COc1cc(Br)cc(CN(C)Cc2cc[nH]n2)c1O ZINC000769383733 577357424 /nfs/dbraw/zinc/35/74/24/577357424.db2.gz HUTLZHKUPHZUGO-UHFFFAOYSA-N 0 0 326.194 2.518 10 10 EFCERN CC(=O)COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664803 577377598 /nfs/dbraw/zinc/37/75/98/577377598.db2.gz KEFJFWLVGWATBO-UHFFFAOYSA-N 0 0 328.412 2.540 10 10 EFCERN COC(=O)c1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1 ZINC000726796775 577386817 /nfs/dbraw/zinc/38/68/17/577386817.db2.gz DNFUQPOSOAMBRE-KRWDZBQOSA-N 0 0 338.363 2.908 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000770285306 577409993 /nfs/dbraw/zinc/40/99/93/577409993.db2.gz FRDMFZGEPRQJQO-GWCFXTLKSA-N 0 0 326.780 2.955 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC12CCC2 ZINC000770316385 577410997 /nfs/dbraw/zinc/41/09/97/577410997.db2.gz NDGBGBZYDGETAU-UHFFFAOYSA-N 0 0 329.444 2.751 10 10 EFCERN CCN(CC)c1ccc(CN2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000770392357 577414919 /nfs/dbraw/zinc/41/49/19/577414919.db2.gz QWAPQNXAEOBXPO-HNNXBMFYSA-N 0 0 335.423 2.698 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752857 581133603 /nfs/dbraw/zinc/13/36/03/581133603.db2.gz VAPJRTURCGZDKB-WFASDCNBSA-N 0 0 342.233 2.582 10 10 EFCERN Cc1cc(CCNc2cncc(C(N)=O)n2)c(C)n1-c1ccccc1 ZINC000770985688 581159377 /nfs/dbraw/zinc/15/93/77/581159377.db2.gz WWCMJDUKZFSTIZ-UHFFFAOYSA-N 0 0 335.411 2.638 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000772356430 581312431 /nfs/dbraw/zinc/31/24/31/581312431.db2.gz MAORJSQKDGWDPW-UHFFFAOYSA-N 0 0 347.465 2.841 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C\c1cncc2ccccc12 ZINC000772796648 581369492 /nfs/dbraw/zinc/36/94/92/581369492.db2.gz JABPSXLNFUTPEM-DHDCSXOGSA-N 0 0 325.393 2.537 10 10 EFCERN C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773002065 581386774 /nfs/dbraw/zinc/38/67/74/581386774.db2.gz XCTQDCHAZPAUGW-CABCVRRESA-N 0 0 339.439 2.748 10 10 EFCERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020664 581388627 /nfs/dbraw/zinc/38/86/27/581388627.db2.gz QBCAUUFJHPXMIH-WMLDXEAASA-N 0 0 331.460 2.577 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCC(C)(C)C(C)=O)CC2)cc1 ZINC000773251358 581410055 /nfs/dbraw/zinc/41/00/55/581410055.db2.gz LPSFCDGIYMEYPE-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000773739184 581460083 /nfs/dbraw/zinc/46/00/83/581460083.db2.gz BTWPPFSVMRQMAL-JTQLQIEISA-N 0 0 349.818 2.573 10 10 EFCERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773988395 581477219 /nfs/dbraw/zinc/47/72/19/581477219.db2.gz KJYWOBKAHRYNPD-RHSMWYFYSA-N 0 0 348.491 2.808 10 10 EFCERN CC(C)(C)NC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000774569927 581494372 /nfs/dbraw/zinc/49/43/72/581494372.db2.gz PFKPVKLRDUPNPO-UHFFFAOYSA-N 0 0 331.460 2.507 10 10 EFCERN Cc1cc(C(=O)O[C@H]2CCN(CC(F)F)C2)c(C)n1-c1ccccn1 ZINC000774715839 581498874 /nfs/dbraw/zinc/49/88/74/581498874.db2.gz REFKSTTWQMCCFP-AWEZNQCLSA-N 0 0 349.381 2.985 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910463 581503848 /nfs/dbraw/zinc/50/38/48/581503848.db2.gz AWSDVULWQSJXFH-JSGCOSHPSA-N 0 0 336.388 2.558 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(OC)C1CC1 ZINC001709039027 1248817415 /nfs/dbraw/zinc/81/74/15/1248817415.db2.gz UGZLTEBLILZGIV-IBGZPJMESA-N 0 0 344.459 2.998 10 10 EFCERN c1c(CNCc2ccc(N3CCSCC3)cc2)nnn1C1CCC1 ZINC000850035133 1250236434 /nfs/dbraw/zinc/23/64/34/1250236434.db2.gz VPYPAIIZJQIHIW-UHFFFAOYSA-N 0 0 343.500 2.846 10 10 EFCERN CC[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC001687155625 1247863638 /nfs/dbraw/zinc/86/36/38/1247863638.db2.gz SCUODLFMKLSKSF-WBVHZDCISA-N 0 0 345.487 2.978 10 10 EFCERN O=C(NCCCSc1nccs1)c1ccc(-n2cncn2)cc1 ZINC000733879132 1265462457 /nfs/dbraw/zinc/46/24/57/1265462457.db2.gz KWXVCXUNSCYKSR-UHFFFAOYSA-N 0 0 345.453 2.636 10 10 EFCERN COc1ccc(N2CC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000850345731 1250442257 /nfs/dbraw/zinc/44/22/57/1250442257.db2.gz IWKGGBCCDHOWCO-CQSZACIVSA-N 0 0 343.383 2.678 10 10 EFCERN Oc1ccccc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000850389370 1250462289 /nfs/dbraw/zinc/46/22/89/1250462289.db2.gz VRPDZBNMDLHBPT-UHFFFAOYSA-N 0 0 337.467 2.837 10 10 EFCERN COc1ccc(N2CC[C@H](N[C@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489291 1250501126 /nfs/dbraw/zinc/50/11/26/1250501126.db2.gz SMTYJAASHSSWFB-LPHOPBHVSA-N 0 0 349.438 2.771 10 10 EFCERN C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000850498788 1250508881 /nfs/dbraw/zinc/50/88/81/1250508881.db2.gz DEGKVVXBGZDQNQ-WWGRRREGSA-N 0 0 345.422 2.610 10 10 EFCERN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000850498786 1250508996 /nfs/dbraw/zinc/50/89/96/1250508996.db2.gz DEGKVVXBGZDQNQ-DVOMOZLQSA-N 0 0 345.422 2.610 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850503821 1250514103 /nfs/dbraw/zinc/51/41/03/1250514103.db2.gz ZANBBENJNSNIFD-NLZNIHBBSA-N 0 0 329.387 2.887 10 10 EFCERN COc1cc(Br)cc([C@H](C)NCc2ncccn2)c1O ZINC000850550647 1250531309 /nfs/dbraw/zinc/53/13/09/1250531309.db2.gz BLBPTKIJWOIAII-VIFPVBQESA-N 0 0 338.205 2.804 10 10 EFCERN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C ZINC000850573063 1250542422 /nfs/dbraw/zinc/54/24/22/1250542422.db2.gz UAQSJDWHKNGMLF-KBPBESRZSA-N 0 0 332.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(N)ccc3C)C2)cc1 ZINC000850754391 1250595826 /nfs/dbraw/zinc/59/58/26/1250595826.db2.gz UEUZUGITHMWLLY-HNNXBMFYSA-N 0 0 340.427 2.986 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(N)c(C)c3)C2)cc1 ZINC000851639795 1251162761 /nfs/dbraw/zinc/16/27/61/1251162761.db2.gz LXDOHLXCPGECQT-HNNXBMFYSA-N 0 0 325.412 2.595 10 10 EFCERN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000851643419 1251165837 /nfs/dbraw/zinc/16/58/37/1251165837.db2.gz XRJRUTVBLUOQNN-HNNXBMFYSA-N 0 0 344.415 2.551 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)CC1 ZINC000851656741 1251182950 /nfs/dbraw/zinc/18/29/50/1251182950.db2.gz PQCJZHNOGFOHSY-QZTJIDSGSA-N 0 0 348.466 2.504 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1CC1CCC1)cc2=O ZINC000851709559 1251213416 /nfs/dbraw/zinc/21/34/16/1251213416.db2.gz SCKVYRPTUACOSH-CQSZACIVSA-N 0 0 344.415 2.678 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2ccccc2OC1 ZINC000922374168 1265863766 /nfs/dbraw/zinc/86/37/66/1265863766.db2.gz ONVCEGGUCUSQFH-ZDUSSCGKSA-N 0 0 330.359 2.724 10 10 EFCERN C[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000842902216 1256956476 /nfs/dbraw/zinc/95/64/76/1256956476.db2.gz MHLXOLCSRVRGBI-JTQLQIEISA-N 0 0 328.338 2.823 10 10 EFCERN O=C(NCc1ccn(C2CCCC2)n1)NCc1c(O)cccc1F ZINC000921552638 1257256018 /nfs/dbraw/zinc/25/60/18/1257256018.db2.gz XOQZDISJKJJGKM-UHFFFAOYSA-N 0 0 332.379 2.842 10 10 EFCERN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001670950285 1258923426 /nfs/dbraw/zinc/92/34/26/1258923426.db2.gz AXNRTJQJLSCGPE-SNVBAGLBSA-N 0 0 337.372 2.773 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922544593 1266239698 /nfs/dbraw/zinc/23/96/98/1266239698.db2.gz BINUUGRWGXXZCR-BQHLAXKMSA-N 0 0 332.274 2.764 10 10 EFCERN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC001128138660 1261333568 /nfs/dbraw/zinc/33/35/68/1261333568.db2.gz YJYOVFOQLCCOTF-LBPRGKRZSA-N 0 0 326.400 2.597 10 10 EFCERN COc1cccc([C@H](CNC(=O)NCc2c(O)cccc2F)OC)c1 ZINC000923393098 1261599149 /nfs/dbraw/zinc/59/91/49/1261599149.db2.gz NPYIQXJKPGZQMB-KRWDZBQOSA-N 0 0 348.374 2.727 10 10 EFCERN Cc1cccc2c1C[C@@H](NC(=O)NCc1c(O)cccc1F)CO2 ZINC000923399097 1261607768 /nfs/dbraw/zinc/60/77/68/1261607768.db2.gz NZJQFBKHXNFKMR-GFCCVEGCSA-N 0 0 330.359 2.643 10 10 EFCERN C[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)OCCc2ccccc21 ZINC000921836963 1262215256 /nfs/dbraw/zinc/21/52/56/1262215256.db2.gz LYDOMTZKOOOECY-FHVRUZERSA-N 0 0 339.391 2.715 10 10 EFCERN C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)OCCc2ccccc21 ZINC000921836971 1262215540 /nfs/dbraw/zinc/21/55/40/1262215540.db2.gz LYDOMTZKOOOECY-XOYLTFLUSA-N 0 0 339.391 2.715 10 10 EFCERN C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)OCCc2ccccc21 ZINC000921836974 1262216472 /nfs/dbraw/zinc/21/64/72/1262216472.db2.gz LYDOMTZKOOOECY-YHAGJJCESA-N 0 0 339.391 2.715 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(=O)[nH]n3)ccc21 ZINC001128296235 1264169253 /nfs/dbraw/zinc/16/92/53/1264169253.db2.gz LIIVUGFPMODMTF-UHFFFAOYSA-N 0 0 340.383 2.652 10 10 EFCERN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824653670 1278219170 /nfs/dbraw/zinc/21/91/70/1278219170.db2.gz FELPEDYFUJBDKX-APHBMKBZSA-N 0 0 325.836 2.716 10 10 EFCERN CO[C@]1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCSC1 ZINC000922056288 1264231205 /nfs/dbraw/zinc/23/12/05/1264231205.db2.gz XSTJOUMGWHYYGO-DYVFJYSZSA-N 0 0 337.489 2.635 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3c(C)cccc32)c1 ZINC000733944687 1266785187 /nfs/dbraw/zinc/78/51/87/1266785187.db2.gz NYSIXZOPJXCNTP-HJWRWDBZSA-N 0 0 335.407 2.742 10 10 EFCERN C[C@@H]1Cn2nccc2N(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000922209938 1264931169 /nfs/dbraw/zinc/93/11/69/1264931169.db2.gz UQILNPQLAFXIFC-VIFPVBQESA-N 0 0 329.381 2.806 10 10 EFCERN COC(=O)c1ccc(C)c2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000824193423 1266819449 /nfs/dbraw/zinc/81/94/49/1266819449.db2.gz DDRCRXLBQAVVFF-CLFYSBASSA-N 0 0 339.395 2.508 10 10 EFCERN COC(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000824669820 1278238750 /nfs/dbraw/zinc/23/87/50/1278238750.db2.gz QBRHCZLMUZNVDC-UHFFFAOYSA-N 0 0 334.347 2.510 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2c(C(F)(F)F)cnn2C)cc1F ZINC000824670210 1278239687 /nfs/dbraw/zinc/23/96/87/1278239687.db2.gz WGDGAIBYKFLLGP-UHFFFAOYSA-N 0 0 344.312 2.574 10 10 EFCERN CCC[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000733312096 1265156743 /nfs/dbraw/zinc/15/67/43/1265156743.db2.gz CMTRATMPFIQWJT-OAHLLOKOSA-N 0 0 340.489 2.583 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000922731033 1266700488 /nfs/dbraw/zinc/70/04/88/1266700488.db2.gz NOIOCRPLIFFUEZ-DYVFJYSZSA-N 0 0 345.374 2.646 10 10 EFCERN CCO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])CN(C)C ZINC000922758621 1266743892 /nfs/dbraw/zinc/74/38/92/1266743892.db2.gz YGMFIPGDVUHZLT-ZDUSSCGKSA-N 0 0 345.281 2.519 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC1CCC(OC(F)F)CC1 ZINC000922771023 1266764126 /nfs/dbraw/zinc/76/41/26/1266764126.db2.gz CDKHXBQMHVVILD-UHFFFAOYSA-N 0 0 332.322 2.881 10 10 EFCERN C[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000734008265 1266810217 /nfs/dbraw/zinc/81/02/17/1266810217.db2.gz ASIAGWLCIZXBQN-MRXNPFEDSA-N 0 0 331.460 2.997 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC(c3ccn(C)n3)CC2)cc1OC ZINC000824561841 1266915854 /nfs/dbraw/zinc/91/58/54/1266915854.db2.gz CUDOQZQENXROPW-UHFFFAOYSA-N 0 0 346.387 2.730 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000734404446 1266973772 /nfs/dbraw/zinc/97/37/72/1266973772.db2.gz GBJLQHSBJGHBTN-UHFFFAOYSA-N 0 0 342.443 2.512 10 10 EFCERN Cc1cc(Cl)cc(CN2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824913757 1278339558 /nfs/dbraw/zinc/33/95/58/1278339558.db2.gz DSFJQTIPAJCPRG-CQSZACIVSA-N 0 0 331.865 2.753 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825123662 1278419993 /nfs/dbraw/zinc/41/99/93/1278419993.db2.gz BKMUKUIYIQBUQA-MADCSZMMSA-N 0 0 327.705 2.930 10 10 EFCERN CCn1ncc(C)c1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000825138538 1278425930 /nfs/dbraw/zinc/42/59/30/1278425930.db2.gz PBJRMZXGGUJSQH-AWEZNQCLSA-N 0 0 343.431 2.620 10 10 EFCERN CCn1ncc(C)c1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000825159563 1278457163 /nfs/dbraw/zinc/45/71/63/1278457163.db2.gz FNDIGSDCXYIOJA-UHFFFAOYSA-N 0 0 343.431 2.574 10 10 EFCERN CCc1nccn1[C@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843831440 1270111221 /nfs/dbraw/zinc/11/12/21/1270111221.db2.gz PXYFAELABFNNCO-CHWSQXEVSA-N 0 0 331.416 2.988 10 10 EFCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)COC ZINC000742713842 1270197731 /nfs/dbraw/zinc/19/77/31/1270197731.db2.gz DNQMCNRWVYKRBN-SNVBAGLBSA-N 0 0 345.237 2.721 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H](OC)C3CCC3)CC2)cc1 ZINC000825425702 1278547530 /nfs/dbraw/zinc/54/75/30/1278547530.db2.gz HTQNIOUULJRCBG-GOSISDBHSA-N 0 0 332.444 2.595 10 10 EFCERN COc1cc(N(C)Cc2cn(C3CCC3)nn2)cc(OC)c1OC ZINC000825467952 1278559699 /nfs/dbraw/zinc/55/96/99/1278559699.db2.gz BZCBEVKNQBZMRF-UHFFFAOYSA-N 0 0 332.404 2.665 10 10 EFCERN COCc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000743223317 1270472199 /nfs/dbraw/zinc/47/21/99/1270472199.db2.gz NNQGCQWAIWKKGH-UHFFFAOYSA-N 0 0 334.445 2.986 10 10 EFCERN CCO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2O)CCC3)n1 ZINC000743372763 1270554436 /nfs/dbraw/zinc/55/44/36/1270554436.db2.gz UQMZERATVVJIQC-GFCCVEGCSA-N 0 0 331.416 2.993 10 10 EFCERN COc1cccc(CNC(=O)C2(CC(=O)OC(C)(C)C)CCC2)c1O ZINC000843833042 1278599910 /nfs/dbraw/zinc/59/99/10/1278599910.db2.gz OONSUKBFDKASLL-UHFFFAOYSA-N 0 0 349.427 2.919 10 10 EFCERN COc1ccc(CNC(=O)C2(CC(=O)OC(C)(C)C)CCC2)c(O)c1 ZINC000843874342 1278627534 /nfs/dbraw/zinc/62/75/34/1278627534.db2.gz GXPOEWQQRDKPRT-UHFFFAOYSA-N 0 0 349.427 2.919 10 10 EFCERN COc1cccc(O)c1CN1CCO[C@H](COc2ccccc2)C1 ZINC000792188331 1278629211 /nfs/dbraw/zinc/62/92/11/1278629211.db2.gz OBIXZYMZYYHPEF-INIZCTEOSA-N 0 0 329.396 2.681 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCn3cnnc3[C@@H]2C)c1 ZINC000792190494 1278631104 /nfs/dbraw/zinc/63/11/04/1278631104.db2.gz WSIQBFAQZZYUGU-JTQLQIEISA-N 0 0 337.221 2.631 10 10 EFCERN Cc1nc(C)c(C(=O)N2CCOc3ccc(N(C)C)cc3C2)s1 ZINC000581789890 1271769910 /nfs/dbraw/zinc/76/99/10/1271769910.db2.gz XALYUGYRUXNDDJ-UHFFFAOYSA-N 0 0 331.441 2.861 10 10 EFCERN CCN(C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(OC)cc1 ZINC000746108185 1271789882 /nfs/dbraw/zinc/78/98/82/1271789882.db2.gz YODABRYFHIRJNU-HNNXBMFYSA-N 0 0 345.395 2.690 10 10 EFCERN CCN(C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(OC)cc1 ZINC000746108186 1271790118 /nfs/dbraw/zinc/79/01/18/1271790118.db2.gz YODABRYFHIRJNU-OAHLLOKOSA-N 0 0 345.395 2.690 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000843936451 1278686998 /nfs/dbraw/zinc/68/69/98/1278686998.db2.gz SIEGDDPPUXOYFQ-SMDDNHRTSA-N 0 0 349.427 2.846 10 10 EFCERN Cc1cc(CCNC(=O)Cn2ccccc2=O)c(C)n1-c1ccccc1 ZINC000746425090 1272224320 /nfs/dbraw/zinc/22/43/20/1272224320.db2.gz GDRDDNIGGNFZHP-UHFFFAOYSA-N 0 0 349.434 2.615 10 10 EFCERN C[N@@H+]1CCC[C@]2(CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000844210730 1278813185 /nfs/dbraw/zinc/81/31/85/1278813185.db2.gz GHMWDYREJUNRJF-JXTAAOLFSA-N 0 0 345.399 2.615 10 10 EFCERN COc1ccc(N(C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000844354282 1278923127 /nfs/dbraw/zinc/92/31/27/1278923127.db2.gz ACCORLURYOGQFW-UHFFFAOYSA-N 0 0 346.452 2.772 10 10 EFCERN COc1ccc(N(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000844353192 1278923139 /nfs/dbraw/zinc/92/31/39/1278923139.db2.gz QLOTUCVJVLIUBL-LBPRGKRZSA-N 0 0 330.350 2.932 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccc(F)cc1 ZINC000785775397 1275183673 /nfs/dbraw/zinc/18/36/73/1275183673.db2.gz PMNPUKGSKFBGAB-UHFFFAOYSA-N 0 0 331.343 2.606 10 10 EFCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CCOC(C)(C)C)C1=O ZINC000804175618 1275245155 /nfs/dbraw/zinc/24/51/55/1275245155.db2.gz YXZANOOLKPSBCP-CJNGLKHVSA-N 0 0 347.459 2.939 10 10 EFCERN COCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCOC1 ZINC000786445375 1275401690 /nfs/dbraw/zinc/40/16/90/1275401690.db2.gz DDKWBQJDJHMNHO-IBGZPJMESA-N 0 0 342.439 2.972 10 10 EFCERN Cc1cc(CN2CCn3c(CC4CC4)nnc3C2)ccc1N(C)C ZINC000844381502 1278958159 /nfs/dbraw/zinc/95/81/59/1278958159.db2.gz JDNXGCFMHCUKES-UHFFFAOYSA-N 0 0 325.460 2.621 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000786950591 1275587035 /nfs/dbraw/zinc/58/70/35/1275587035.db2.gz PRAWHAIRYAGOAD-TVQRCGJNSA-N 0 0 335.322 2.797 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000787131606 1275673775 /nfs/dbraw/zinc/67/37/75/1275673775.db2.gz QEMITPKKJMGHKO-VIFPVBQESA-N 0 0 343.305 2.651 10 10 EFCERN COCC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000787335471 1275748450 /nfs/dbraw/zinc/74/84/50/1275748450.db2.gz RVCKSZQWBDJRHT-CYBMUJFWSA-N 0 0 344.249 2.700 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(O)cc1 ZINC000787378043 1275761895 /nfs/dbraw/zinc/76/18/95/1275761895.db2.gz QYAIHXZKGNQWRJ-SFHVURJKSA-N 0 0 328.412 2.771 10 10 EFCERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000787405111 1275777219 /nfs/dbraw/zinc/77/72/19/1275777219.db2.gz DLTBMMUODHIEEC-CBZIJGRNSA-N 0 0 330.428 2.881 10 10 EFCERN Cc1cc(Br)cc(CN2C[C@H](O)CC(F)(F)C2)c1O ZINC000787438115 1275778475 /nfs/dbraw/zinc/77/84/75/1275778475.db2.gz IMJAHUJXGQMAAM-LLVKDONJSA-N 0 0 336.176 2.665 10 10 EFCERN Cc1cc(Br)c(O)c(CN2C[C@H](O)CC(F)(F)C2)c1 ZINC000787437807 1275779890 /nfs/dbraw/zinc/77/98/90/1275779890.db2.gz DNWFGRIZQMSHMO-SNVBAGLBSA-N 0 0 336.176 2.665 10 10 EFCERN Cc1cc(CCNC(=O)N2C[C@@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000788314119 1276143821 /nfs/dbraw/zinc/14/38/21/1276143821.db2.gz ZBVQHXHKYMWWGX-LIRRHRJNSA-N 0 0 341.455 2.801 10 10 EFCERN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCCO1 ZINC000788533010 1276222615 /nfs/dbraw/zinc/22/26/15/1276222615.db2.gz BWCNQCFOGKBERL-ZIAGYGMSSA-N 0 0 344.249 2.747 10 10 EFCERN COc1ccc(O)c(CNc2ncnc3c(OC)cc(OC)cc23)c1 ZINC000788534479 1276223910 /nfs/dbraw/zinc/22/39/10/1276223910.db2.gz WPRXIXCESGJBJW-UHFFFAOYSA-N 0 0 341.367 2.973 10 10 EFCERN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 ZINC000788606570 1276238106 /nfs/dbraw/zinc/23/81/06/1276238106.db2.gz AFCNIHFMPCFSLV-CQSZACIVSA-N 0 0 339.439 2.717 10 10 EFCERN C=C/C(C)=C\CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000788648306 1276239217 /nfs/dbraw/zinc/23/92/17/1276239217.db2.gz WXMSNVYHFNZKCQ-CPSFFCFKSA-N 0 0 332.419 2.925 10 10 EFCERN C=C/C(C)=C/CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000788648308 1276239239 /nfs/dbraw/zinc/23/92/39/1276239239.db2.gz WXMSNVYHFNZKCQ-LNKIKWGQSA-N 0 0 332.419 2.925 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CC[C@@H](O)CC34CCC4)ccc21 ZINC000817775529 1276296722 /nfs/dbraw/zinc/29/67/22/1276296722.db2.gz ROGIAQKXQLTRKC-QGZVFWFLSA-N 0 0 343.471 2.658 10 10 EFCERN CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC(C)(C)C1 ZINC000817812278 1276320709 /nfs/dbraw/zinc/32/07/09/1276320709.db2.gz ZUHVSKOIBLUANL-UHFFFAOYSA-N 0 0 349.450 2.545 10 10 EFCERN COCCONC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000788854691 1276379852 /nfs/dbraw/zinc/37/98/52/1276379852.db2.gz RBZWZVZQKXAFGO-UHFFFAOYSA-N 0 0 331.416 2.514 10 10 EFCERN COc1nn(C)cc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788971530 1276420390 /nfs/dbraw/zinc/42/03/90/1276420390.db2.gz KZRLVOPGVULBBL-UHFFFAOYSA-N 0 0 345.403 2.939 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C)CC2)cc1 ZINC000788939153 1276423499 /nfs/dbraw/zinc/42/34/99/1276423499.db2.gz JIJBCLBKGUDWDL-INIZCTEOSA-N 0 0 345.487 2.798 10 10 EFCERN COCCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccccc1O ZINC000818278780 1276514750 /nfs/dbraw/zinc/51/47/50/1276514750.db2.gz WBIMZTJHZHHJCD-OAHLLOKOSA-N 0 0 348.472 2.835 10 10 EFCERN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818361533 1276519185 /nfs/dbraw/zinc/51/91/85/1276519185.db2.gz KWIUPWUIIRQTLK-NEPJUHHUSA-N 0 0 345.226 2.887 10 10 EFCERN CC[N@H+](CCC(=O)OC)Cc1cc(C)cc(Br)c1[O-] ZINC000781902593 1276549439 /nfs/dbraw/zinc/54/94/39/1276549439.db2.gz QHXACMLNMBLNHJ-UHFFFAOYSA-N 0 0 330.222 2.848 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC000923036563 1276588518 /nfs/dbraw/zinc/58/85/18/1276588518.db2.gz UVSXWWGWMQHCEZ-UHFFFAOYSA-N 0 0 340.375 2.900 10 10 EFCERN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000819126780 1276642682 /nfs/dbraw/zinc/64/26/82/1276642682.db2.gz RTYVEZUFLGKMNB-ZPUOCTKUSA-N 0 0 332.469 2.591 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCC(C(F)F)CC1 ZINC000819169559 1276652964 /nfs/dbraw/zinc/65/29/64/1276652964.db2.gz MAYUDTFEEYFPPE-UHFFFAOYSA-N 0 0 338.354 2.980 10 10 EFCERN O=C(/C=C/[C@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000819530699 1276806384 /nfs/dbraw/zinc/80/63/84/1276806384.db2.gz IQQGIYKCUYSAFW-FVOPLDGLSA-N 0 0 326.190 2.506 10 10 EFCERN O=C(Nc1ccc(O)c(CNC(=O)[C@H]2CC23CC3)c1)[C@@H]1CC12CC2 ZINC000923120372 1276856055 /nfs/dbraw/zinc/85/60/55/1276856055.db2.gz VBXFFVGUQAXEOR-KGLIPLIRSA-N 0 0 326.396 2.547 10 10 EFCERN C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC000819680691 1276876121 /nfs/dbraw/zinc/87/61/21/1276876121.db2.gz GILHWJUVYNPZPG-RISCZKNCSA-N 0 0 335.400 2.680 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnc(C)nc1N ZINC000819761666 1276912567 /nfs/dbraw/zinc/91/25/67/1276912567.db2.gz YSAKGVIWQZKMAY-UHFFFAOYSA-N 0 0 341.440 2.766 10 10 EFCERN COc1ccc(N2CC[C@H](CNc3ccnc4cccnc43)C2)cc1 ZINC000819934501 1276959800 /nfs/dbraw/zinc/95/98/00/1276959800.db2.gz JGODGPNEBFBFQL-OAHLLOKOSA-N 0 0 334.423 2.999 10 10 EFCERN COC(=O)c1cc(C(=O)COc2ccc(N3CCCC3)cc2)c(C)[nH]1 ZINC000871736615 1287254388 /nfs/dbraw/zinc/25/43/88/1287254388.db2.gz RKBJDMJWPBQARG-UHFFFAOYSA-N 0 0 342.395 2.972 10 10 EFCERN Cc1[nH]nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1C ZINC000820006160 1276968535 /nfs/dbraw/zinc/96/85/35/1276968535.db2.gz LJPVQTZYSFIYJJ-UHFFFAOYSA-N 0 0 332.367 2.989 10 10 EFCERN CC(C)Oc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000789817283 1277036301 /nfs/dbraw/zinc/03/63/01/1277036301.db2.gz JGVNRFMFTWZEPS-UHFFFAOYSA-N 0 0 329.404 2.652 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(C)CCCCO3)C2)cc1 ZINC000923188234 1277176487 /nfs/dbraw/zinc/17/64/87/1277176487.db2.gz QNUMCPBBWISFIQ-BEFAXECRSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]34C[C@H]3CCC4)C2)cc1 ZINC000923188566 1277178712 /nfs/dbraw/zinc/17/87/12/1277178712.db2.gz RVCKKZSUUCVRIU-VCBZYWHSSA-N 0 0 329.444 2.763 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000103529724 1279030337 /nfs/dbraw/zinc/03/03/37/1279030337.db2.gz DQTJAQVFYCKTCP-LLVKDONJSA-N 0 0 339.351 2.942 10 10 EFCERN CCC(O)(CC)C(C)(C)CNC(=O)NCc1c(O)cccc1F ZINC000923200098 1277240158 /nfs/dbraw/zinc/24/01/58/1277240158.db2.gz VEFMGEMRUSPNJS-UHFFFAOYSA-N 0 0 326.412 2.908 10 10 EFCERN CCCCOc1ncccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136412107 1277424683 /nfs/dbraw/zinc/42/46/83/1277424683.db2.gz NCQOKGJFMDVUMW-UHFFFAOYSA-N 0 0 330.384 2.531 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000821210550 1277484671 /nfs/dbraw/zinc/48/46/71/1277484671.db2.gz PADKTBUWFIOARS-ULQDDVLXSA-N 0 0 348.443 2.650 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1O ZINC000821346018 1277524620 /nfs/dbraw/zinc/52/46/20/1277524620.db2.gz SBCFYCDCGFNSJA-BLLLJJGKSA-N 0 0 326.396 2.928 10 10 EFCERN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000790417148 1277528132 /nfs/dbraw/zinc/52/81/32/1277528132.db2.gz ITCJCFJJDYIYDU-UHFFFAOYSA-N 0 0 335.381 2.542 10 10 EFCERN Cc1c(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)cnn1C ZINC000790502623 1277616010 /nfs/dbraw/zinc/61/60/10/1277616010.db2.gz WLFRXPVMHJYOPP-UHFFFAOYSA-N 0 0 341.459 2.670 10 10 EFCERN O=C(Cc1csc(-c2cccnc2)n1)N1Cc2cccc(O)c2C1 ZINC001175031990 1287296679 /nfs/dbraw/zinc/29/66/79/1287296679.db2.gz XAJJWWYSBCAYMW-UHFFFAOYSA-N 0 0 337.404 2.996 10 10 EFCERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1-c1cnccn1 ZINC001175039070 1287299980 /nfs/dbraw/zinc/29/99/80/1287299980.db2.gz VCERFBYCVYJDSY-UHFFFAOYSA-N 0 0 334.379 2.746 10 10 EFCERN C[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000790967589 1277884896 /nfs/dbraw/zinc/88/48/96/1277884896.db2.gz GFIPIXIMHPMEAQ-CYBMUJFWSA-N 0 0 340.427 2.822 10 10 EFCERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000844759722 1279229615 /nfs/dbraw/zinc/22/96/15/1279229615.db2.gz RGFZUPQRPBMDNI-CYBMUJFWSA-N 0 0 339.432 2.962 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1F ZINC000792956352 1279303169 /nfs/dbraw/zinc/30/31/69/1279303169.db2.gz HMEFCXVRLQJXCE-UHFFFAOYSA-N 0 0 326.375 2.596 10 10 EFCERN CCn1ncc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000815133076 1287338968 /nfs/dbraw/zinc/33/89/68/1287338968.db2.gz REDIGPDIQWATQO-UHFFFAOYSA-N 0 0 341.459 2.997 10 10 EFCERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000795192529 1287341037 /nfs/dbraw/zinc/34/10/37/1287341037.db2.gz LLKDLNYSFSWUAQ-HTQZYQBOSA-N 0 0 345.277 2.703 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H](c2cccnc2)C2CC2)c(O)c1 ZINC000793130338 1279375912 /nfs/dbraw/zinc/37/59/12/1279375912.db2.gz VBEIOQSXMAVDEK-QGZVFWFLSA-N 0 0 327.384 2.746 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C2(O)CC2)CC1 ZINC000844987149 1279390855 /nfs/dbraw/zinc/39/08/55/1279390855.db2.gz BZJYIQDZGODCOP-UHFFFAOYSA-N 0 0 331.460 2.508 10 10 EFCERN CN(C)c1ccc(CN2CC(F)(F)C[C@H]2CO)c(C(F)(F)F)c1 ZINC000793152514 1279409102 /nfs/dbraw/zinc/40/91/02/1279409102.db2.gz HOKNITLXCJXYCY-LBPRGKRZSA-N 0 0 338.320 2.973 10 10 EFCERN CCC[C@@H](C)[C@H](CO)NC(=O)NCCCSc1nccs1 ZINC000845045499 1279412812 /nfs/dbraw/zinc/41/28/12/1279412812.db2.gz HLRVHDDRLSMHCP-NEPJUHHUSA-N 0 0 331.507 2.722 10 10 EFCERN CCC[C@H](C)[C@@H](CO)NC(=O)NCCCSc1nccs1 ZINC000845045500 1279413129 /nfs/dbraw/zinc/41/31/29/1279413129.db2.gz HLRVHDDRLSMHCP-NWDGAFQWSA-N 0 0 331.507 2.722 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845078221 1279436316 /nfs/dbraw/zinc/43/63/16/1279436316.db2.gz RYZYZEDBWDSLES-JTQLQIEISA-N 0 0 328.796 2.577 10 10 EFCERN C[C@@H](NC(=O)N1CCC(C2(O)CC2)CC1)c1ccc(N(C)C)cc1 ZINC000845123843 1279450217 /nfs/dbraw/zinc/45/02/17/1279450217.db2.gz FPMCRZXGUPRARY-CQSZACIVSA-N 0 0 331.460 2.760 10 10 EFCERN CC[C@H]1C[C@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000845265420 1279519193 /nfs/dbraw/zinc/51/91/93/1279519193.db2.gz KJROZECDJZROFZ-WBVHZDCISA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000845286485 1279535878 /nfs/dbraw/zinc/53/58/78/1279535878.db2.gz WNHUZMNAQBTLKD-BZUAXINKSA-N 0 0 331.460 2.961 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CCN2CC=CCC2)c1 ZINC000793320829 1279544727 /nfs/dbraw/zinc/54/47/27/1279544727.db2.gz VXKHPFSYTKZALA-UHFFFAOYSA-N 0 0 325.250 2.815 10 10 EFCERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N(Cc1ccccc1O)C1CCCCC1 ZINC000793458760 1279705547 /nfs/dbraw/zinc/70/55/47/1279705547.db2.gz SHQQQHCPFWDQDP-VQFNDLOPSA-N 0 0 330.428 2.881 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000845508625 1279710392 /nfs/dbraw/zinc/71/03/92/1279710392.db2.gz HWYGSUSUJCUEMN-AEFFLSMTSA-N 0 0 341.411 2.849 10 10 EFCERN O=C(CCC(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000793530023 1279752672 /nfs/dbraw/zinc/75/26/72/1279752672.db2.gz OITOOHRSNJFKKX-UHFFFAOYSA-N 0 0 326.387 2.557 10 10 EFCERN COc1ccc(N(C)CCN(C)c2nc(C3CCOCC3)no2)cc1 ZINC000845670441 1279780318 /nfs/dbraw/zinc/78/03/18/1279780318.db2.gz RXMPFAFBGNDZAB-UHFFFAOYSA-N 0 0 346.431 2.545 10 10 EFCERN O=C(Cc1cn2c(n1)CCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000845834723 1279881772 /nfs/dbraw/zinc/88/17/72/1279881772.db2.gz RNKWXCNRCQSVKB-UHFFFAOYSA-N 0 0 339.439 2.663 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845833229 1279881952 /nfs/dbraw/zinc/88/19/52/1279881952.db2.gz ITLZGJLSWJZZKO-JKSUJKDBSA-N 0 0 343.448 2.903 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2oc(COC(C)(C)C)nc2C)c1 ZINC000845833514 1279882266 /nfs/dbraw/zinc/88/22/66/1279882266.db2.gz HCLPINQUMLYOKE-UHFFFAOYSA-N 0 0 348.399 2.942 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000845833861 1279883503 /nfs/dbraw/zinc/88/35/03/1279883503.db2.gz OLZFTVRXZLJVLQ-UONOGXRCSA-N 0 0 349.427 2.515 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C2(C(=O)OC(C)(C)C)CC2)c1 ZINC000845834306 1279884389 /nfs/dbraw/zinc/88/43/89/1279884389.db2.gz SHXYOADNTRNKQF-NSHDSACASA-N 0 0 335.400 2.700 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C(C)(C)O)CC1 ZINC000845929364 1279939950 /nfs/dbraw/zinc/93/99/50/1279939950.db2.gz BQVZUNJQMBLVIW-GRTSSRMGSA-N 0 0 335.444 2.722 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000846013229 1279977320 /nfs/dbraw/zinc/97/73/20/1279977320.db2.gz GAPCPPJBIHCXJX-UHFFFAOYSA-N 0 0 325.460 2.621 10 10 EFCERN Cc1nc(S(=O)(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000845997259 1279989105 /nfs/dbraw/zinc/98/91/05/1279989105.db2.gz ZRTIPYNMDSSYQL-UHFFFAOYSA-N 0 0 332.834 2.597 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000846042416 1279997654 /nfs/dbraw/zinc/99/76/54/1279997654.db2.gz LLXQBHSTFWRNRX-HNNXBMFYSA-N 0 0 336.388 2.604 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846215582 1280071234 /nfs/dbraw/zinc/07/12/34/1280071234.db2.gz LVCPLQAXOUBSBQ-IAQYHMDHSA-N 0 0 343.383 2.727 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846215583 1280072041 /nfs/dbraw/zinc/07/20/41/1280072041.db2.gz LVCPLQAXOUBSBQ-NHYWBVRUSA-N 0 0 343.383 2.727 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccncc1)Cc1cccnc1 ZINC001144752907 1280078095 /nfs/dbraw/zinc/07/80/95/1280078095.db2.gz QSOYKSGUEOKYEP-UHFFFAOYSA-N 0 0 349.390 2.659 10 10 EFCERN CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252609 1280087141 /nfs/dbraw/zinc/08/71/41/1280087141.db2.gz ATKDJDHFDZGKBV-SMDDNHRTSA-N 0 0 332.404 2.534 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000815259744 1287396784 /nfs/dbraw/zinc/39/67/84/1287396784.db2.gz YZGGRWMHCSGNSK-RBUKOAKNSA-N 0 0 346.471 2.985 10 10 EFCERN Cc1c(C(=O)[O-])cnn1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000846283632 1280098059 /nfs/dbraw/zinc/09/80/59/1280098059.db2.gz JZGRJRCPNSVHNH-UHFFFAOYSA-N 0 0 342.443 2.793 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000794308255 1280118834 /nfs/dbraw/zinc/11/88/34/1280118834.db2.gz HORQPKRLVRKFKT-NSHDSACASA-N 0 0 346.387 2.861 10 10 EFCERN COc1ccc(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)c(O)c1 ZINC000794369681 1280125064 /nfs/dbraw/zinc/12/50/64/1280125064.db2.gz JHCWSXHCMWCUDY-UHFFFAOYSA-N 0 0 345.443 2.729 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794379687 1280161694 /nfs/dbraw/zinc/16/16/94/1280161694.db2.gz VDNDKGJVEJKXAK-UHFFFAOYSA-N 0 0 330.340 2.509 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3)n2)c(O)c1 ZINC000794379806 1280161921 /nfs/dbraw/zinc/16/19/21/1280161921.db2.gz WSGCUHBVVPVUNM-UHFFFAOYSA-N 0 0 337.379 2.825 10 10 EFCERN COc1ccc(CNC(=O)c2ccc3c(c2O)OC(C)(C)C3)c(O)c1 ZINC000794381409 1280163658 /nfs/dbraw/zinc/16/36/58/1280163658.db2.gz QGSMCNHNARVOSC-UHFFFAOYSA-N 0 0 343.379 2.750 10 10 EFCERN COC(=O)CC1(CC(=O)NCc2ccc(OC)cc2O)CCCC1 ZINC000794387980 1280164642 /nfs/dbraw/zinc/16/46/42/1280164642.db2.gz QUIFQQJLBWTSNB-UHFFFAOYSA-N 0 0 335.400 2.531 10 10 EFCERN COC(=O)[C@H](CCF)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000846431211 1280165271 /nfs/dbraw/zinc/16/52/71/1280165271.db2.gz IRVOCXKBTAMCFC-LBPRGKRZSA-N 0 0 338.404 2.787 10 10 EFCERN CC(C)(C)OC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846476115 1280191426 /nfs/dbraw/zinc/19/14/26/1280191426.db2.gz IYNIRMNOXYKLFP-UHFFFAOYSA-N 0 0 325.792 2.784 10 10 EFCERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(N(C)C)cc1 ZINC000804622251 1280321103 /nfs/dbraw/zinc/32/11/03/1280321103.db2.gz YIOKBQMLKAJKCM-NSHDSACASA-N 0 0 330.388 2.908 10 10 EFCERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cccc(O)c1O ZINC000846653308 1280367095 /nfs/dbraw/zinc/36/70/95/1280367095.db2.gz CUOACUVPAMCIDK-JOCQHMNTSA-N 0 0 327.384 2.646 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1(F)CCC1 ZINC000806043735 1280370910 /nfs/dbraw/zinc/37/09/10/1280370910.db2.gz PEDSONQJBIQMFW-UHFFFAOYSA-N 0 0 349.450 2.947 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000846725624 1280438631 /nfs/dbraw/zinc/43/86/31/1280438631.db2.gz TYDFBUIGRKDDCV-CQSZACIVSA-N 0 0 333.476 2.700 10 10 EFCERN CCN1C[C@@H](CN(Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825398 1280520161 /nfs/dbraw/zinc/52/01/61/1280520161.db2.gz VDMDVJGBDKKXON-MRXNPFEDSA-N 0 0 330.384 2.828 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCSC1 ZINC000805394482 1280534188 /nfs/dbraw/zinc/53/41/88/1280534188.db2.gz PJKLCYDYPPDPHV-VIFPVBQESA-N 0 0 345.262 2.707 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC001145103742 1280723208 /nfs/dbraw/zinc/72/32/08/1280723208.db2.gz WLKLKJJORKNSMS-QGZVFWFLSA-N 0 0 329.421 2.957 10 10 EFCERN CCOC(=O)C1CCC(CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000843831811 1280928585 /nfs/dbraw/zinc/92/85/85/1280928585.db2.gz HHDPNVBUXISPTH-UHFFFAOYSA-N 0 0 349.427 2.516 10 10 EFCERN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)ccn1 ZINC000806379478 1281046992 /nfs/dbraw/zinc/04/69/92/1281046992.db2.gz PARHIBSKODFVGZ-UHFFFAOYSA-N 0 0 336.189 2.602 10 10 EFCERN Cc1cnccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806380417 1281047660 /nfs/dbraw/zinc/04/76/60/1281047660.db2.gz SOBRAWGFWPCEJP-UHFFFAOYSA-N 0 0 336.189 2.602 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COCC2CCCC2)cc1 ZINC001130745294 1281148401 /nfs/dbraw/zinc/14/84/01/1281148401.db2.gz SXRFHSXUGPHGCE-UHFFFAOYSA-N 0 0 334.460 2.797 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCSC1 ZINC000806910037 1281179162 /nfs/dbraw/zinc/17/91/62/1281179162.db2.gz PVZKDKWNCGYKFQ-NSHDSACASA-N 0 0 345.262 2.850 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000815359937 1287480615 /nfs/dbraw/zinc/48/06/15/1287480615.db2.gz MEHOIYCOCVXLPT-CWPLJXCYSA-N 0 0 344.455 2.690 10 10 EFCERN COc1ccnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1F ZINC001147801183 1281299392 /nfs/dbraw/zinc/29/93/92/1281299392.db2.gz ZSWJEEYINYQGRM-UHFFFAOYSA-N 0 0 348.355 2.785 10 10 EFCERN Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(-c2ccco2)n1 ZINC001147911663 1281357171 /nfs/dbraw/zinc/35/71/71/1281357171.db2.gz DDQZOBZNDCUITK-FNORWQNLSA-N 0 0 325.324 2.743 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cnc(Cl)cn1 ZINC000807736754 1281401344 /nfs/dbraw/zinc/40/13/44/1281401344.db2.gz GJDWAOBVJXNVKI-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(CO)n2)cc1 ZINC000808026056 1281505413 /nfs/dbraw/zinc/50/54/13/1281505413.db2.gz SIOIZWJDGZFDFR-UHFFFAOYSA-N 0 0 335.407 2.911 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)ccc1OC ZINC000808094134 1281535471 /nfs/dbraw/zinc/53/54/71/1281535471.db2.gz BUMIQODIMWGBEH-UHFFFAOYSA-N 0 0 336.384 2.825 10 10 EFCERN CC(=O)C(=O)COC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000808492707 1281735828 /nfs/dbraw/zinc/73/58/28/1281735828.db2.gz BYGGMEYLSFPVBO-UHFFFAOYSA-N 0 0 328.320 2.559 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Br)cc2ccccc21 ZINC000808515890 1281749498 /nfs/dbraw/zinc/74/94/98/1281749498.db2.gz QMCDDSSBOSGGKW-UHFFFAOYSA-N 0 0 335.153 2.917 10 10 EFCERN CC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)C(C)=O ZINC000808519340 1281750091 /nfs/dbraw/zinc/75/00/91/1281750091.db2.gz SAWZEMDLYHAILN-LBPRGKRZSA-N 0 0 341.201 2.719 10 10 EFCERN CC[C@H](Cc1cccc(Br)c1)C(=O)OCC(=O)C(C)=O ZINC000808519339 1281750200 /nfs/dbraw/zinc/75/02/00/1281750200.db2.gz SAWZEMDLYHAILN-GFCCVEGCSA-N 0 0 341.201 2.719 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000808523622 1281752621 /nfs/dbraw/zinc/75/26/21/1281752621.db2.gz SRNPHFOLPIUBCN-UHFFFAOYSA-N 0 0 343.173 2.551 10 10 EFCERN CC(=O)C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000808524807 1281753648 /nfs/dbraw/zinc/75/36/48/1281753648.db2.gz HVLYOWNJBDUHKB-MPLXBHQASA-N 0 0 332.318 2.837 10 10 EFCERN CC[C@@H](Cc1ccccc1Br)C(=O)OCC(=O)C(C)=O ZINC000808527104 1281754396 /nfs/dbraw/zinc/75/43/96/1281754396.db2.gz YRUOIYUMEOFSBZ-NSHDSACASA-N 0 0 341.201 2.719 10 10 EFCERN CC(=O)C(=O)COC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000808531565 1281763154 /nfs/dbraw/zinc/76/31/54/1281763154.db2.gz UUZSWGRZJYGHEX-UHFFFAOYSA-N 0 0 342.395 2.785 10 10 EFCERN CC(=O)C(=O)COC(=O)c1c(C)cc(Br)cc1Cl ZINC000808535095 1281766182 /nfs/dbraw/zinc/76/61/82/1281766182.db2.gz XYDPJYXGEKNQHC-UHFFFAOYSA-N 0 0 333.565 2.726 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC000808541184 1281768619 /nfs/dbraw/zinc/76/86/19/1281768619.db2.gz QMGXLWNUAJMAAN-UHFFFAOYSA-N 0 0 328.368 2.620 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000808539632 1281769648 /nfs/dbraw/zinc/76/96/48/1281769648.db2.gz FVAPKOOIUSXFFK-UHFFFAOYSA-N 0 0 344.285 2.609 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000808546184 1281771822 /nfs/dbraw/zinc/77/18/22/1281771822.db2.gz CVAUOOHWVGSITK-UHFFFAOYSA-N 0 0 335.356 2.657 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000808549470 1281776123 /nfs/dbraw/zinc/77/61/23/1281776123.db2.gz CQKNRMYNENUVBR-UHFFFAOYSA-N 0 0 337.528 2.557 10 10 EFCERN C[C@H]1COCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805363425 1282945449 /nfs/dbraw/zinc/94/54/49/1282945449.db2.gz COEPDAHKHODZQQ-QPUJVOFHSA-N 0 0 333.215 2.923 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1n1cccn1 ZINC000815660943 1287657990 /nfs/dbraw/zinc/65/79/90/1287657990.db2.gz OLULRCBOMIYAIN-IPALMDDQSA-N 0 0 346.387 2.566 10 10 EFCERN CC[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC ZINC000810955583 1283894326 /nfs/dbraw/zinc/89/43/26/1283894326.db2.gz LQUBCDOXYQHHCY-AWEZNQCLSA-N 0 0 330.384 2.845 10 10 EFCERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC(=O)CS1 ZINC000811567183 1284395951 /nfs/dbraw/zinc/39/59/51/1284395951.db2.gz PSRPZNNMOCUKOR-UHFFFAOYSA-N 0 0 331.353 2.816 10 10 EFCERN CC(C)OCc1cc(NS(=O)(=O)N2CCC[C@H](C)C2)ccc1O ZINC000811702929 1284514896 /nfs/dbraw/zinc/51/48/96/1284514896.db2.gz HTLUXAIYSAGIMT-ZDUSSCGKSA-N 0 0 342.461 2.706 10 10 EFCERN CS(=O)(=O)C1(C(=O)NCc2c(O)ccc3ccccc32)CCCC1 ZINC000952995636 1285025569 /nfs/dbraw/zinc/02/55/69/1285025569.db2.gz SJDBCHYEFWZTNK-UHFFFAOYSA-N 0 0 347.436 2.519 10 10 EFCERN CN(C)c1ccc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000812345555 1285091680 /nfs/dbraw/zinc/09/16/80/1285091680.db2.gz DOLXCAFSQUEPTD-LJQANCHMSA-N 0 0 341.386 2.859 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000812497783 1285183903 /nfs/dbraw/zinc/18/39/03/1285183903.db2.gz COVPYPXVOIWAIE-GWCFXTLKSA-N 0 0 346.349 2.605 10 10 EFCERN C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812736119 1285387848 /nfs/dbraw/zinc/38/78/48/1285387848.db2.gz DFCCMXJLHXKFQV-NSHDSACASA-N 0 0 330.388 2.764 10 10 EFCERN Cc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2O)nn1-c1ccccc1 ZINC001171717374 1285738762 /nfs/dbraw/zinc/73/87/62/1285738762.db2.gz QOBCSDSZVSHXJT-CQSZACIVSA-N 0 0 349.390 2.738 10 10 EFCERN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC001171723115 1285740812 /nfs/dbraw/zinc/74/08/12/1285740812.db2.gz MNQVZYDMCSHRRK-LVLBFHFTSA-N 0 0 349.394 2.563 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1O ZINC001171723635 1285742406 /nfs/dbraw/zinc/74/24/06/1285742406.db2.gz VGQQRTZAMKPERX-PIGZYNQJSA-N 0 0 328.343 2.902 10 10 EFCERN CC(C)(C(=O)NCc1c(O)ccc2ccccc21)S(=O)(=O)C1CC1 ZINC001179033368 1289029354 /nfs/dbraw/zinc/02/93/54/1289029354.db2.gz WBKMOYOUADQCNK-UHFFFAOYSA-N 0 0 347.436 2.517 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](O)CC(C)(C)C ZINC000813387367 1285849961 /nfs/dbraw/zinc/84/99/61/1285849961.db2.gz CVHZMPYUWLXAGN-SFHVURJKSA-N 0 0 348.487 2.669 10 10 EFCERN CN1CCCc2cc(CNC(=O)C[C@@H](O)Cc3ccccc3)ccc21 ZINC000813430446 1285905409 /nfs/dbraw/zinc/90/54/09/1285905409.db2.gz PABUUSPSNVWTBX-IBGZPJMESA-N 0 0 338.451 2.679 10 10 EFCERN Cc1cncc(/C=C\C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)c1 ZINC001133817176 1285994022 /nfs/dbraw/zinc/99/40/22/1285994022.db2.gz DNNLTDOSZRYJNS-IHWYPQMZSA-N 0 0 329.306 2.667 10 10 EFCERN COc1ccc(O)c(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000813594224 1286006790 /nfs/dbraw/zinc/00/67/90/1286006790.db2.gz KCSHMSCWWDTKAC-UHFFFAOYSA-N 0 0 325.324 2.891 10 10 EFCERN CC[C@@H](C)CONC(=O)NCc1cc(Br)ccc1O ZINC000813830190 1286132622 /nfs/dbraw/zinc/13/26/22/1286132622.db2.gz CSDUHFWSXNJZRJ-SECBINFHSA-N 0 0 331.210 2.932 10 10 EFCERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000822667346 1289070045 /nfs/dbraw/zinc/07/00/45/1289070045.db2.gz SZCYDPJRDJHTQO-LBPRGKRZSA-N 0 0 345.424 2.648 10 10 EFCERN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC001134145785 1286376832 /nfs/dbraw/zinc/37/68/32/1286376832.db2.gz PQPURYHOEUAWJR-LQYUOIDQSA-N 0 0 340.354 2.612 10 10 EFCERN COC[C@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001134212732 1286450276 /nfs/dbraw/zinc/45/02/76/1286450276.db2.gz AXJUBZDLJRPHHF-IBGZPJMESA-N 0 0 342.439 2.510 10 10 EFCERN C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822688162 1289082564 /nfs/dbraw/zinc/08/25/64/1289082564.db2.gz LLOCIVJJHXSRPE-CQSZACIVSA-N 0 0 346.402 2.750 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cn(C)nc1Cl ZINC000814640316 1286869693 /nfs/dbraw/zinc/86/96/93/1286869693.db2.gz BMDMAYLDLAGTNR-UHFFFAOYSA-N 0 0 334.851 2.731 10 10 EFCERN Cc1cc(CN2C(=O)c3c(cccc3F)S2(=O)=O)ccc1N(C)C ZINC000814763469 1287008564 /nfs/dbraw/zinc/00/85/64/1287008564.db2.gz DTPPHAKIPWULRU-UHFFFAOYSA-N 0 0 348.399 2.545 10 10 EFCERN Cn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)n1 ZINC000822818665 1289121477 /nfs/dbraw/zinc/12/14/77/1289121477.db2.gz HYWVZYKOYSSXRX-UHFFFAOYSA-N 0 0 332.835 2.994 10 10 EFCERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000871479239 1287102379 /nfs/dbraw/zinc/10/23/79/1287102379.db2.gz ZXXUTVQJYCVFEL-DNGMOHDESA-N 0 0 333.384 2.515 10 10 EFCERN Cc1cc(=O)[nH]c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000815860496 1287872128 /nfs/dbraw/zinc/87/21/28/1287872128.db2.gz NYTKWFZRKOBPHT-HNNXBMFYSA-N 0 0 342.395 2.623 10 10 EFCERN COc1cccc2c1[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CC2 ZINC000816029137 1287962179 /nfs/dbraw/zinc/96/21/79/1287962179.db2.gz WNZMTVZPKMADKE-DOMZBBRYSA-N 0 0 341.407 2.884 10 10 EFCERN COc1cccc2c1[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)CC2 ZINC000816029140 1287962230 /nfs/dbraw/zinc/96/22/30/1287962230.db2.gz WNZMTVZPKMADKE-WFASDCNBSA-N 0 0 341.407 2.884 10 10 EFCERN O=C(Cc1ccccc1Br)NCc1cccc(O)c1O ZINC001176565152 1288040749 /nfs/dbraw/zinc/04/07/49/1288040749.db2.gz IGHRZSDWBDKVLX-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN Cc1cc(C(=O)NCc2cccc(O)c2O)c2cnn(C(C)C)c2n1 ZINC001176564790 1288040925 /nfs/dbraw/zinc/04/09/25/1288040925.db2.gz FFCIGOZAFUSRQX-UHFFFAOYSA-N 0 0 340.383 2.662 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000822919341 1289153313 /nfs/dbraw/zinc/15/33/13/1289153313.db2.gz JCMKOWAWHABXKX-APWZRJJASA-N 0 0 346.471 2.939 10 10 EFCERN CC(C)COc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001176748615 1288094210 /nfs/dbraw/zinc/09/42/10/1288094210.db2.gz XVZWNJIKZZVYMY-UHFFFAOYSA-N 0 0 329.396 2.992 10 10 EFCERN O=C(CCc1cncs1)NCc1cc(Br)ccc1O ZINC000816654215 1288229797 /nfs/dbraw/zinc/22/97/97/1288229797.db2.gz YGQWZKUJFLPOQY-UHFFFAOYSA-N 0 0 341.230 2.860 10 10 EFCERN O=C(/C=C/c1cnc2ccccc2n1)N1C[C@H](CO)Cc2ccccc21 ZINC000816783469 1288270888 /nfs/dbraw/zinc/27/08/88/1288270888.db2.gz UVVWFCNWBNCWBH-BOLDSZDNSA-N 0 0 345.402 2.841 10 10 EFCERN COc1cc(CC(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000816867099 1288297518 /nfs/dbraw/zinc/29/75/18/1288297518.db2.gz GBRDQWIVVXTYPZ-UHFFFAOYSA-N 0 0 325.412 2.549 10 10 EFCERN Cc1ccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)c(O)c1O ZINC000816929689 1288343007 /nfs/dbraw/zinc/34/30/07/1288343007.db2.gz MSXQSKGTPHUFPV-UHFFFAOYSA-N 0 0 339.298 2.536 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc2n[nH]nc21 ZINC001135800524 1288391155 /nfs/dbraw/zinc/39/11/55/1288391155.db2.gz IIGYWZPUFGOEDA-UHFFFAOYSA-N 0 0 335.411 2.830 10 10 EFCERN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCSCC1 ZINC001135800891 1288392609 /nfs/dbraw/zinc/39/26/09/1288392609.db2.gz ULALERMJHHVPMK-MRXNPFEDSA-N 0 0 347.528 2.683 10 10 EFCERN COC(=O)c1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001135825501 1288439337 /nfs/dbraw/zinc/43/93/37/1288439337.db2.gz WKXZOSVGNOSOGI-UHFFFAOYSA-N 0 0 330.359 2.608 10 10 EFCERN CC[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000817162439 1288446335 /nfs/dbraw/zinc/44/63/35/1288446335.db2.gz TZTXWWHWPGWKON-SJLPKXTDSA-N 0 0 329.444 2.820 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000817201944 1288468555 /nfs/dbraw/zinc/46/85/55/1288468555.db2.gz NYPKPMSIVCMREE-BBWFWOEESA-N 0 0 344.455 2.690 10 10 EFCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)[N-]OCC2CC2)C1 ZINC000817367476 1288562550 /nfs/dbraw/zinc/56/25/50/1288562550.db2.gz AWTNNCGUHRNESB-UHFFFAOYSA-N 0 0 341.455 2.866 10 10 EFCERN CCCOc1ccnc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001135915097 1288593085 /nfs/dbraw/zinc/59/30/85/1288593085.db2.gz YSTXRSZIFPBFCK-UHFFFAOYSA-N 0 0 342.443 2.533 10 10 EFCERN CN(Cc1cccs1)c1ccc(CN2CC3(C2)CNC(=O)O3)cc1 ZINC000817418467 1288594009 /nfs/dbraw/zinc/59/40/09/1288594009.db2.gz RNDXIRSKBQCXLV-UHFFFAOYSA-N 0 0 343.452 2.679 10 10 EFCERN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000817525948 1288634157 /nfs/dbraw/zinc/63/41/57/1288634157.db2.gz YAIVAWPHHUAIEF-HNNXBMFYSA-N 0 0 326.444 2.830 10 10 EFCERN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccnn1C ZINC000817604725 1288679849 /nfs/dbraw/zinc/67/98/49/1288679849.db2.gz ZYMLPRAHUURULH-QMMMGPOBSA-N 0 0 328.199 2.852 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000821445277 1288719228 /nfs/dbraw/zinc/71/92/28/1288719228.db2.gz UJYDDLHHGJCUKA-CQSZACIVSA-N 0 0 328.359 2.738 10 10 EFCERN COc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(OC)n1 ZINC001136450168 1288731464 /nfs/dbraw/zinc/73/14/64/1288731464.db2.gz JUWUNPDBHQCIMZ-UHFFFAOYSA-N 0 0 346.364 2.977 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001178412552 1288780840 /nfs/dbraw/zinc/78/08/40/1288780840.db2.gz ACJLBPDEGBINPF-QWHCGFSZSA-N 0 0 330.315 2.859 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413351 1288780895 /nfs/dbraw/zinc/78/08/95/1288780895.db2.gz QXDOJLMVCLDRLS-QWHCGFSZSA-N 0 0 330.315 2.859 10 10 EFCERN Cc1cc(C(F)(F)F)nc(C(=O)NCc2c(O)cccc2F)n1 ZINC001178413776 1288781195 /nfs/dbraw/zinc/78/11/95/1288781195.db2.gz YREDWLWKKZVCBL-UHFFFAOYSA-N 0 0 329.253 2.579 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000822083223 1288877863 /nfs/dbraw/zinc/87/78/63/1288877863.db2.gz UMUAOLZLUYMPFG-CCKFTAQKSA-N 0 0 332.444 2.863 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3ccncc3C)CC2)cc1 ZINC000822197129 1288904892 /nfs/dbraw/zinc/90/48/92/1288904892.db2.gz MBAVVVKOLIMBBF-FPYGCLRLSA-N 0 0 337.423 2.761 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCOC[C@H]2OC)cc1 ZINC000822269150 1288923090 /nfs/dbraw/zinc/92/30/90/1288923090.db2.gz LTGXMJDEKMZMTE-PKOBYXMFSA-N 0 0 348.487 2.933 10 10 EFCERN COc1cn(C)nc1[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001178937020 1288974174 /nfs/dbraw/zinc/97/41/74/1288974174.db2.gz PNDKVSVKZYHQDW-QMMMGPOBSA-N 0 0 347.396 2.546 10 10 EFCERN CCOc1ccc(OC(C)(C)C(=O)NCc2c(O)cccc2O)cc1 ZINC001178905080 1288976328 /nfs/dbraw/zinc/97/63/28/1288976328.db2.gz GJJAUZSEDHJTJF-UHFFFAOYSA-N 0 0 345.395 2.970 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cncc(F)c3)C2)cc1 ZINC000823194002 1289235684 /nfs/dbraw/zinc/23/56/84/1289235684.db2.gz HBCARZRJHQAWHC-ZDUSSCGKSA-N 0 0 330.363 2.630 10 10 EFCERN CCOC(=O)CN(Cc1ccc(CC)cn1)Cc1ccccc1O ZINC000823576440 1289336826 /nfs/dbraw/zinc/33/68/26/1289336826.db2.gz NXWNZURQFAHIRG-UHFFFAOYSA-N 0 0 328.412 2.915 10 10 EFCERN COc1cc(CN2CC(F)(F)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000825622780 1289356899 /nfs/dbraw/zinc/35/68/99/1289356899.db2.gz XSHMYMCLPUJRQQ-LBPRGKRZSA-N 0 0 329.387 2.900 10 10 EFCERN C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823548789 1289371213 /nfs/dbraw/zinc/37/12/13/1289371213.db2.gz WPUVXYMWMSKJMK-JKSUJKDBSA-N 0 0 345.487 2.978 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823663169 1289404376 /nfs/dbraw/zinc/40/43/76/1289404376.db2.gz NGBLBLBQMBTDMM-IAOVAPTHSA-N 0 0 326.444 2.635 10 10 EFCERN COC(=O)c1conc1C(C)(C)NCc1ccc(N(C)C)c(C)c1 ZINC000823680641 1289419816 /nfs/dbraw/zinc/41/98/16/1289419816.db2.gz LZOHQADGKIMXBO-UHFFFAOYSA-N 0 0 331.416 2.861 10 10 EFCERN CC(=O)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000872904389 1289455241 /nfs/dbraw/zinc/45/52/41/1289455241.db2.gz DVXRUBUGSPTNFZ-UHFFFAOYSA-N 0 0 327.428 2.573 10 10 EFCERN C[C@H](NC(=O)[C@@]12C[C@@H]1COC2(C)C)c1ccc(N2CCOCC2)cc1 ZINC000823835319 1289464040 /nfs/dbraw/zinc/46/40/40/1289464040.db2.gz WSCCXCALCOXSPV-YYFZDKIDSA-N 0 0 344.455 2.516 10 10 EFCERN COc1ccc([C@H](C)CCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001136784553 1289465205 /nfs/dbraw/zinc/46/52/05/1289465205.db2.gz WSTZTCXGTLFHBC-CYBMUJFWSA-N 0 0 329.396 2.959 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001180409592 1289527240 /nfs/dbraw/zinc/52/72/40/1289527240.db2.gz DMYZGVNSNFLYNZ-UHFFFAOYSA-N 0 0 346.730 2.760 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 ZINC001136815764 1289532830 /nfs/dbraw/zinc/53/28/30/1289532830.db2.gz BVSVEISKLWBMNY-UHFFFAOYSA-N 0 0 345.746 2.854 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2cn[nH]c2)c1 ZINC001136817820 1289537071 /nfs/dbraw/zinc/53/70/71/1289537071.db2.gz BMJNAYRXXCCWIW-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCN(OC)CC1 ZINC000824241361 1289585166 /nfs/dbraw/zinc/58/51/66/1289585166.db2.gz YAYCCNIGMIAIKH-UHFFFAOYSA-N 0 0 333.476 2.765 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000824524154 1289680999 /nfs/dbraw/zinc/68/09/99/1289680999.db2.gz RFOKRBAMVMZFSI-RUGDWHBFSA-N 0 0 329.444 2.619 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001181824327 1289963474 /nfs/dbraw/zinc/96/34/74/1289963474.db2.gz YZICOAKGBXABCC-UHFFFAOYSA-N 0 0 335.743 2.704 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000873860483 1290090038 /nfs/dbraw/zinc/09/00/38/1290090038.db2.gz NRUHWLVIFJRSJW-OALUTQOASA-N 0 0 332.444 2.644 10 10 EFCERN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000874046588 1290180812 /nfs/dbraw/zinc/18/08/12/1290180812.db2.gz FMTPZUUBMPZEOL-OKILXGFUSA-N 0 0 333.388 2.538 10 10 EFCERN C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1ccc(N(C)C)cc1 ZINC000875507621 1290552190 /nfs/dbraw/zinc/55/21/90/1290552190.db2.gz GCZLZDSJAHZRGV-SIXWZSSISA-N 0 0 331.460 2.618 10 10 EFCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875693441 1290616269 /nfs/dbraw/zinc/61/62/69/1290616269.db2.gz ZPJSOSABJIORIR-OCCSQVGLSA-N 0 0 346.427 2.928 10 10 EFCERN COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001185282735 1290635809 /nfs/dbraw/zinc/63/58/09/1290635809.db2.gz VPHJFRVNPPWGAN-SECBINFHSA-N 0 0 331.328 2.581 10 10 EFCERN CN(C)c1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000092539357 1290786229 /nfs/dbraw/zinc/78/62/29/1290786229.db2.gz SEOKRUMTHKCZNH-UHFFFAOYSA-N 0 0 329.488 2.977 10 10 EFCERN COC(=O)c1nccc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001185950135 1290788408 /nfs/dbraw/zinc/78/84/08/1290788408.db2.gz YJVQCAFJMFJGHD-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN Cc1cc(NCc2ccc(N3CCOCC3)cc2)cc(OCCO)c1 ZINC000775034408 1290981308 /nfs/dbraw/zinc/98/13/08/1290981308.db2.gz RXZMEDIQDSCANZ-UHFFFAOYSA-N 0 0 342.439 2.815 10 10 EFCERN Cc1ccc(O)c(CNc2cnc(I)nc2)c1 ZINC001187082276 1291101640 /nfs/dbraw/zinc/10/16/40/1291101640.db2.gz WCUQPXSBVTXCIF-UHFFFAOYSA-N 0 0 341.152 2.707 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2Cc3cncnc3[C@H](C)C2)cc1OC ZINC001187438746 1291170478 /nfs/dbraw/zinc/17/04/78/1291170478.db2.gz ZQYNIWXTLHNULE-SNVBAGLBSA-N 0 0 330.344 2.526 10 10 EFCERN CCN(CC(=O)OC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753543377 1312837236 /nfs/dbraw/zinc/83/72/36/1312837236.db2.gz PPKBPBZRWCCXJA-UHFFFAOYSA-N 0 0 329.396 2.966 10 10 EFCERN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849055 1291554265 /nfs/dbraw/zinc/55/42/65/1291554265.db2.gz DRZWUFXZTDZKPC-BLLLJJGKSA-N 0 0 343.383 2.828 10 10 EFCERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000878313462 1291622117 /nfs/dbraw/zinc/62/21/17/1291622117.db2.gz HBBVMJPIXOJQRU-RDJZCZTQSA-N 0 0 346.446 2.839 10 10 EFCERN COC(=O)c1cc(OCC(=O)c2cc(C)n(C)c2C)ccc1N(C)C ZINC001189967531 1291933348 /nfs/dbraw/zinc/93/33/48/1291933348.db2.gz AXEJXGRKXDEEJQ-UHFFFAOYSA-N 0 0 344.411 2.756 10 10 EFCERN CC(=O)c1cc(F)cc(C[N@@H+]2CCCCCCNC(=O)CC2)c1O ZINC000879253807 1292043471 /nfs/dbraw/zinc/04/34/71/1292043471.db2.gz GYZTUKODRXJFPX-UHFFFAOYSA-N 0 0 336.407 2.616 10 10 EFCERN CCc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC000775377004 1292122890 /nfs/dbraw/zinc/12/28/90/1292122890.db2.gz FALXMQPQYPHZEN-UHFFFAOYSA-N 0 0 327.340 2.773 10 10 EFCERN COC[C@H](O)CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC000127903204 1292214241 /nfs/dbraw/zinc/21/42/41/1292214241.db2.gz WXURPYJNMWYPGG-OAHLLOKOSA-N 0 0 349.452 2.842 10 10 EFCERN CCN(CC(=O)N(C)C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000826142569 1292369807 /nfs/dbraw/zinc/36/98/07/1292369807.db2.gz FQBPPXAGXDVLMP-UHFFFAOYSA-N 0 0 341.455 2.573 10 10 EFCERN CC[C@H](C)CS(=O)(=O)NCc1cc(Br)ccc1O ZINC000796190180 1292384046 /nfs/dbraw/zinc/38/40/46/1292384046.db2.gz BIIYDSQOOGCMHQ-VIFPVBQESA-N 0 0 336.251 2.620 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)OCC(F)(F)F ZINC000796190269 1292384398 /nfs/dbraw/zinc/38/43/98/1292384398.db2.gz FFNZBHVMDCKYEC-UHFFFAOYSA-N 0 0 328.084 2.943 10 10 EFCERN CC(=O)c1cc(F)cc(Cn2cc([C@H]3CCCC(=O)C3)nn2)c1O ZINC000880996599 1292713797 /nfs/dbraw/zinc/71/37/97/1292713797.db2.gz XIHZUHUJVPFNKA-NSHDSACASA-N 0 0 331.347 2.600 10 10 EFCERN COc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000881251243 1292797311 /nfs/dbraw/zinc/79/73/11/1292797311.db2.gz XZZBXFBCWNOGQT-UHFFFAOYSA-N 0 0 345.447 2.937 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000796303694 1292821035 /nfs/dbraw/zinc/82/10/35/1292821035.db2.gz CSFPPNKRSWLFOG-ISVAXAHUSA-N 0 0 335.297 2.886 10 10 EFCERN CCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S ZINC000213055140 1293334762 /nfs/dbraw/zinc/33/47/62/1293334762.db2.gz ACSOHLKBUNENLV-SDQBBNPISA-N 0 0 334.401 2.628 10 10 EFCERN CNc1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000131042441 1293472114 /nfs/dbraw/zinc/47/21/14/1293472114.db2.gz LLEADXIMKLPJHO-UHFFFAOYSA-N 0 0 346.456 2.592 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1 ZINC000883901297 1293777282 /nfs/dbraw/zinc/77/72/82/1293777282.db2.gz BEYVZYVQVWLOEO-MJGOQNOKSA-N 0 0 331.460 2.996 10 10 EFCERN C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000101658133 1293806199 /nfs/dbraw/zinc/80/61/99/1293806199.db2.gz DWFDNHKOPFCKDO-HNNXBMFYSA-N 0 0 340.423 2.649 10 10 EFCERN COC(=O)c1cncc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775680285 1294104453 /nfs/dbraw/zinc/10/44/53/1294104453.db2.gz BJIWCZHEJRULTD-LBPRGKRZSA-N 0 0 342.399 2.817 10 10 EFCERN COCc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000775682536 1294105700 /nfs/dbraw/zinc/10/57/00/1294105700.db2.gz NWKDWKFPGKEDTM-GFCCVEGCSA-N 0 0 329.404 2.572 10 10 EFCERN COCc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000775682538 1294105899 /nfs/dbraw/zinc/10/58/99/1294105899.db2.gz NWKDWKFPGKEDTM-LBPRGKRZSA-N 0 0 329.404 2.572 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000135499671 1294232169 /nfs/dbraw/zinc/23/21/69/1294232169.db2.gz PMMNFVDTPQDQLL-UHFFFAOYSA-N 0 0 349.438 2.636 10 10 EFCERN Cc1nnc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)s1 ZINC001197946481 1294806697 /nfs/dbraw/zinc/80/66/97/1294806697.db2.gz AUHHLDGYDPXOLU-UHFFFAOYSA-N 0 0 331.489 2.543 10 10 EFCERN COC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000886359312 1294888489 /nfs/dbraw/zinc/88/84/89/1294888489.db2.gz ANHIHHAIQOHXSH-TZMCWYRMSA-N 0 0 344.249 2.686 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 ZINC000886372347 1294903899 /nfs/dbraw/zinc/90/38/99/1294903899.db2.gz NTDWRVIMYNNUCG-NXEZZACHSA-N 0 0 349.408 2.726 10 10 EFCERN Cc1cc(O)c(CNc2cc(C)c(S(N)(=O)=O)cc2C)cc1C ZINC000886384238 1294912710 /nfs/dbraw/zinc/91/27/10/1294912710.db2.gz JUTVJKGJTYARKL-UHFFFAOYSA-N 0 0 334.441 2.885 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001198800478 1295266230 /nfs/dbraw/zinc/26/62/30/1295266230.db2.gz LUYNPOGWKQEZEE-SFHVURJKSA-N 0 0 347.503 2.506 10 10 EFCERN Cn1nc2c(c1/C=C1/SC(N3CCCCC3)=NC1=O)CSCC2 ZINC000887277276 1295338314 /nfs/dbraw/zinc/33/83/14/1295338314.db2.gz RGQDKNLUNBBXHA-NTEUORMPSA-N 0 0 348.497 2.666 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000867301831 1295420312 /nfs/dbraw/zinc/42/03/12/1295420312.db2.gz FXKXZOJLWITTED-IUODEOHRSA-N 0 0 327.380 2.539 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000867302043 1295421535 /nfs/dbraw/zinc/42/15/35/1295421535.db2.gz JBGCGMIYWDZTIN-MRVPVSSYSA-N 0 0 335.791 2.713 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000890030652 1295880839 /nfs/dbraw/zinc/88/08/39/1295880839.db2.gz JASZBHSWEKOXEO-GFCCVEGCSA-N 0 0 330.384 2.932 10 10 EFCERN Cc1cc(/C=C\C(=O)NCC[S@](C)=O)c(C)n1-c1ccc(C)cc1 ZINC000098010302 1296286098 /nfs/dbraw/zinc/28/60/98/1296286098.db2.gz WVVFJKUSFFPWKQ-VWTHGPEQSA-N 0 0 344.480 2.910 10 10 EFCERN COc1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000776127378 1296510642 /nfs/dbraw/zinc/51/06/42/1296510642.db2.gz OYZRDIDHQRHNHO-CYBMUJFWSA-N 0 0 328.416 2.717 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C)CC=CC2)cc1 ZINC000924194792 1296745444 /nfs/dbraw/zinc/74/54/44/1296745444.db2.gz BBRHMGMUQMUTME-UHFFFAOYSA-N 0 0 330.428 2.611 10 10 EFCERN CCn1nc(C)c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000924795843 1296784253 /nfs/dbraw/zinc/78/42/53/1296784253.db2.gz QOOGRJOTQPPKFU-GJZGRUSLSA-N 0 0 343.475 2.855 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000925118719 1296801258 /nfs/dbraw/zinc/80/12/58/1296801258.db2.gz AXSTWVJRMIYEGF-XJKSGUPXSA-N 0 0 346.358 2.672 10 10 EFCERN Cc1ccc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(O)c1O ZINC000927276937 1297006970 /nfs/dbraw/zinc/00/69/70/1297006970.db2.gz DOQQQLRYIDLOSF-CYBMUJFWSA-N 0 0 333.281 2.913 10 10 EFCERN Nc1ccc(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CCC2)cc1 ZINC000927864198 1297051921 /nfs/dbraw/zinc/05/19/21/1297051921.db2.gz HVMMXUQKVFEVIE-UHFFFAOYSA-N 0 0 341.386 2.928 10 10 EFCERN COc1cccc(CCC(=O)NCc2c(O)cccc2F)c1OC ZINC000928710474 1297126385 /nfs/dbraw/zinc/12/63/85/1297126385.db2.gz SVLMDXHOBWOVLS-UHFFFAOYSA-N 0 0 333.359 2.798 10 10 EFCERN CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1c(O)cccc1F ZINC000928710383 1297126752 /nfs/dbraw/zinc/12/67/52/1297126752.db2.gz COUTZBIPHBSZKD-UHFFFAOYSA-N 0 0 342.370 2.834 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000929009921 1297152834 /nfs/dbraw/zinc/15/28/34/1297152834.db2.gz ALPFXHLUHBIQOI-ZLKJLUDKSA-N 0 0 334.803 2.998 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000929537657 1297190830 /nfs/dbraw/zinc/19/08/30/1297190830.db2.gz RHKWBJGFDBOACB-LFDJNIOPSA-N 0 0 328.456 2.915 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000778017320 1297361569 /nfs/dbraw/zinc/36/15/69/1297361569.db2.gz FOPKFBOISZZNMS-PMGRVEHTSA-N 0 0 348.399 2.768 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCO[C@H](C)C1 ZINC000779012930 1297742607 /nfs/dbraw/zinc/74/26/07/1297742607.db2.gz KUXIYSMCIMJIDD-CHWSQXEVSA-N 0 0 341.835 2.836 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(N2CCOCC2)c1 ZINC000779498516 1298323069 /nfs/dbraw/zinc/32/30/69/1298323069.db2.gz JHJZFICQAHMONQ-ALCCZGGFSA-N 0 0 340.379 2.586 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903973788 1313521071 /nfs/dbraw/zinc/52/10/71/1313521071.db2.gz HZKVFABJIVAJRV-CYBMUJFWSA-N 0 0 345.270 2.947 10 10 EFCERN C[C@@H](NCC1=NS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000851951667 1299482265 /nfs/dbraw/zinc/48/22/65/1299482265.db2.gz ZQSGSVODKAFHOR-CYBMUJFWSA-N 0 0 343.452 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(F)c3)C2)cc1 ZINC000851956160 1299485490 /nfs/dbraw/zinc/48/54/90/1299485490.db2.gz SEDUQFLMALXMMK-MRXNPFEDSA-N 0 0 343.402 2.912 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCCO[C@@H]2CC2(F)F)cc1 ZINC000851988424 1299492983 /nfs/dbraw/zinc/49/29/83/1299492983.db2.gz YHKZUZBKMLBOOA-OAHLLOKOSA-N 0 0 341.402 2.756 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000851986905 1299493723 /nfs/dbraw/zinc/49/37/23/1299493723.db2.gz IATHUSUQJNNWGF-IRXDYDNUSA-N 0 0 331.460 2.711 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCOC3CCCC3)C2)cc1 ZINC000852062787 1299531939 /nfs/dbraw/zinc/53/19/39/1299531939.db2.gz AYXTWOUXSNVNQK-OAHLLOKOSA-N 0 0 347.459 2.532 10 10 EFCERN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852190628 1299586956 /nfs/dbraw/zinc/58/69/56/1299586956.db2.gz MYJOEYCPWPGBAU-HNNXBMFYSA-N 0 0 333.476 2.739 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCCO3)C2)cc1 ZINC000852248050 1299613326 /nfs/dbraw/zinc/61/33/26/1299613326.db2.gz BCQXDSPWOJKYII-YJBOKZPZSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H]3CCCCO3)C2)cc1 ZINC000852248047 1299614204 /nfs/dbraw/zinc/61/42/04/1299614204.db2.gz BCQXDSPWOJKYII-CRAIPNDOSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCCCOC(C)C)C2)cc1 ZINC000852249593 1299615080 /nfs/dbraw/zinc/61/50/80/1299615080.db2.gz IONUYUNMVXYXSS-INIZCTEOSA-N 0 0 349.475 2.778 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(F)(F)F)C2)cc1 ZINC000852255384 1299619350 /nfs/dbraw/zinc/61/93/50/1299619350.db2.gz XGWSMRQTYQPZLO-VXGBXAGGSA-N 0 0 345.365 2.914 10 10 EFCERN CCOC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852273948 1299626374 /nfs/dbraw/zinc/62/63/74/1299626374.db2.gz AJALUHIYTXRTSJ-YJBOKZPZSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)cc1 ZINC000852338984 1299665437 /nfs/dbraw/zinc/66/54/37/1299665437.db2.gz HRYRQHRRMRLXBF-SWLSCSKDSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCC3(F)F)C2)cc1 ZINC000852338981 1299666034 /nfs/dbraw/zinc/66/60/34/1299666034.db2.gz HRYRQHRRMRLXBF-DOMZBBRYSA-N 0 0 339.386 2.761 10 10 EFCERN CCOCC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852344545 1299670363 /nfs/dbraw/zinc/67/03/63/1299670363.db2.gz PAWCLKHDQLJZFE-HNNXBMFYSA-N 0 0 349.475 2.636 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3occc3C)C2)cc1 ZINC000852353698 1299672479 /nfs/dbraw/zinc/67/24/79/1299672479.db2.gz MURGZSMXEZNYMF-AWEZNQCLSA-N 0 0 329.400 2.675 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](CC(C)C)OC)C2)cc1 ZINC000852384599 1299683441 /nfs/dbraw/zinc/68/34/41/1299683441.db2.gz FGIPMPLWAQJTMN-QAPCUYQASA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C3(OC)CCC3)C2)cc1 ZINC000852382648 1299684366 /nfs/dbraw/zinc/68/43/66/1299684366.db2.gz JHHKRZXPDITESV-LSDHHAIUSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CC(F)F)C2)cc1 ZINC000852392196 1299688219 /nfs/dbraw/zinc/68/82/19/1299688219.db2.gz IUKNOIMNZNELEN-STQMWFEESA-N 0 0 341.402 2.864 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCSC[C@@H](C)C3)C2)cc1 ZINC000852451409 1299709526 /nfs/dbraw/zinc/70/95/26/1299709526.db2.gz JZXPNBUNVFOKAN-LSDHHAIUSA-N 0 0 349.500 2.668 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCC4)C3)C2)cc1 ZINC000852451616 1299709637 /nfs/dbraw/zinc/70/96/37/1299709637.db2.gz OPOIBWCARBBGTA-HNNXBMFYSA-N 0 0 329.444 2.860 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@@H](F)C3)C2)cc1 ZINC000852456493 1299710448 /nfs/dbraw/zinc/71/04/48/1299710448.db2.gz YITIEMMTBJPKRV-ZQIUZPCESA-N 0 0 335.423 2.663 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCSC(C)(C)C3)C2)cc1 ZINC000852455349 1299710965 /nfs/dbraw/zinc/71/09/65/1299710965.db2.gz USLVXAHEQOJDLB-AWEZNQCLSA-N 0 0 349.500 2.811 10 10 EFCERN CC[C@@H](COCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852467000 1299714410 /nfs/dbraw/zinc/71/44/10/1299714410.db2.gz ZHYJGMWYDGLCBG-HNNXBMFYSA-N 0 0 337.439 2.896 10 10 EFCERN Cc1ccncc1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852493503 1299725575 /nfs/dbraw/zinc/72/55/75/1299725575.db2.gz ORRJXIVLPFBYQL-UHFFFAOYSA-N 0 0 326.444 2.840 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)c2cscn2)cc1 ZINC000852512478 1299732882 /nfs/dbraw/zinc/73/28/82/1299732882.db2.gz LHSAHSLUBDDUON-ZDUSSCGKSA-N 0 0 348.472 2.991 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@]2(C)CC2(F)F)cc1 ZINC000852579744 1299767121 /nfs/dbraw/zinc/76/71/21/1299767121.db2.gz BSTUWEFKCYDZAT-INIZCTEOSA-N 0 0 341.402 2.818 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCCC2SCCS2)cc1F ZINC000852679024 1299809310 /nfs/dbraw/zinc/80/93/10/1299809310.db2.gz JVZQOXRJPZDOBA-UHFFFAOYSA-N 0 0 343.493 2.887 10 10 EFCERN CC1(C)CC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000852699683 1299823035 /nfs/dbraw/zinc/82/30/35/1299823035.db2.gz WTOISGJGENICPS-UHFFFAOYSA-N 0 0 345.487 2.883 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000852780546 1299882963 /nfs/dbraw/zinc/88/29/63/1299882963.db2.gz OBTSZBGRYZVVJW-ABKXIKBNSA-N 0 0 331.334 2.978 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000852780549 1299882996 /nfs/dbraw/zinc/88/29/96/1299882996.db2.gz OBTSZBGRYZVVJW-XXFAHNHDSA-N 0 0 331.334 2.978 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000852857625 1299915772 /nfs/dbraw/zinc/91/57/72/1299915772.db2.gz ZFMYAZVICNAVSG-UHFFFAOYSA-N 0 0 343.475 2.705 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3cccnc3)C2)cc1 ZINC000853242389 1300062842 /nfs/dbraw/zinc/06/28/42/1300062842.db2.gz YDXISKHKLMORMS-GOEBONIOSA-N 0 0 340.427 2.729 10 10 EFCERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000853245229 1300064790 /nfs/dbraw/zinc/06/47/90/1300064790.db2.gz VWKBHCXPBGSCIM-OAHLLOKOSA-N 0 0 331.460 2.996 10 10 EFCERN Oc1cc2c(cc1CN1CCn3ncc(Br)c3C1)CCC2 ZINC000853600347 1300186026 /nfs/dbraw/zinc/18/60/26/1300186026.db2.gz WTEHTENWCAHVOQ-UHFFFAOYSA-N 0 0 348.244 2.856 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C\c2ccc(F)nc2C)c2ccccc21 ZINC000780004083 1300199462 /nfs/dbraw/zinc/19/94/62/1300199462.db2.gz COCGESZODXPNNF-GDNBJRDFSA-N 0 0 340.354 2.979 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853632307 1300203308 /nfs/dbraw/zinc/20/33/08/1300203308.db2.gz UMLZVKKPRRLPHO-HWPZZCPQSA-N 0 0 331.359 2.654 10 10 EFCERN COc1ccc(N2CC[C@@H](CNc3cc(CO)c(F)cn3)C2)cc1 ZINC000853699778 1300237021 /nfs/dbraw/zinc/23/70/21/1300237021.db2.gz NILSTKMDZNYCJO-ZDUSSCGKSA-N 0 0 331.391 2.660 10 10 EFCERN CCNC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC000853758406 1300260979 /nfs/dbraw/zinc/26/09/79/1300260979.db2.gz FPNHGUGFSQCMHR-HNNXBMFYSA-N 0 0 340.427 2.531 10 10 EFCERN COCc1nc(C)cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759132 1300261625 /nfs/dbraw/zinc/26/16/25/1300261625.db2.gz PSXUGKLLLHIAMA-AWEZNQCLSA-N 0 0 328.416 2.631 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)cc1 ZINC000853758826 1300262480 /nfs/dbraw/zinc/26/24/80/1300262480.db2.gz KWWHVPSPMAOADW-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759909 1300262513 /nfs/dbraw/zinc/26/25/13/1300262513.db2.gz DLWPQQFZJTVVDP-CYBMUJFWSA-N 0 0 345.403 2.819 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc([C@@H](C)OC)ns3)C2)cc1 ZINC000853760363 1300262799 /nfs/dbraw/zinc/26/27/99/1300262799.db2.gz KBIDCBVZVXUIRR-NEPJUHHUSA-N 0 0 334.445 2.945 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc(C4CCOCC4)no3)C2)cc1 ZINC000853760915 1300263848 /nfs/dbraw/zinc/26/38/48/1300263848.db2.gz OEMZFVQNLBHZHP-AWEZNQCLSA-N 0 0 344.415 2.663 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000853818098 1300292490 /nfs/dbraw/zinc/29/24/90/1300292490.db2.gz STINKYKMWQDGJY-AWEZNQCLSA-N 0 0 343.431 2.873 10 10 EFCERN COC1CC(CCNC(=O)NCCCSc2nccs2)C1 ZINC000853856014 1300310307 /nfs/dbraw/zinc/31/03/07/1300310307.db2.gz NYZBWZSOHNHIOQ-UHFFFAOYSA-N 0 0 329.491 2.740 10 10 EFCERN C[C@]1(C2CC2)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000853855912 1300310577 /nfs/dbraw/zinc/31/05/77/1300310577.db2.gz KQJAUIVBDLAFJT-OAHLLOKOSA-N 0 0 341.502 2.836 10 10 EFCERN Cc1cc(CC(=O)OCC(=O)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853933348 1300348396 /nfs/dbraw/zinc/34/83/96/1300348396.db2.gz BAKPDWWUDYNTEW-INIZCTEOSA-N 0 0 341.407 2.785 10 10 EFCERN Cc1cc(CC(=O)OCC(=O)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853933349 1300348630 /nfs/dbraw/zinc/34/86/30/1300348630.db2.gz BAKPDWWUDYNTEW-MRXNPFEDSA-N 0 0 341.407 2.785 10 10 EFCERN Cc1cc(CC(=O)OC[C@@H]2COC(=O)O2)c(C)n1-c1ccccc1 ZINC000853933928 1300349823 /nfs/dbraw/zinc/34/98/23/1300349823.db2.gz LSHMFGZTTXCJTB-MRXNPFEDSA-N 0 0 329.352 2.715 10 10 EFCERN COCCC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853935343 1300350157 /nfs/dbraw/zinc/35/01/57/1300350157.db2.gz YPYYOWRYSTVJKO-UHFFFAOYSA-N 0 0 329.396 2.785 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853999870 1300383846 /nfs/dbraw/zinc/38/38/46/1300383846.db2.gz QTPZPLIRAKDNLF-BJOHPYRUSA-N 0 0 346.330 2.861 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](OC)C3CCCC3)CC2)cc1 ZINC000854198713 1300468297 /nfs/dbraw/zinc/46/82/97/1300468297.db2.gz PWFCMMKRZUVWDZ-SFHVURJKSA-N 0 0 332.444 2.549 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000854198853 1300468556 /nfs/dbraw/zinc/46/85/56/1300468556.db2.gz RMRQJGPNYOUJEV-MAUKXSAKSA-N 0 0 332.444 2.549 10 10 EFCERN CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCOCC2)cc1 ZINC000854271092 1300498100 /nfs/dbraw/zinc/49/81/00/1300498100.db2.gz WIWJAGYUJXZLQR-UHFFFAOYSA-N 0 0 330.350 2.728 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000854271843 1300498196 /nfs/dbraw/zinc/49/81/96/1300498196.db2.gz RVXOUODLDLBGLY-MRXNPFEDSA-N 0 0 332.444 2.737 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC4(C3)CCCC4)C2)cc1 ZINC000854298874 1300504530 /nfs/dbraw/zinc/50/45/30/1300504530.db2.gz JFIWIEWUIQWQRV-HNNXBMFYSA-N 0 0 329.444 2.860 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC3(C4(C)CC4)CC3)C2)cc1 ZINC000854298202 1300504537 /nfs/dbraw/zinc/50/45/37/1300504537.db2.gz YEFXKKUPDQJSQQ-CQSZACIVSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C(C)(C)C)C3)C2)cc1 ZINC000854298131 1300505404 /nfs/dbraw/zinc/50/54/04/1300505404.db2.gz WIPFXRTWJSVOMY-OAHLLOKOSA-N 0 0 331.460 2.961 10 10 EFCERN CCC[C@@]1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854297938 1300505298 /nfs/dbraw/zinc/50/52/98/1300505298.db2.gz TWOLJUQIDCTCIE-DNVCBOLYSA-N 0 0 347.459 2.532 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2c(C(F)(F)F)cnn2C)cc1 ZINC000854325118 1300520952 /nfs/dbraw/zinc/52/09/52/1300520952.db2.gz ZCXRJJNZMXUFPC-UHFFFAOYSA-N 0 0 340.349 2.777 10 10 EFCERN Cc1cc(CC(=O)NCCOC(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000854336595 1300525116 /nfs/dbraw/zinc/52/51/16/1300525116.db2.gz XYVCLWSNKZBLFO-UHFFFAOYSA-N 0 0 340.423 2.706 10 10 EFCERN CO[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000854442298 1300568948 /nfs/dbraw/zinc/56/89/48/1300568948.db2.gz MWZZAOOJOHVWCI-AWEZNQCLSA-N 0 0 342.233 2.976 10 10 EFCERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1Cl ZINC000776745171 1300591409 /nfs/dbraw/zinc/59/14/09/1300591409.db2.gz FPVBUODJQYVNLF-UHFFFAOYSA-N 0 0 341.772 2.633 10 10 EFCERN COc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)c(O)c1 ZINC000795286069 1300618687 /nfs/dbraw/zinc/61/86/87/1300618687.db2.gz YXEPOTXSFPTEHA-UHFFFAOYSA-N 0 0 325.372 2.605 10 10 EFCERN CCNC(=O)C(C)(C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854904315 1300730914 /nfs/dbraw/zinc/73/09/14/1300730914.db2.gz TVSWXGITYRMOCV-UHFFFAOYSA-N 0 0 341.455 2.668 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12C[C@H]1COC2(C)C ZINC000854947532 1300745799 /nfs/dbraw/zinc/74/57/99/1300745799.db2.gz AHXHMCDPORMNFK-UVFQYZLESA-N 0 0 330.472 2.923 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Cc2cc(C3CC3)no2)cc1 ZINC000855019842 1300766277 /nfs/dbraw/zinc/76/62/77/1300766277.db2.gz ABUZVUIPWPEHAU-UHFFFAOYSA-N 0 0 343.427 2.698 10 10 EFCERN COC(=O)[C@H](CCF)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855019190 1300766817 /nfs/dbraw/zinc/76/68/17/1300766817.db2.gz TURVVUOUXDPXAY-KRWDZBQOSA-N 0 0 346.402 2.654 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)C2)cc1 ZINC000855223514 1300844770 /nfs/dbraw/zinc/84/47/70/1300844770.db2.gz BBKGTBWKACMYLA-GOEBONIOSA-N 0 0 334.460 2.577 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3C(C)(C)C)C2)cc1 ZINC000855223530 1300845530 /nfs/dbraw/zinc/84/55/30/1300845530.db2.gz BIFZFEGGGZSMBH-ZDUSSCGKSA-N 0 0 342.443 2.725 10 10 EFCERN COCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000855224477 1300846417 /nfs/dbraw/zinc/84/64/17/1300846417.db2.gz KUBUASITOMASSK-HNNXBMFYSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3csc(C(C)=O)c3)C2)cc1 ZINC000855224387 1300847701 /nfs/dbraw/zinc/84/77/01/1300847701.db2.gz FWVGTKUDJAJIHR-AWEZNQCLSA-N 0 0 344.436 2.968 10 10 EFCERN CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1O ZINC000855227408 1300848103 /nfs/dbraw/zinc/84/81/03/1300848103.db2.gz WGCLJFCGUHGAKC-MRXNPFEDSA-N 0 0 340.423 2.972 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1 ZINC000855227297 1300848965 /nfs/dbraw/zinc/84/89/65/1300848965.db2.gz XCSFERZDCAKXPY-AYOQOUSVSA-N 0 0 337.423 2.589 10 10 EFCERN CCCc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855226682 1300849177 /nfs/dbraw/zinc/84/91/77/1300849177.db2.gz PSIQLOHUQRYTAI-AWEZNQCLSA-N 0 0 343.427 2.953 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3OC)C2)cc1 ZINC000855227338 1300849240 /nfs/dbraw/zinc/84/92/40/1300849240.db2.gz VMWFNPCNIYXDJF-QGTPRVQTSA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@H]3CCCC[C@H]3C)C2)cc1 ZINC000855230306 1300851420 /nfs/dbraw/zinc/85/14/20/1300851420.db2.gz GAAAJEQMDIVKOF-GJYPPUQNSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCC3CCOCC3)C2)cc1 ZINC000855229550 1300851608 /nfs/dbraw/zinc/85/16/08/1300851608.db2.gz ALTVNAAHQAXJRE-MRXNPFEDSA-N 0 0 332.444 2.597 10 10 EFCERN CCc1nc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855231894 1300851961 /nfs/dbraw/zinc/85/19/61/1300851961.db2.gz YDSMKYKWVHVFFZ-CYBMUJFWSA-N 0 0 345.468 2.652 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000855232197 1300852326 /nfs/dbraw/zinc/85/23/26/1300852326.db2.gz QSRWWILWMVBKNA-DOMZBBRYSA-N 0 0 342.443 2.534 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)nc3C)C2)cc1 ZINC000855231925 1300852644 /nfs/dbraw/zinc/85/26/44/1300852644.db2.gz YVBMOASHSBCMIX-OAHLLOKOSA-N 0 0 325.412 2.716 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)COC4)C2)cc1 ZINC000855231753 1300852721 /nfs/dbraw/zinc/85/27/21/1300852721.db2.gz YBCZRVPCGLUEGH-KRWDZBQOSA-N 0 0 338.407 2.734 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cncnc3C(C)C)C2)cc1 ZINC000855230967 1300853086 /nfs/dbraw/zinc/85/30/86/1300853086.db2.gz GZLIPLPBCTYOHO-CQSZACIVSA-N 0 0 340.427 2.617 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3noc4c3CCCC4)C2)cc1 ZINC000855231700 1300853252 /nfs/dbraw/zinc/85/32/52/1300853252.db2.gz XUEZTMMKEYPJGG-CYBMUJFWSA-N 0 0 341.411 2.571 10 10 EFCERN COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855235126 1300854742 /nfs/dbraw/zinc/85/47/42/1300854742.db2.gz XZDRMZWEOIAWMR-MRXNPFEDSA-N 0 0 340.423 2.641 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3C)C2)cc1 ZINC000855234754 1300855321 /nfs/dbraw/zinc/85/53/21/1300855321.db2.gz LOYFWFSUKQKMPC-INIZCTEOSA-N 0 0 340.423 2.778 10 10 EFCERN Cc1cc(C(=O)Nc2nnc(C3CC3)n2C)c(C)n1-c1ccccn1 ZINC000855252995 1300865124 /nfs/dbraw/zinc/86/51/24/1300865124.db2.gz VSYHRGHXZBSPIO-UHFFFAOYSA-N 0 0 336.399 2.747 10 10 EFCERN CO[C@]1(CO)CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000855441405 1300958289 /nfs/dbraw/zinc/95/82/89/1300958289.db2.gz HBBULFKZTRJNCF-HXUWFJFHSA-N 0 0 342.439 2.708 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000855772308 1301100924 /nfs/dbraw/zinc/10/09/24/1301100924.db2.gz LGSZDKBDAQFPLY-LVKZSUFYSA-N 0 0 339.391 2.800 10 10 EFCERN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)CS1 ZINC000855819961 1301133076 /nfs/dbraw/zinc/13/30/76/1301133076.db2.gz QFHXJBGSXOPPBB-UHFFFAOYSA-N 0 0 338.429 2.583 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)c(C)n1-c1ccccn1 ZINC000855926892 1301177005 /nfs/dbraw/zinc/17/70/05/1301177005.db2.gz YEPJWUTZTSFKNE-JKSUJKDBSA-N 0 0 325.412 2.522 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)[C@@H]1CCOC1 ZINC000859263568 1301414390 /nfs/dbraw/zinc/41/43/90/1301414390.db2.gz JLRLLAILZCGZNY-MRXNPFEDSA-N 0 0 326.396 2.768 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@]1(C)Br ZINC000859420894 1301458338 /nfs/dbraw/zinc/45/83/38/1301458338.db2.gz CSRGFWUOQFUUCL-HIFRSBDPSA-N 0 0 325.250 2.851 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@]1(C)Br ZINC000859420893 1301458868 /nfs/dbraw/zinc/45/88/68/1301458868.db2.gz CSRGFWUOQFUUCL-DZGCQCFKSA-N 0 0 325.250 2.851 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(N)cc2)c(C)n1[C@@H]1CCCOC1 ZINC000859594397 1301502035 /nfs/dbraw/zinc/50/20/35/1301502035.db2.gz YPIMODSMYVVZQN-QGZVFWFLSA-N 0 0 327.428 2.969 10 10 EFCERN COC1CCN(c2ccc(CN3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000859908836 1301633540 /nfs/dbraw/zinc/63/35/40/1301633540.db2.gz PXCIFJPBSVTCRP-IBGZPJMESA-N 0 0 336.451 2.862 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000860176871 1301731263 /nfs/dbraw/zinc/73/12/63/1301731263.db2.gz KIINIMNSJTZPON-KRWDZBQOSA-N 0 0 344.455 2.835 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccccc2O)C1 ZINC000860235077 1301749547 /nfs/dbraw/zinc/74/95/47/1301749547.db2.gz WWGUAEWRERQHIH-CQSZACIVSA-N 0 0 332.400 2.622 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2ccccc2O)C1 ZINC000860235075 1301750137 /nfs/dbraw/zinc/75/01/37/1301750137.db2.gz WWGUAEWRERQHIH-AWEZNQCLSA-N 0 0 332.400 2.622 10 10 EFCERN Cc1ccc(O)c(CNC(=O)Nc2cccc3c2CCN(C)C3=O)c1 ZINC000861214191 1302042076 /nfs/dbraw/zinc/04/20/76/1302042076.db2.gz WNZASECBQJRQIN-UHFFFAOYSA-N 0 0 339.395 2.650 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3conc3C(C)C)C2)cc1 ZINC000862158100 1302301867 /nfs/dbraw/zinc/30/18/67/1302301867.db2.gz BMDONFYLADFHIZ-CYBMUJFWSA-N 0 0 329.400 2.815 10 10 EFCERN CO[C@@H](C)c1noc(CN(C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862252115 1302323829 /nfs/dbraw/zinc/32/38/29/1302323829.db2.gz QQOXTGHEJCXDJC-JTQLQIEISA-N 0 0 340.374 2.753 10 10 EFCERN O=[N+]([O-])c1cc(CN2CC3(C2)CCCO3)ccc1N1CCCCC1 ZINC000862484100 1302396256 /nfs/dbraw/zinc/39/62/56/1302396256.db2.gz CIMPDRFTXBNSMW-UHFFFAOYSA-N 0 0 331.416 2.950 10 10 EFCERN COc1cc(Br)cc(CN2CC3(C2)CCCO3)c1O ZINC000862484258 1302397045 /nfs/dbraw/zinc/39/70/45/1302397045.db2.gz HUCXOLFGZYTLFH-UHFFFAOYSA-N 0 0 328.206 2.528 10 10 EFCERN CN(CCOCC[N@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000862489193 1302400524 /nfs/dbraw/zinc/40/05/24/1302400524.db2.gz CZDQKPHQHKKBGZ-UHFFFAOYSA-N 0 0 338.448 2.708 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000862760062 1302451371 /nfs/dbraw/zinc/45/13/71/1302451371.db2.gz KQOOUYCBUFLSPK-CVEARBPZSA-N 0 0 339.391 2.892 10 10 EFCERN Cc1cc(CNC(=O)[C@@H]2CCCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000863163439 1302545675 /nfs/dbraw/zinc/54/56/75/1302545675.db2.gz COHFOADFWBFTRV-SFHVURJKSA-N 0 0 339.439 2.579 10 10 EFCERN CN(C)c1ccc(CN2C(=O)[C@@H]3c4ccoc4CCN3C2=O)cc1F ZINC000863502653 1302634369 /nfs/dbraw/zinc/63/43/69/1302634369.db2.gz CVQFKZVFFUUPCZ-INIZCTEOSA-N 0 0 343.358 2.546 10 10 EFCERN CN(C)c1ccc(CN2C(=O)[C@H]3c4ccoc4CCN3C2=O)cc1F ZINC000863502654 1302634672 /nfs/dbraw/zinc/63/46/72/1302634672.db2.gz CVQFKZVFFUUPCZ-MRXNPFEDSA-N 0 0 343.358 2.546 10 10 EFCERN O=C1[C@@H]2c3ccoc3CCN2C(=O)N1CCCSc1nccs1 ZINC000863504707 1302636377 /nfs/dbraw/zinc/63/63/77/1302636377.db2.gz XUVFQZRDYAHIML-LBPRGKRZSA-N 0 0 349.437 2.780 10 10 EFCERN CCC(F)(F)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000863527364 1302641532 /nfs/dbraw/zinc/64/15/32/1302641532.db2.gz UMFQAHAFXSFKHG-UHFFFAOYSA-N 0 0 332.734 2.855 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccncc3)CC2)cc1 ZINC000864470784 1302944242 /nfs/dbraw/zinc/94/42/42/1302944242.db2.gz PWHAKSLFBQFVMZ-OAHLLOKOSA-N 0 0 325.412 2.543 10 10 EFCERN COCc1sccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000864470692 1302944471 /nfs/dbraw/zinc/94/44/71/1302944471.db2.gz NKDDZZVDAROEEG-UHFFFAOYSA-N 0 0 346.452 2.866 10 10 EFCERN C[C@@H]1CCn2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)nc2C1 ZINC000864634976 1303008139 /nfs/dbraw/zinc/00/81/39/1303008139.db2.gz VJVULHMMPWUXMR-CQSZACIVSA-N 0 0 326.444 2.804 10 10 EFCERN C[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000865017995 1303122932 /nfs/dbraw/zinc/12/29/32/1303122932.db2.gz FQEBAQHRLLPKBS-ZTNFWEORSA-N 0 0 344.455 2.660 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000865018058 1303123250 /nfs/dbraw/zinc/12/32/50/1303123250.db2.gz GOJRXHVYLCXSSA-CJBAZIHXSA-N 0 0 328.456 2.993 10 10 EFCERN CCO[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000865027400 1303126465 /nfs/dbraw/zinc/12/64/65/1303126465.db2.gz OIMHMNWSGHLNCU-FUHWJXTLSA-N 0 0 334.460 2.543 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(CCOC)c1C ZINC000865027465 1303126834 /nfs/dbraw/zinc/12/68/34/1303126834.db2.gz QXPCNBANAHASLD-UHFFFAOYSA-N 0 0 344.459 2.566 10 10 EFCERN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000865054053 1303140722 /nfs/dbraw/zinc/14/07/22/1303140722.db2.gz OLEONZDZQUDUFS-OHTSDLOESA-N 0 0 328.456 2.890 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3[nH]ncc3C(F)(F)F)ccc21 ZINC000865054058 1303141169 /nfs/dbraw/zinc/14/11/69/1303141169.db2.gz OUTCZPDPYBJZJE-UHFFFAOYSA-N 0 0 338.333 2.741 10 10 EFCERN CCOC(=O)CCc1cc(NCc2ccc(N(C)C)cc2)nc(C)n1 ZINC000865415343 1303244297 /nfs/dbraw/zinc/24/42/97/1303244297.db2.gz LUTIQXSJLSGOED-UHFFFAOYSA-N 0 0 342.443 2.959 10 10 EFCERN Cn1c2ccncc2nc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000865452653 1303263863 /nfs/dbraw/zinc/26/38/63/1303263863.db2.gz MMASXEQAHRDRDA-UHFFFAOYSA-N 0 0 341.390 2.556 10 10 EFCERN C[C@@H](O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000865453004 1303264092 /nfs/dbraw/zinc/26/40/92/1303264092.db2.gz UUIXGQAYSOZNTQ-CYBMUJFWSA-N 0 0 331.391 2.723 10 10 EFCERN CCn1cnc2c1nc(Cl)nc2NCCc1ccc(O)c(O)c1 ZINC000865585418 1303321040 /nfs/dbraw/zinc/32/10/40/1303321040.db2.gz IDTOVTFNPHQJQH-UHFFFAOYSA-N 0 0 333.779 2.565 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cn2cc(F)ccc2n1 ZINC000865903408 1303447987 /nfs/dbraw/zinc/44/79/87/1303447987.db2.gz BKNKKRSJEDEBFN-UHFFFAOYSA-N 0 0 340.402 2.707 10 10 EFCERN CC[C@@]1(O)CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000866067257 1303510946 /nfs/dbraw/zinc/51/09/46/1303510946.db2.gz VHEOONTYZQZEGO-BQLWYNFJSA-N 0 0 334.372 2.522 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000866205159 1303561448 /nfs/dbraw/zinc/56/14/48/1303561448.db2.gz BGDKLRRFHANTTE-BDSSXFGHSA-N 0 0 348.424 2.970 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000866205161 1303562016 /nfs/dbraw/zinc/56/20/16/1303562016.db2.gz BGDKLRRFHANTTE-JRFBKZHLSA-N 0 0 348.424 2.970 10 10 EFCERN CN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000866278307 1303589071 /nfs/dbraw/zinc/58/90/71/1303589071.db2.gz PBWAZIMZTNJGNX-WSROAFLRSA-N 0 0 334.420 2.576 10 10 EFCERN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866412608 1303628104 /nfs/dbraw/zinc/62/81/04/1303628104.db2.gz KWBFXKSPJPNARY-RYUDHWBXSA-N 0 0 346.393 2.907 10 10 EFCERN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866530455 1303674293 /nfs/dbraw/zinc/67/42/93/1303674293.db2.gz BBCGZDSTONKMKQ-GXTWGEPZSA-N 0 0 336.388 2.537 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866530456 1303674674 /nfs/dbraw/zinc/67/46/74/1303674674.db2.gz BBCGZDSTONKMKQ-JSGCOSHPSA-N 0 0 336.388 2.537 10 10 EFCERN C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(F)ccc1O ZINC000866576645 1303694806 /nfs/dbraw/zinc/69/48/06/1303694806.db2.gz KZFZMEZLNKYODE-ZDUSSCGKSA-N 0 0 343.402 2.907 10 10 EFCERN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000866576892 1303694872 /nfs/dbraw/zinc/69/48/72/1303694872.db2.gz BDSDAQSZRNTSMR-AWEZNQCLSA-N 0 0 348.468 2.502 10 10 EFCERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1ccccc1O ZINC000866755174 1303780019 /nfs/dbraw/zinc/78/00/19/1303780019.db2.gz JCPWQEYFGYJBRV-INIZCTEOSA-N 0 0 325.364 2.741 10 10 EFCERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000866757593 1303781173 /nfs/dbraw/zinc/78/11/73/1303781173.db2.gz ZOYYRCSBYNXAMJ-UHFFFAOYSA-N 0 0 342.439 2.682 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccn(C(C)(C)C)c2=O)c1 ZINC000866763065 1303783324 /nfs/dbraw/zinc/78/33/24/1303783324.db2.gz CEQDFDQMRSVFPK-GFCCVEGCSA-N 0 0 344.411 2.809 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000866765105 1303784063 /nfs/dbraw/zinc/78/40/63/1303784063.db2.gz RRNAPJSMASWWKU-FRRDWIJNSA-N 0 0 335.400 2.557 10 10 EFCERN O=C(NCc1cnn(Cc2ccccc2)c1)NCc1ccccc1O ZINC000748459645 1313937756 /nfs/dbraw/zinc/93/77/56/1313937756.db2.gz HXKRKFMSOMAPFA-UHFFFAOYSA-N 0 0 336.395 2.636 10 10 EFCERN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(-n2cncn2)cc1 ZINC000748461300 1313938723 /nfs/dbraw/zinc/93/87/23/1313938723.db2.gz VJVFYKJTCOEVCS-CYBMUJFWSA-N 0 0 337.383 2.533 10 10 EFCERN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000867690493 1303911728 /nfs/dbraw/zinc/91/17/28/1303911728.db2.gz GAIBBNWPLZRQDV-LLVKDONJSA-N 0 0 331.384 2.863 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)c1ccccc1O ZINC000867834965 1303977672 /nfs/dbraw/zinc/97/76/72/1303977672.db2.gz XGLDFFOTZFEFFZ-LBPRGKRZSA-N 0 0 333.409 2.757 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000867834587 1303978229 /nfs/dbraw/zinc/97/82/29/1303978229.db2.gz RFRSZYBRHMNZMZ-LBPRGKRZSA-N 0 0 349.408 2.593 10 10 EFCERN C[C@H](NS(=O)(=O)CCCOCc1ccccc1)c1ccccc1O ZINC000867836574 1303978789 /nfs/dbraw/zinc/97/87/89/1303978789.db2.gz YBWJVLMCEMHIGP-HNNXBMFYSA-N 0 0 349.452 2.980 10 10 EFCERN CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000867836368 1303978797 /nfs/dbraw/zinc/97/87/97/1303978797.db2.gz QBXNZWUGSTWLPH-SUMWQHHRSA-N 0 0 335.425 2.760 10 10 EFCERN CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000867836004 1303978898 /nfs/dbraw/zinc/97/88/98/1303978898.db2.gz AFDFABOKRKWAOJ-LRDDRELGSA-N 0 0 327.446 2.578 10 10 EFCERN CC(C)Oc1cncc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867836591 1303979391 /nfs/dbraw/zinc/97/93/91/1303979391.db2.gz ZDDHNGRWVUYILU-LBPRGKRZSA-N 0 0 336.413 2.614 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000868112891 1304133609 /nfs/dbraw/zinc/13/36/09/1304133609.db2.gz RDPUCXXCWCADPZ-JAQSECSASA-N 0 0 343.471 2.755 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868313916 1304236980 /nfs/dbraw/zinc/23/69/80/1304236980.db2.gz DWYUYBMRJRRYAA-RYUDHWBXSA-N 0 0 330.432 2.734 10 10 EFCERN C[C@H](NC(=O)NCC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000868413169 1304285063 /nfs/dbraw/zinc/28/50/63/1304285063.db2.gz FYMIEGNLGOTWDB-KBPBESRZSA-N 0 0 342.395 2.983 10 10 EFCERN C[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000868476936 1304314020 /nfs/dbraw/zinc/31/40/20/1304314020.db2.gz GAOXNQJMRJWGHE-KBPBESRZSA-N 0 0 334.416 2.828 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000868514416 1304333853 /nfs/dbraw/zinc/33/38/53/1304333853.db2.gz BZXOBWGJMYCHSA-CZUORRHYSA-N 0 0 327.432 2.844 10 10 EFCERN C[C@H](NC(=O)NCCOCC(F)(F)C(F)F)c1ccccc1O ZINC000868545389 1304349544 /nfs/dbraw/zinc/34/95/44/1304349544.db2.gz MIGMRGFHZOYXSW-VIFPVBQESA-N 0 0 338.301 2.669 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC34CC4)C2)cc1 ZINC000868762091 1304459969 /nfs/dbraw/zinc/45/99/69/1304459969.db2.gz LHWXWWORUSRPBE-WMLDXEAASA-N 0 0 329.444 2.906 10 10 EFCERN COc1cccc(OC)c1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868765893 1304463144 /nfs/dbraw/zinc/46/31/44/1304463144.db2.gz MLCOHULTBAWYSE-LBPRGKRZSA-N 0 0 330.384 2.970 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000868777811 1304470238 /nfs/dbraw/zinc/47/02/38/1304470238.db2.gz AQGBOXPRFGYMQK-FRFSOERESA-N 0 0 342.443 2.897 10 10 EFCERN C[C@@H](NC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000868777813 1304470500 /nfs/dbraw/zinc/47/05/00/1304470500.db2.gz AQGBOXPRFGYMQK-KMFMINBZSA-N 0 0 342.443 2.897 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1 ZINC000868957185 1304549143 /nfs/dbraw/zinc/54/91/43/1304549143.db2.gz XTIUAWZPQJEBJJ-CVAIRZPRSA-N 0 0 344.455 2.597 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000869043503 1304587967 /nfs/dbraw/zinc/58/79/67/1304587967.db2.gz DBATUMYFRDEVQT-HKUYNNGSSA-N 0 0 345.487 2.957 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3ccncc3)C2)cc1 ZINC000869228994 1304670255 /nfs/dbraw/zinc/67/02/55/1304670255.db2.gz QXBNIMPRXYRGLC-GDBMZVCRSA-N 0 0 325.412 2.589 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(C=O)c3)C2)cc1 ZINC000869228949 1304670582 /nfs/dbraw/zinc/67/05/82/1304670582.db2.gz QCEFTXAOGWUUDF-HNNXBMFYSA-N 0 0 342.370 2.656 10 10 EFCERN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3O)CCO2)cc1 ZINC000870100495 1305134803 /nfs/dbraw/zinc/13/48/03/1305134803.db2.gz HPLWOHPTBZVZHC-INIZCTEOSA-N 0 0 343.379 2.629 10 10 EFCERN Cc1ccc(C(=O)N2CCC(Cc3nccs3)CC2)c(O)c1O ZINC000870264744 1305231755 /nfs/dbraw/zinc/23/17/55/1305231755.db2.gz CJCOYRZDOKUAHV-UHFFFAOYSA-N 0 0 332.425 2.958 10 10 EFCERN Nc1ccc(CC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000870980322 1305724660 /nfs/dbraw/zinc/72/46/60/1305724660.db2.gz PGHFVNWCYHAQQA-UHFFFAOYSA-N 0 0 340.427 2.868 10 10 EFCERN COc1cc(CCC(=O)N2Cc3cccc(O)c3C2)cc(OC)c1 ZINC000871198531 1305884316 /nfs/dbraw/zinc/88/43/16/1305884316.db2.gz JGZJYEDBRVUJCA-UHFFFAOYSA-N 0 0 327.380 2.884 10 10 EFCERN O=C(c1ccc(CN2CCCC2=O)cc1)N1Cc2cccc(O)c2C1 ZINC000871199224 1305886176 /nfs/dbraw/zinc/88/61/76/1305886176.db2.gz OAMTYOJOANTFDE-UHFFFAOYSA-N 0 0 336.391 2.671 10 10 EFCERN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871199436 1305886777 /nfs/dbraw/zinc/88/67/77/1305886777.db2.gz XLFQYWYYSWPYSS-OAHLLOKOSA-N 0 0 334.416 2.784 10 10 EFCERN COc1cccc(CO[C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199127 1305886870 /nfs/dbraw/zinc/88/68/70/1305886870.db2.gz SRSYETBBPHOJFT-CYBMUJFWSA-N 0 0 327.380 2.848 10 10 EFCERN O=C(c1[nH]nc(C2CC2)c1Br)N1Cc2cccc(O)c2C1 ZINC000871200567 1305887945 /nfs/dbraw/zinc/88/79/45/1305887945.db2.gz GQPPMIIZEHIHLK-UHFFFAOYSA-N 0 0 348.200 2.911 10 10 EFCERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203701 1305889346 /nfs/dbraw/zinc/88/93/46/1305889346.db2.gz QFXQCRSZNAHNIW-ZDUSSCGKSA-N 0 0 325.364 2.809 10 10 EFCERN CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202967 1305889646 /nfs/dbraw/zinc/88/96/46/1305889646.db2.gz IEZLNWZCDQXOMP-UHFFFAOYSA-N 0 0 334.416 2.785 10 10 EFCERN C[C@@H](CCC(=O)N1Cc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC000871203461 1305889774 /nfs/dbraw/zinc/88/97/74/1305889774.db2.gz AQMJFCHHZZJBDT-LBPRGKRZSA-N 0 0 334.416 2.928 10 10 EFCERN O=C(c1ccc(OCC(F)(F)F)cn1)N1Cc2cccc(O)c2C1 ZINC000871204911 1305890724 /nfs/dbraw/zinc/89/07/24/1305890724.db2.gz SLRZKOUIODHWQE-UHFFFAOYSA-N 0 0 338.285 2.884 10 10 EFCERN Cn1ccnc1[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000871204923 1305890870 /nfs/dbraw/zinc/89/08/70/1305890870.db2.gz LJVPJDFLEKSAQE-GFCCVEGCSA-N 0 0 339.317 2.704 10 10 EFCERN CCOC(=O)Nc1scnc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204540 1305891132 /nfs/dbraw/zinc/89/11/32/1305891132.db2.gz GBPVDGFNUSZIAA-UHFFFAOYSA-N 0 0 333.369 2.573 10 10 EFCERN CC(C)(C)OC(=O)N1CC(CCC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871207265 1305892759 /nfs/dbraw/zinc/89/27/59/1305892759.db2.gz LSCWKLIGTCAHKQ-UHFFFAOYSA-N 0 0 346.427 2.882 10 10 EFCERN CC[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(OC)c1OC ZINC000871277959 1305949741 /nfs/dbraw/zinc/94/97/41/1305949741.db2.gz IJEWBKYFNMZGCV-CYBMUJFWSA-N 0 0 331.368 2.996 10 10 EFCERN Cc1cc(CCNC(=O)/C=C/Cn2cncn2)c(C)n1-c1ccccc1 ZINC000900031337 1307615797 /nfs/dbraw/zinc/61/57/97/1307615797.db2.gz GYQIWIOGGDIMKP-RMKNXTFCSA-N 0 0 349.438 2.601 10 10 EFCERN CCC[C@@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000900326289 1307977549 /nfs/dbraw/zinc/97/75/49/1307977549.db2.gz MOBTZJKEUCMYPB-MRXNPFEDSA-N 0 0 337.397 2.774 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(Br)cc2[nH]cnc21 ZINC000800519698 1308036049 /nfs/dbraw/zinc/03/60/49/1308036049.db2.gz UINJXNVZPIBMAZ-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN Cc1[nH]nc(Cl)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900387040 1308112883 /nfs/dbraw/zinc/11/28/83/1308112883.db2.gz OVVMHAMGAYFSIA-NSHDSACASA-N 0 0 348.834 2.699 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3nnc(-c4ccco4)o3)ccc21 ZINC000900433416 1308159819 /nfs/dbraw/zinc/15/98/19/1308159819.db2.gz MHYPNERPPREZMS-UHFFFAOYSA-N 0 0 338.367 2.642 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3c(C)[nH]nc3Cl)CC2)cc1 ZINC000900507042 1308232046 /nfs/dbraw/zinc/23/20/46/1308232046.db2.gz DIWDHPWURHNUPI-UHFFFAOYSA-N 0 0 348.834 2.779 10 10 EFCERN COc1ccc(N2CCN(c3nc([C@H](C)OC)ns3)CC2)cc1 ZINC000800845230 1308541387 /nfs/dbraw/zinc/54/13/87/1308541387.db2.gz HHRPHIFFWBEOHO-LBPRGKRZSA-N 0 0 334.445 2.581 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)c1nccs1 ZINC000900895572 1308851303 /nfs/dbraw/zinc/85/13/03/1308851303.db2.gz RQEBYKYMMPANNN-UHFFFAOYSA-N 0 0 331.441 2.912 10 10 EFCERN COc1cccc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)c1O ZINC000901127881 1309544300 /nfs/dbraw/zinc/54/43/00/1309544300.db2.gz OHVADPXVCFDKPK-LBPRGKRZSA-N 0 0 348.365 2.584 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c(O)c1O ZINC000801472254 1310278638 /nfs/dbraw/zinc/27/86/38/1310278638.db2.gz CBNQKLDQDMBDGC-FQEVSTJZSA-N 0 0 341.407 2.573 10 10 EFCERN O=C1N=C(N2CCOCC2)S/C1=C\c1cc2c(cccc2O)s1 ZINC000901444055 1310491919 /nfs/dbraw/zinc/49/19/19/1310491919.db2.gz TUXMQJDUVNTMGG-ZROIWOOFSA-N 0 0 346.433 2.909 10 10 EFCERN CCOC(=O)CN1C(=O)/C(=C/c2cncn2C(C)C)c2ccccc21 ZINC000901486543 1310558411 /nfs/dbraw/zinc/55/84/11/1310558411.db2.gz LLXZUUUVOADOOE-CXUHLZMHSA-N 0 0 339.395 2.914 10 10 EFCERN CCCCN(Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000801596716 1310574190 /nfs/dbraw/zinc/57/41/90/1310574190.db2.gz LPFOJZIQPCXYCX-UHFFFAOYSA-N 0 0 347.484 2.940 10 10 EFCERN NC(=O)CC1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC001331567596 1314420553 /nfs/dbraw/zinc/42/05/53/1314420553.db2.gz VABUNMUIIGVHQV-UHFFFAOYSA-N 0 0 347.640 2.696 10 10 EFCERN O=C(/C=C/c1cnccn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302261 1311116737 /nfs/dbraw/zinc/11/67/37/1311116737.db2.gz MPRPKJPVHBCVFU-BQYQJAHWSA-N 0 0 342.362 2.838 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@@](F)(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000802015208 1311219421 /nfs/dbraw/zinc/21/94/21/1311219421.db2.gz ZWLSQVMMVJNOQH-IBGZPJMESA-N 0 0 348.393 2.822 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000782607307 1311368305 /nfs/dbraw/zinc/36/83/05/1311368305.db2.gz UMWMMSMBHHHULK-QRWLVFNGSA-N 0 0 342.414 2.730 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cn(-c2ccccc2)nn1 ZINC001159034560 1311438595 /nfs/dbraw/zinc/43/85/95/1311438595.db2.gz XHXALGTZKDLQFR-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN CNC(=O)Oc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001159259961 1311481924 /nfs/dbraw/zinc/48/19/24/1311481924.db2.gz YCJWUFYZZPMXQX-UHFFFAOYSA-N 0 0 341.327 2.820 10 10 EFCERN O=C(N[C@@H]1COc2cc(F)cc(F)c21)N1Cc2cccc(O)c2C1 ZINC001226113371 1311615189 /nfs/dbraw/zinc/61/51/89/1311615189.db2.gz XBHNQJUBYLXMEL-CYBMUJFWSA-N 0 0 332.306 2.829 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001226648059 1311702224 /nfs/dbraw/zinc/70/22/24/1311702224.db2.gz YRQFKADOWFVTHD-UONOGXRCSA-N 0 0 337.464 2.900 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000802778536 1312012533 /nfs/dbraw/zinc/01/25/33/1312012533.db2.gz DXWLJTJIYZKLNE-UHFFFAOYSA-N 0 0 326.352 2.560 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(OC)c(Cl)c2)c1 ZINC000802782576 1312017919 /nfs/dbraw/zinc/01/79/19/1312017919.db2.gz YCNFPEMOHCBLGB-VIFPVBQESA-N 0 0 336.775 2.949 10 10 EFCERN CN1CCCc2cc(CNc3nc(Cl)nc4[nH]c(=O)[nH]c43)ccc21 ZINC001162286270 1312080859 /nfs/dbraw/zinc/08/08/59/1312080859.db2.gz SJCHKUOMUCKJJJ-UHFFFAOYSA-N 0 0 344.806 2.706 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000902874338 1312170808 /nfs/dbraw/zinc/17/08/08/1312170808.db2.gz DWVUTBNQLOJMLT-ZIAGYGMSSA-N 0 0 345.365 2.662 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ccn(C)n3)CC2)cc1 ZINC000902914459 1312207117 /nfs/dbraw/zinc/20/71/17/1312207117.db2.gz IEANJIJODPCISO-UHFFFAOYSA-N 0 0 341.459 2.575 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccnn2C)cc1 ZINC000902925654 1312214212 /nfs/dbraw/zinc/21/42/12/1312214212.db2.gz FLKUSRCJTPCJIC-KRWDZBQOSA-N 0 0 327.432 2.533 10 10 EFCERN CCOc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC001163705170 1312368394 /nfs/dbraw/zinc/36/83/94/1312368394.db2.gz LKSFLPMSCJKLGT-CQSZACIVSA-N 0 0 328.416 2.883 10 10 EFCERN C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000903154285 1312414638 /nfs/dbraw/zinc/41/46/38/1312414638.db2.gz KTALPQFDVDBSRP-LKSINWNRSA-N 0 0 329.437 2.785 10 10 EFCERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(O)ccc1O ZINC001164047019 1312436608 /nfs/dbraw/zinc/43/66/08/1312436608.db2.gz VKJMGSPTNOOHBL-UHFFFAOYSA-N 0 0 332.312 2.713 10 10 EFCERN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903214252 1312469206 /nfs/dbraw/zinc/46/92/06/1312469206.db2.gz TXTGYHOIJQOPJJ-GHMZBOCLSA-N 0 0 330.350 2.930 10 10 EFCERN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903214255 1312469314 /nfs/dbraw/zinc/46/93/14/1312469314.db2.gz TXTGYHOIJQOPJJ-WDEREUQCSA-N 0 0 330.350 2.930 10 10 EFCERN C[S@@](=O)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165497398 1312638275 /nfs/dbraw/zinc/63/82/75/1312638275.db2.gz FGZYPYXTTFAWQY-JOCHJYFZSA-N 0 0 337.828 2.854 10 10 EFCERN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(OC)cc1O ZINC000178848312 1314673149 /nfs/dbraw/zinc/67/31/49/1314673149.db2.gz NMTGTXHNKVLTFU-KRWDZBQOSA-N 0 0 327.380 2.501 10 10 EFCERN CO[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000190395260 1315319566 /nfs/dbraw/zinc/31/95/66/1315319566.db2.gz JYQYXOYDMRRGGA-BBWFWOEESA-N 0 0 348.443 2.650 10 10 EFCERN O=C(NCc1cc(F)cnc1Cl)NCc1c(O)cccc1F ZINC001251375923 1315343900 /nfs/dbraw/zinc/34/39/00/1315343900.db2.gz SOLRUFPQERBUBA-UHFFFAOYSA-N 0 0 327.718 2.718 10 10 EFCERN Cc1cc(CCNC(=O)N[C@H]2COC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001253808779 1315640565 /nfs/dbraw/zinc/64/05/65/1315640565.db2.gz XSYBPBCTVZMDJS-LIRRHRJNSA-N 0 0 341.455 2.971 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001256332393 1315930433 /nfs/dbraw/zinc/93/04/33/1315930433.db2.gz NXCDUWPQYXZJLJ-AWEZNQCLSA-N 0 0 348.349 2.782 10 10 EFCERN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827544896 1315997711 /nfs/dbraw/zinc/99/77/11/1315997711.db2.gz NEOHZSBQRFZAFV-GFCCVEGCSA-N 0 0 346.258 2.887 10 10 EFCERN CS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC001258123164 1316121668 /nfs/dbraw/zinc/12/16/68/1316121668.db2.gz BKIYBFWJUFVLHA-UHFFFAOYSA-N 0 0 349.843 2.827 10 10 EFCERN Cc1ccc(-c2nc(CC(=O)NCc3ccc(O)cc3O)cs2)o1 ZINC001299571536 1316226003 /nfs/dbraw/zinc/22/60/03/1316226003.db2.gz YHJWTKXLUGYVLS-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN O=C(CSc1ccncc1)NCc1ccc2cccnc2c1O ZINC001299721123 1316377878 /nfs/dbraw/zinc/37/78/78/1316377878.db2.gz CFADVCIUTBOODP-UHFFFAOYSA-N 0 0 325.393 2.744 10 10 EFCERN C[C@@](O)(Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001299721878 1316378208 /nfs/dbraw/zinc/37/82/08/1316378208.db2.gz UIIKFMCQAPLNOL-HXUWFJFHSA-N 0 0 336.391 2.550 10 10 EFCERN C=CC(=O)Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299726066 1316381436 /nfs/dbraw/zinc/38/14/36/1316381436.db2.gz QMQMOOBZSRUOAF-UHFFFAOYSA-N 0 0 347.374 2.995 10 10 EFCERN C[C@H]1CC(CNC(=O)C(=O)N(C)Cc2ccccc2O)C[C@H](C)C1 ZINC001261672544 1316424639 /nfs/dbraw/zinc/42/46/39/1316424639.db2.gz WKJHVZKEGGJNOU-ZIAGYGMSSA-N 0 0 332.444 2.539 10 10 EFCERN COc1ccc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001261790333 1316431112 /nfs/dbraw/zinc/43/11/12/1316431112.db2.gz IHWNFLZHELYZOY-CQSZACIVSA-N 0 0 342.443 2.759 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](CC(=O)[O-])C2CCOCC2)cc1 ZINC001262163547 1316450446 /nfs/dbraw/zinc/45/04/46/1316450446.db2.gz XCEZGXRMGMZGRB-JXCVUKRWSA-N 0 0 332.444 2.625 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001263702917 1316556971 /nfs/dbraw/zinc/55/69/71/1316556971.db2.gz BUQORYYGFFLYNV-PKOBYXMFSA-N 0 0 343.471 2.997 10 10 EFCERN CNc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC001263778873 1316560965 /nfs/dbraw/zinc/56/09/65/1316560965.db2.gz TZZNZDJFYGOQCR-UHFFFAOYSA-N 0 0 327.432 2.531 10 10 EFCERN CCCCC(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285352393 1320856489 /nfs/dbraw/zinc/85/64/89/1320856489.db2.gz HFEYTXVREHJQOI-UHFFFAOYSA-N 0 0 347.419 2.570 10 10 EFCERN CC(=O)NCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001290290800 1321895394 /nfs/dbraw/zinc/89/53/94/1321895394.db2.gz MBHNIWPIHNZNTM-UHFFFAOYSA-N 0 0 339.439 2.661 10 10 EFCERN CCc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC001290291260 1321895402 /nfs/dbraw/zinc/89/54/02/1321895402.db2.gz RWLINLOZIAZBIG-UHFFFAOYSA-N 0 0 327.428 2.996 10 10 EFCERN Cc1cc(C(=O)N2NC(=O)C[C@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001290610066 1321936061 /nfs/dbraw/zinc/93/60/61/1321936061.db2.gz PELLXGHVHZQBPW-CQSZACIVSA-N 0 0 325.412 2.977 10 10 EFCERN COC(=O)c1cnc(Sc2cc(F)c([N+](=O)[O-])cc2CO)s1 ZINC001307126201 1322043715 /nfs/dbraw/zinc/04/37/15/1322043715.db2.gz CWPCLNMAHHFVTM-UHFFFAOYSA-N 0 0 344.345 2.621 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)cc1F ZINC001292281633 1322051641 /nfs/dbraw/zinc/05/16/41/1322051641.db2.gz FSNISJLQYMWMGV-UHFFFAOYSA-N 0 0 339.374 2.607 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC001292405314 1322066685 /nfs/dbraw/zinc/06/66/85/1322066685.db2.gz JIHKDHHFLBTNTL-HKUYNNGSSA-N 0 0 345.370 2.816 10 10 EFCERN CCC[C@@H](CC)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001292895225 1322145742 /nfs/dbraw/zinc/14/57/42/1322145742.db2.gz YOTCRIBTLYDHOQ-GFCCVEGCSA-N 0 0 347.419 2.521 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1 ZINC001292966428 1322161999 /nfs/dbraw/zinc/16/19/99/1322161999.db2.gz NXVAIBHTHQAXLD-UHFFFAOYSA-N 0 0 326.360 2.523 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1(O)CCCC1 ZINC001293484817 1322264493 /nfs/dbraw/zinc/26/44/93/1322264493.db2.gz JWGABRNJGOKOJQ-UHFFFAOYSA-N 0 0 340.423 2.942 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC1CCN(c2cccc(F)c2)CC1 ZINC001293690795 1322323569 /nfs/dbraw/zinc/32/35/69/1322323569.db2.gz SKQSZRQPPGYDDL-UHFFFAOYSA-N 0 0 344.386 2.565 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001293710027 1322331829 /nfs/dbraw/zinc/33/18/29/1322331829.db2.gz PQILDAWETFZSPV-LBPRGKRZSA-N 0 0 329.356 2.726 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC001294032207 1322397281 /nfs/dbraw/zinc/39/72/81/1322397281.db2.gz TWXFDKRBXHRAGT-ZDUSSCGKSA-N 0 0 337.379 2.703 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(N)ncnc2c1 ZINC001294681366 1322542439 /nfs/dbraw/zinc/54/24/39/1322542439.db2.gz GPTUVHRUAKQWRF-UHFFFAOYSA-N 0 0 336.395 2.970 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)c1 ZINC001294937035 1322603249 /nfs/dbraw/zinc/60/32/49/1322603249.db2.gz MVGYUYXBLKFACT-LBPRGKRZSA-N 0 0 325.368 2.848 10 10 EFCERN COC(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001294937758 1322603320 /nfs/dbraw/zinc/60/33/20/1322603320.db2.gz RVZYCUMVBRIKOT-LLVKDONJSA-N 0 0 329.352 2.678 10 10 EFCERN Cc1noc(C)c1/C=C1\OCCn2c(C=O)c(Br)nc21 ZINC000901576513 1322645593 /nfs/dbraw/zinc/64/55/93/1322645593.db2.gz AJGUZESAHLTPTN-WZUFQYTHSA-N 0 0 338.161 2.591 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(F)c(F)c1 ZINC001296246744 1322873225 /nfs/dbraw/zinc/87/32/25/1322873225.db2.gz OQGBCYSLHVECIK-SNVBAGLBSA-N 0 0 337.322 2.502 10 10 EFCERN COC(=O)Nc1cc(C(=O)NCc2ccc(OC)cc2O)ccc1F ZINC001296968183 1323067129 /nfs/dbraw/zinc/06/71/29/1323067129.db2.gz LHQPXOIMNNFMEE-UHFFFAOYSA-N 0 0 348.330 2.648 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](CC)OC ZINC001297061577 1323079625 /nfs/dbraw/zinc/07/96/25/1323079625.db2.gz PWIOZWBJGMZFKN-OAHLLOKOSA-N 0 0 348.447 2.582 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc2ccc(Cl)nc2s1 ZINC001297218945 1323126576 /nfs/dbraw/zinc/12/65/76/1323126576.db2.gz ZNXANYOZJCWZEM-UHFFFAOYSA-N 0 0 335.772 2.937 10 10 EFCERN CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297388225 1323197293 /nfs/dbraw/zinc/19/72/93/1323197293.db2.gz HAJKYPOVQMDTAP-KRWDZBQOSA-N 0 0 332.404 2.862 10 10 EFCERN O=C(NCc1cccc(Br)c1O)c1cccc(O)c1F ZINC001297438768 1323217563 /nfs/dbraw/zinc/21/75/63/1323217563.db2.gz CQDHMYBVEDDBAL-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCC(F)(F)F ZINC001297562366 1323273060 /nfs/dbraw/zinc/27/30/60/1323273060.db2.gz JAMOIERPRDODQB-UHFFFAOYSA-N 0 0 328.352 2.790 10 10 EFCERN C[C@@]12CCN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]1C2(Cl)Cl ZINC001297774368 1323343327 /nfs/dbraw/zinc/34/33/27/1323343327.db2.gz CUMXBBKAEYJTLD-GXTWGEPZSA-N 0 0 330.211 2.683 10 10 EFCERN Cc1ncc(Br)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001298276413 1323481591 /nfs/dbraw/zinc/48/15/91/1323481591.db2.gz CLSVTQDANDSNBD-UHFFFAOYSA-N 0 0 337.173 2.745 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc(CC(F)(F)F)cs1 ZINC001298564186 1323566299 /nfs/dbraw/zinc/56/62/99/1323566299.db2.gz IXNVIAYQIMPOOK-UHFFFAOYSA-N 0 0 332.303 2.840 10 10 EFCERN CCCC[C@H](O)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001299769590 1323706202 /nfs/dbraw/zinc/70/62/02/1323706202.db2.gz SGTJITNOIIWFLV-AEFFLSMTSA-N 0 0 348.487 2.969 10 10 EFCERN COC(=O)N(C)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001300904812 1324514494 /nfs/dbraw/zinc/51/44/94/1324514494.db2.gz FEULLDXSRSDZOR-UHFFFAOYSA-N 0 0 343.427 2.831 10 10 EFCERN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1O ZINC001302530347 1324579520 /nfs/dbraw/zinc/57/95/20/1324579520.db2.gz MDECOUPZCRKOBF-SNVBAGLBSA-N 0 0 328.393 2.927 10 10 EFCERN CC(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccccc1O ZINC001302538145 1324580035 /nfs/dbraw/zinc/58/00/35/1324580035.db2.gz IILRFVSDBOJTMY-SAIXKJTDSA-N 0 0 330.409 2.808 10 10 EFCERN C[C@H](NC(=O)c1nccnc1NC(=O)C(C)(C)C)c1ccccc1O ZINC001302538028 1324580072 /nfs/dbraw/zinc/58/00/72/1324580072.db2.gz DMNJXSFXMVMZSZ-NSHDSACASA-N 0 0 342.399 2.658 10 10 EFCERN Cc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1cccc(C)c1 ZINC001303223509 1324598097 /nfs/dbraw/zinc/59/80/97/1324598097.db2.gz SGGGGWFFFNAPIC-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000749902387 1324671292 /nfs/dbraw/zinc/67/12/92/1324671292.db2.gz QRZNLOKHKJIRES-QWZUFBECSA-N 0 0 346.383 2.644 10 10 EFCERN O=C(CCc1nc2cccnc2[nH]1)NCc1cccc(Cl)c1O ZINC001305069772 1324671470 /nfs/dbraw/zinc/67/14/70/1324671470.db2.gz OFHIDFVCGYSUST-UHFFFAOYSA-N 0 0 330.775 2.566 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305070012 1324671960 /nfs/dbraw/zinc/67/19/60/1324671960.db2.gz WUJZPHAWGFIHKZ-CYBMUJFWSA-N 0 0 344.798 2.715 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccnc(-c2ccccn2)n1 ZINC001305084410 1324672949 /nfs/dbraw/zinc/67/29/49/1324672949.db2.gz IVXZSKDNZOPNED-UHFFFAOYSA-N 0 0 340.770 2.828 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000750049966 1324675474 /nfs/dbraw/zinc/67/54/74/1324675474.db2.gz RPTITSRCCLSTLK-VUDGCMKMSA-N 0 0 344.327 2.506 10 10 EFCERN CCC(C)(C)C(=O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000900293823 1324676500 /nfs/dbraw/zinc/67/65/00/1324676500.db2.gz PDSSHTQBNJZQKL-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN Cc1ccc2c(CCNC(=O)c3c(F)ccc(O)c3O)c[nH]c2c1 ZINC001306829654 1324723212 /nfs/dbraw/zinc/72/32/12/1324723212.db2.gz YXYNRRZWZQAIPW-UHFFFAOYSA-N 0 0 328.343 2.999 10 10 EFCERN CCCCCN(CCO)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001306989835 1324736706 /nfs/dbraw/zinc/73/67/06/1324736706.db2.gz HNZUZMAKKPKCRO-CLFYSBASSA-N 0 0 336.388 2.770 10 10 EFCERN CCOC(=O)c1ccnc(NCc2c(O)cccc2F)c1[N+](=O)[O-] ZINC001307214413 1324752095 /nfs/dbraw/zinc/75/20/95/1324752095.db2.gz DFZBJBGLAQCHTE-UHFFFAOYSA-N 0 0 335.291 2.623 10 10 EFCERN CCOc1ccc(N(CC)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC001307565718 1324772208 /nfs/dbraw/zinc/77/22/08/1324772208.db2.gz GCDMIQKTJZGIGK-HNNXBMFYSA-N 0 0 334.460 2.938 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903271183 1324829584 /nfs/dbraw/zinc/82/95/84/1324829584.db2.gz KHCHXLUIMAAJHH-CQDKDKBSSA-N 0 0 337.445 2.531 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903271184 1324829937 /nfs/dbraw/zinc/82/99/37/1324829937.db2.gz KHCHXLUIMAAJHH-GLQYFDAESA-N 0 0 337.445 2.531 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903271185 1324830569 /nfs/dbraw/zinc/83/05/69/1324830569.db2.gz KHCHXLUIMAAJHH-NILFDRSVSA-N 0 0 337.445 2.531 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+]CCc2cccc(C(=O)[O-])n2)cc1 ZINC000904016008 1324860059 /nfs/dbraw/zinc/86/00/59/1324860059.db2.gz ASVRDXQKMRCMLT-SNAWJCMRSA-N 0 0 325.412 2.691 10 10 EFCERN CO[C@H](C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-])C1CC1 ZINC000904023853 1324860862 /nfs/dbraw/zinc/86/08/62/1324860862.db2.gz KYFUVKLRBXQELQ-WYIDIVSCSA-N 0 0 332.444 2.624 10 10 EFCERN COC1(C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])CCC1 ZINC000904020188 1324861000 /nfs/dbraw/zinc/86/10/00/1324861000.db2.gz FGWSXGBPFSTDSJ-XQDHMALISA-N 0 0 332.444 2.768 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCn2ccnc21 ZINC001312742270 1324993488 /nfs/dbraw/zinc/99/34/88/1324993488.db2.gz WAEZUCUIPTYXMS-QGZVFWFLSA-N 0 0 339.443 2.770 10 10 EFCERN CCC[C@H](O)CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001312885515 1324998784 /nfs/dbraw/zinc/99/87/84/1324998784.db2.gz QGCORDNVHMNJQY-QAPCUYQASA-N 0 0 335.492 2.842 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2ccnc(-c3ccccn3)n2)c1 ZINC001313216058 1325008847 /nfs/dbraw/zinc/00/88/47/1325008847.db2.gz KGMTZZQSZJAWBL-UHFFFAOYSA-N 0 0 349.394 2.552 10 10 EFCERN CCOCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001314475548 1325037361 /nfs/dbraw/zinc/03/73/61/1325037361.db2.gz QMJUZIQWSBTCDS-UHFFFAOYSA-N 0 0 345.491 2.872 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(C)CCC1 ZINC001323173553 1329520248 /nfs/dbraw/zinc/52/02/48/1329520248.db2.gz DZSVMQJRWABLCH-UHFFFAOYSA-N 0 0 345.487 2.796 10 10 EFCERN COCCc1cc(NC(=O)c2ccc(C3=S=CC=C3)s2)n(C)n1 ZINC001325202785 1329675097 /nfs/dbraw/zinc/67/50/97/1329675097.db2.gz JFLZMGAOCDOXOV-UHFFFAOYSA-N 0 0 347.465 2.549 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCCC1(C)C ZINC001326019534 1329730104 /nfs/dbraw/zinc/73/01/04/1329730104.db2.gz LDKZSSQYNAIKQH-OAHLLOKOSA-N 0 0 345.487 2.509 10 10 EFCERN C[C@H]1CCn2ncc(C(=O)Nc3c4nonc4ccc3Cl)c2C1 ZINC001327133290 1330426560 /nfs/dbraw/zinc/42/65/60/1330426560.db2.gz DQQCGQDRQNJWBD-QMMMGPOBSA-N 0 0 331.763 2.907 10 10 EFCERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001328068326 1330549601 /nfs/dbraw/zinc/54/96/01/1330549601.db2.gz AZSOULBXUGCOEG-CQSZACIVSA-N 0 0 333.476 2.618 10 10 EFCERN C[C@H](NC(=O)C(=O)NCC1CCC(F)CC1)c1ccc(N(C)C)cc1 ZINC001328300856 1330583331 /nfs/dbraw/zinc/58/33/31/1330583331.db2.gz IZCDJECANLYYAJ-HLIUYOAVSA-N 0 0 349.450 2.574 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC12CC2 ZINC001328865378 1330641737 /nfs/dbraw/zinc/64/17/37/1330641737.db2.gz KAZWMWRWCFELRQ-INIZCTEOSA-N 0 0 344.455 2.827 10 10 EFCERN O=C(C(=O)N1CCC[C@H]1c1cccs1)N1Cc2cccc(O)c2C1 ZINC001329330201 1330695070 /nfs/dbraw/zinc/69/50/70/1330695070.db2.gz CHJVJHMRAPVQSM-AWEZNQCLSA-N 0 0 342.420 2.660 10 10 EFCERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329392263 1330702021 /nfs/dbraw/zinc/70/20/21/1330702021.db2.gz BYAOZSHWCXBCNT-UHFFFAOYSA-N 0 0 338.407 2.672 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)CCC(F)(F)F)C2)cc1 ZINC001329877775 1330745604 /nfs/dbraw/zinc/74/56/04/1330745604.db2.gz IVEVUFIGVMAKRJ-LBPRGKRZSA-N 0 0 345.365 2.868 10 10 EFCERN CN(Cc1cn(C)nc1Cl)Cc1ccc(N2CCOCC2)cc1 ZINC001331343333 1330825075 /nfs/dbraw/zinc/82/50/75/1330825075.db2.gz GGEGZOIWIBASJC-UHFFFAOYSA-N 0 0 334.851 2.542 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](O)C3(CC3)C2)c1 ZINC001331538027 1330849654 /nfs/dbraw/zinc/84/96/54/1330849654.db2.gz FCJNRXZZCGMUDY-SFHVURJKSA-N 0 0 338.407 2.504 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@]23CCOC3)c1 ZINC001331643572 1330862974 /nfs/dbraw/zinc/86/29/74/1330862974.db2.gz VYJDLBRGOGBJBA-FQEVSTJZSA-N 0 0 338.407 2.912 10 10 EFCERN Cc1cc(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(C)n1-c1ccccn1 ZINC001332185520 1330936455 /nfs/dbraw/zinc/93/64/55/1330936455.db2.gz AZZHXMDXOUIASF-LVGQOLGVSA-N 0 0 337.423 2.642 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2nc(C(C)C)ns2)cc1 ZINC001333311217 1331113865 /nfs/dbraw/zinc/11/38/65/1331113865.db2.gz GDJZGEGFNYZLAG-UHFFFAOYSA-N 0 0 335.429 2.850 10 10 EFCERN O=C([O-])CC1CC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001334069717 1331244601 /nfs/dbraw/zinc/24/46/01/1331244601.db2.gz DFBFWLSGWRLERD-UHFFFAOYSA-N 0 0 347.415 2.928 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cc(C)cnc3F)CC2)cc1 ZINC001335528819 1331367981 /nfs/dbraw/zinc/36/79/81/1331367981.db2.gz IXMLTELLUXTEHG-UHFFFAOYSA-N 0 0 343.402 2.890 10 10 EFCERN COC(=O)c1c(CN2CCCOC[C@@H]2C)c2cc(F)ccc2n1C ZINC001338234668 1331676072 /nfs/dbraw/zinc/67/60/72/1331676072.db2.gz MBIMDNSCVRHXHY-LBPRGKRZSA-N 0 0 334.391 2.715 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccn2ccccc12 ZINC001338308107 1331689578 /nfs/dbraw/zinc/68/95/78/1331689578.db2.gz ILXUDMKGFTTXJY-UHFFFAOYSA-N 0 0 335.407 2.706 10 10 EFCERN C[C@@H]1CCc2nc(/C=C3\SC(N4CCOCC4)=NC3=O)sc2C1 ZINC001341419062 1332258599 /nfs/dbraw/zinc/25/85/99/1332258599.db2.gz DMCZUCAVLLKTDG-PEHNMLCRSA-N 0 0 349.481 2.570 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)Nc3ccc[n+]([O-])c3)cc2)CC1 ZINC001344820381 1332485324 /nfs/dbraw/zinc/48/53/24/1332485324.db2.gz PROABSRXLRSPBC-UHFFFAOYSA-N 0 0 340.427 2.878 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001345507555 1332544008 /nfs/dbraw/zinc/54/40/08/1332544008.db2.gz OAANBFWWAGKREI-MSOLQXFVSA-N 0 0 331.460 2.996 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC=C(Cl)Cl)C2)cc1 ZINC001345909781 1332583294 /nfs/dbraw/zinc/58/32/94/1332583294.db2.gz RRMQWNKAVFSGKK-LLVKDONJSA-N 0 0 344.242 2.892 10 10 EFCERN COC[C@H](NC(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1 ZINC001346274535 1332620754 /nfs/dbraw/zinc/62/07/54/1332620754.db2.gz WUZWJRBNSJHWPZ-HNNXBMFYSA-N 0 0 348.374 2.727 10 10 EFCERN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC001346578518 1332657822 /nfs/dbraw/zinc/65/78/22/1332657822.db2.gz ZLYHTEFGILQKMD-MRXNPFEDSA-N 0 0 344.386 2.757 10 10 EFCERN Cc1nn(C2CCOCC2)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001347223772 1332725344 /nfs/dbraw/zinc/72/53/44/1332725344.db2.gz YMCMPXHWAPODMG-HYXAFXHYSA-N 0 0 343.383 2.606 10 10 EFCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1cccc(O)c1O ZINC001347234573 1332726243 /nfs/dbraw/zinc/72/62/43/1332726243.db2.gz PFBXMCYWKWQIRS-NSHDSACASA-N 0 0 335.791 2.653 10 10 EFCERN O=C(c1ccn(CCC(F)(F)F)n1)N1Cc2cccc(O)c2C1 ZINC001347385094 1332739570 /nfs/dbraw/zinc/73/95/70/1332739570.db2.gz KOPCPTAOKANGRT-UHFFFAOYSA-N 0 0 325.290 2.697 10 10 EFCERN CCN(CC)c1nnc(C2SC=CC2=O)n1Cc1cc(C)on1 ZINC001347474332 1332748683 /nfs/dbraw/zinc/74/86/83/1332748683.db2.gz RHWUBLWRANQKSO-UHFFFAOYSA-N 0 0 333.417 2.903 10 10 EFCERN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc(C(F)(F)F)no1 ZINC001347618551 1332760586 /nfs/dbraw/zinc/76/05/86/1332760586.db2.gz AXVDTXSYQAKWTF-SSDOTTSWSA-N 0 0 342.277 2.580 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCNc3ccccc3)C2)cc1 ZINC001347818191 1332775395 /nfs/dbraw/zinc/77/53/95/1332775395.db2.gz QXWBMHXWENPDNZ-QGZVFWFLSA-N 0 0 339.439 2.892 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C(C)C)[nH]3)C2)cc1 ZINC001347819207 1332775425 /nfs/dbraw/zinc/77/54/25/1332775425.db2.gz UWWSFBXTIVSZOY-ZDUSSCGKSA-N 0 0 328.416 2.550 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnoc3C(C)C)C2)cc1 ZINC001347822644 1332775477 /nfs/dbraw/zinc/77/54/77/1332775477.db2.gz VPQDKBCXXJKYFW-CYBMUJFWSA-N 0 0 329.400 2.815 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(CO)cc2)cc1 ZINC001347816518 1332775553 /nfs/dbraw/zinc/77/55/53/1332775553.db2.gz MUJOLYFMQBCHJK-UHFFFAOYSA-N 0 0 343.427 2.788 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC001348563529 1332849186 /nfs/dbraw/zinc/84/91/86/1332849186.db2.gz RTYDSCSBYVYGHH-RLFYNMQTSA-N 0 0 332.444 2.547 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC001348686175 1332859711 /nfs/dbraw/zinc/85/97/11/1332859711.db2.gz SPYXMWRQYNTEIV-INIZCTEOSA-N 0 0 344.455 2.779 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(O)cc3C)C2)cc1 ZINC001348863270 1332877702 /nfs/dbraw/zinc/87/77/02/1332877702.db2.gz IJIDLTSNMHIPOZ-INIZCTEOSA-N 0 0 340.423 2.647 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cccc(O)c1O)C1CCCC1 ZINC001350300525 1333061072 /nfs/dbraw/zinc/06/10/72/1333061072.db2.gz SFZZEAJNVSWGIY-OAHLLOKOSA-N 0 0 349.427 2.862 10 10 EFCERN CC(C)(C)OC(=O)[C@H](C(=O)NCc1cccc(O)c1O)C1CCCC1 ZINC001350300524 1333061204 /nfs/dbraw/zinc/06/12/04/1333061204.db2.gz SFZZEAJNVSWGIY-HNNXBMFYSA-N 0 0 349.427 2.862 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC3CC2(C)C3)cc1 ZINC001350456890 1333084417 /nfs/dbraw/zinc/08/44/17/1333084417.db2.gz ZWCAHHLVXTWMFG-UHFFFAOYSA-N 0 0 343.471 2.502 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@]2(CO)c2ccccc2)c(O)c1O ZINC001350992857 1333163783 /nfs/dbraw/zinc/16/37/83/1333163783.db2.gz SGGQBIWURQOSMW-IBGZPJMESA-N 0 0 327.380 2.530 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCCN1Cc1cccnc1 ZINC001351000708 1333165463 /nfs/dbraw/zinc/16/54/63/1333165463.db2.gz ZLOCGGKUHKOSTI-KRWDZBQOSA-N 0 0 343.402 2.597 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nccc(Cl)c3F)C2)cc1 ZINC001351058052 1333173777 /nfs/dbraw/zinc/17/37/77/1333173777.db2.gz LHPYLPRADRSVKH-LLVKDONJSA-N 0 0 349.793 2.891 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC001351164321 1333188712 /nfs/dbraw/zinc/18/87/12/1333188712.db2.gz WIRIDFYKQCQQHR-UHFFFAOYSA-N 0 0 342.399 2.806 10 10 EFCERN CCCN1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001351673158 1333266998 /nfs/dbraw/zinc/26/69/98/1333266998.db2.gz IZNYIMAGLXEHMK-KRWDZBQOSA-N 0 0 343.471 2.504 10 10 EFCERN COc1cnc(F)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000847076519 1333312291 /nfs/dbraw/zinc/31/22/91/1333312291.db2.gz AAYQPYKWXLSIDR-ZDUSSCGKSA-N 0 0 345.418 2.965 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(Cl)ccnc3F)C2)cc1 ZINC001352422889 1333527873 /nfs/dbraw/zinc/52/78/73/1333527873.db2.gz FIVNFISLHQQKFE-LLVKDONJSA-N 0 0 349.793 2.891 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000847317026 1333536512 /nfs/dbraw/zinc/53/65/12/1333536512.db2.gz OGZYTHSJPMGFKN-SJORKVTESA-N 0 0 334.416 2.548 10 10 EFCERN CCOC(=O)c1sc(NC(=O)c2ccc(C)c(O)c2O)nc1C ZINC001300032459 1333555205 /nfs/dbraw/zinc/55/52/05/1333555205.db2.gz LHNIMOFELJOLBQ-UHFFFAOYSA-N 0 0 336.369 2.600 10 10 EFCERN COCC1(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000847386011 1333641065 /nfs/dbraw/zinc/64/10/65/1333641065.db2.gz PHTYQITXDLFJLZ-OAHLLOKOSA-N 0 0 333.476 2.718 10 10 EFCERN CN(C(=O)/C=C/c1cn(C)cn1)c1cccc(OC(F)(F)F)c1 ZINC001352646685 1333650040 /nfs/dbraw/zinc/65/00/40/1333650040.db2.gz ZWVDJTJWFRWAHE-VOTSOKGWSA-N 0 0 325.290 2.995 10 10 EFCERN COc1ccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000847394304 1333653848 /nfs/dbraw/zinc/65/38/48/1333653848.db2.gz MEVHKNPMFMRNBO-DLBZAZTESA-N 0 0 334.416 2.548 10 10 EFCERN C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000847411818 1333675898 /nfs/dbraw/zinc/67/58/98/1333675898.db2.gz IHAABASNRDZJSS-WVSHTKLVSA-N 0 0 346.258 2.838 10 10 EFCERN COc1ccc(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000847451677 1333739356 /nfs/dbraw/zinc/73/93/56/1333739356.db2.gz MBSHYMOGAXBYJD-HNNXBMFYSA-N 0 0 334.416 2.692 10 10 EFCERN Cc1ccc(C(=O)N2CC(O)(c3cccc4ccccc43)C2)c(O)c1O ZINC001300128381 1333762113 /nfs/dbraw/zinc/76/21/13/1333762113.db2.gz IIZFXZIMCRTKDJ-UHFFFAOYSA-N 0 0 349.386 2.903 10 10 EFCERN c1ccc(-n2nnnc2CNCc2ccc(N3CCCC3)cc2)cc1 ZINC001200185390 1333829103 /nfs/dbraw/zinc/82/91/03/1333829103.db2.gz OLUSBYSDANXPTD-UHFFFAOYSA-N 0 0 334.427 2.552 10 10 EFCERN COc1cccc(CNC(=O)CCCCC(=O)OC(C)(C)C)c1O ZINC000847588844 1333958689 /nfs/dbraw/zinc/95/86/89/1333958689.db2.gz CPYQWZNXAROOBP-UHFFFAOYSA-N 0 0 337.416 2.919 10 10 EFCERN Cc1cc(C(=O)N2C3CCC2(CO)CC3)c(C)n1-c1ccccn1 ZINC001354280215 1334210472 /nfs/dbraw/zinc/21/04/72/1334210472.db2.gz DIIRKWDAQJISEM-UHFFFAOYSA-N 0 0 325.412 2.619 10 10 EFCERN CC1=NO[C@](C)(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001354578307 1334386765 /nfs/dbraw/zinc/38/67/65/1334386765.db2.gz WATXNXVVEKMWNM-FQEVSTJZSA-N 0 0 348.358 2.955 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCn2nncc2C1 ZINC000848269644 1334547889 /nfs/dbraw/zinc/54/78/89/1334547889.db2.gz HDRGUHAGBICSAN-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN C/C(=C/C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1)c1cnccn1 ZINC001354919118 1334593263 /nfs/dbraw/zinc/59/32/63/1334593263.db2.gz NROSKCUEESPKEO-LCYFTJDESA-N 0 0 337.358 2.976 10 10 EFCERN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848559795 1334795442 /nfs/dbraw/zinc/79/54/42/1334795442.db2.gz ZVPVMLAYISORER-NDBYEHHHSA-N 0 0 328.403 2.819 10 10 EFCERN CN(C)c1ccc(C=CCNCc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848562063 1334796202 /nfs/dbraw/zinc/79/62/02/1334796202.db2.gz GQSTZGACPBKDOZ-WMHVBEDNSA-N 0 0 327.432 2.525 10 10 EFCERN COc1ccc(N2CCN(c3c(OC)cccc3[N+](=O)[O-])CC2)cc1 ZINC000848640529 1334821289 /nfs/dbraw/zinc/82/12/89/1334821289.db2.gz PCVYEKLUFBEFEG-UHFFFAOYSA-N 0 0 343.383 2.939 10 10 EFCERN COc1c(C)ncnc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000848648902 1334824981 /nfs/dbraw/zinc/82/49/81/1334824981.db2.gz SOTRKTGYVRBJHN-UHFFFAOYSA-N 0 0 342.443 2.614 10 10 EFCERN Cn1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cnc1Cl ZINC000848875979 1334954791 /nfs/dbraw/zinc/95/47/91/1334954791.db2.gz DQIMYPNAIKONRM-HNNXBMFYSA-N 0 0 335.835 2.960 10 10 EFCERN CCc1cccc(CN2CCS(=O)(=O)C(CC)(CC)C2)c1O ZINC000848903795 1334974823 /nfs/dbraw/zinc/97/48/23/1334974823.db2.gz DONGFNMQPIWGDE-UHFFFAOYSA-N 0 0 325.474 2.744 10 10 EFCERN COc1cc(O)c(CN[C@H](C)C(=O)OCc2ccccc2)cc1OC ZINC000848921274 1334987335 /nfs/dbraw/zinc/98/73/35/1334987335.db2.gz QSYOGJLRFNDKQL-CYBMUJFWSA-N 0 0 345.395 2.631 10 10 EFCERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1cc(F)ccc1O ZINC000848928544 1334993180 /nfs/dbraw/zinc/99/31/80/1334993180.db2.gz GWUMLFYZXQWZHZ-INIZCTEOSA-N 0 0 346.402 2.969 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc2c1ncn2C ZINC001356268423 1335005919 /nfs/dbraw/zinc/00/59/19/1335005919.db2.gz YZTHIJWWTZIXQP-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC001357191138 1335290131 /nfs/dbraw/zinc/29/01/31/1335290131.db2.gz AYJMIRCGNTUVOT-RMKNXTFCSA-N 0 0 346.358 2.601 10 10 EFCERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC(C)(C)C ZINC001358440342 1335378544 /nfs/dbraw/zinc/37/85/44/1335378544.db2.gz LCAFSZCRACZXQA-NSHDSACASA-N 0 0 347.419 2.520 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2nccnc2cc1F ZINC000935945557 1335464291 /nfs/dbraw/zinc/46/42/91/1335464291.db2.gz BYZILTSHRSUWAV-UHFFFAOYSA-N 0 0 346.358 2.890 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000935946445 1335464655 /nfs/dbraw/zinc/46/46/55/1335464655.db2.gz HNQICKSGNXGMEW-MRXNPFEDSA-N 0 0 346.379 2.796 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=S)NCc3cccs3)C2)cc1 ZINC000849270445 1335584804 /nfs/dbraw/zinc/58/48/04/1335584804.db2.gz DGOZZMIWLFKEQZ-ZDUSSCGKSA-N 0 0 347.509 3.000 10 10 EFCERN CC1CCN(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2)CC1 ZINC000849353652 1335597138 /nfs/dbraw/zinc/59/71/38/1335597138.db2.gz HHNWESCGPIKRDG-UHFFFAOYSA-N 0 0 339.439 2.850 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@](C)(CCF)C1=O ZINC000849356848 1335597581 /nfs/dbraw/zinc/59/75/81/1335597581.db2.gz KFCWEGYNLZAYLL-SCLBCKFNSA-N 0 0 335.423 2.662 10 10 EFCERN COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CC(C)(C)C)C3=O)C2)cc1 ZINC000849356580 1335597712 /nfs/dbraw/zinc/59/77/12/1335597712.db2.gz FMHQUPZIEULURN-GDBMZVCRSA-N 0 0 345.443 2.631 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@](C)(CCF)C1=O ZINC000849356846 1335597741 /nfs/dbraw/zinc/59/77/41/1335597741.db2.gz KFCWEGYNLZAYLL-ACJLOTCBSA-N 0 0 335.423 2.662 10 10 EFCERN COc1ccc(N2CC[C@@H](N3C(=O)NC4(CCCCC4)C3=O)C2)cc1 ZINC000849358472 1335597908 /nfs/dbraw/zinc/59/79/08/1335597908.db2.gz WONIMJHPKBJIHX-OAHLLOKOSA-N 0 0 343.427 2.529 10 10 EFCERN CC[C@H](C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358103 1335598073 /nfs/dbraw/zinc/59/80/73/1335598073.db2.gz SKOCKJHPMIVFOL-LXZKKBNFSA-N 0 0 345.443 2.631 10 10 EFCERN CCC(CC)CS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416217 1335610767 /nfs/dbraw/zinc/61/07/67/1335610767.db2.gz MMQRMBGRHFFTFE-HNNXBMFYSA-N 0 0 340.489 2.630 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H](COC)OC)ccc21 ZINC000849723722 1335717866 /nfs/dbraw/zinc/71/78/66/1335717866.db2.gz BYMHSPHANRWJON-INIZCTEOSA-N 0 0 349.427 2.723 10 10 EFCERN Cc1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492792442 1353636912 /nfs/dbraw/zinc/63/69/12/1353636912.db2.gz XWBIJGNKPFJZCJ-CHWSQXEVSA-N 0 0 331.439 2.932 10 10 EFCERN Cc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492792441 1353636965 /nfs/dbraw/zinc/63/69/65/1353636965.db2.gz XWBIJGNKPFJZCJ-BETUJISGSA-N 0 0 331.439 2.932 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCCCC2)nc1 ZINC001440304805 1389517616 /nfs/dbraw/zinc/51/76/16/1389517616.db2.gz GWXKOEXNCBIBFZ-UHFFFAOYSA-N 0 0 327.384 2.664 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)[C@@H](C)C3)CC2)cc1 ZINC001545931426 1389608267 /nfs/dbraw/zinc/60/82/67/1389608267.db2.gz IISHJWWGOIBRFK-HOTGVXAUSA-N 0 0 344.455 2.739 10 10 EFCERN CN(C)c1ccc(CNC(=O)C(=O)c2c[nH]c3cc(F)ccc23)cc1 ZINC001440643272 1389793530 /nfs/dbraw/zinc/79/35/30/1389793530.db2.gz CPTNCBWEBIMIQU-UHFFFAOYSA-N 0 0 339.370 2.872 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C=O)cn1C ZINC001440716549 1389833401 /nfs/dbraw/zinc/83/34/01/1389833401.db2.gz XQALOXHJLWLJNO-UHFFFAOYSA-N 0 0 325.412 2.710 10 10 EFCERN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC001440867011 1389966563 /nfs/dbraw/zinc/96/65/63/1389966563.db2.gz LYDGKSQTINOFOQ-UHFFFAOYSA-N 0 0 328.368 2.736 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001451959403 1392856697 /nfs/dbraw/zinc/85/66/97/1392856697.db2.gz YCATWXOGNUMSQC-INIZCTEOSA-N 0 0 338.338 2.699 10 10 EFCERN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1O ZINC001454820531 1394267458 /nfs/dbraw/zinc/26/74/58/1394267458.db2.gz RUPDDSBADMPYPI-VIFPVBQESA-N 0 0 330.296 2.520 10 10 EFCERN C[C@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC001454825047 1394274528 /nfs/dbraw/zinc/27/45/28/1394274528.db2.gz PQDKBSLRFISOQV-CRALRDPISA-N 0 0 338.363 2.614 10 10 EFCERN CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871754 1394331165 /nfs/dbraw/zinc/33/11/65/1394331165.db2.gz BRWGBQHOAVLMEZ-MRXNPFEDSA-N 0 0 337.383 2.766 10 10 EFCERN O=C(CCOC[C@@H]1CCCO1)NCc1c(O)ccc2ccccc21 ZINC001456308839 1394664256 /nfs/dbraw/zinc/66/42/56/1394664256.db2.gz GMAPLYBOLOXWKV-HNNXBMFYSA-N 0 0 329.396 2.747 10 10 EFCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cnn(C)c1 ZINC001456673389 1394758387 /nfs/dbraw/zinc/75/83/87/1394758387.db2.gz RZCKVHLPDWPCDJ-CQSZACIVSA-N 0 0 328.376 2.710 10 10 EFCERN C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(Cl)c1O ZINC001457037208 1394934605 /nfs/dbraw/zinc/93/46/05/1394934605.db2.gz JYOFBTUVRSVXPK-UHFFFAOYSA-N 0 0 342.782 2.789 10 10 EFCERN O=C(NCc1cccc(OC(F)(F)F)c1)c1cccc(O)c1O ZINC001457197807 1395027549 /nfs/dbraw/zinc/02/75/49/1395027549.db2.gz GNLJCDAFKKWWKE-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001457385205 1395092671 /nfs/dbraw/zinc/09/26/71/1395092671.db2.gz KUVCKDJNKUBOOO-IPMKNSEASA-N 0 0 338.407 2.956 10 10 EFCERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1c(F)ccc(O)c1O ZINC001457720248 1395302576 /nfs/dbraw/zinc/30/25/76/1395302576.db2.gz KEYSOMIJUVOGAE-UHFFFAOYSA-N 0 0 329.249 2.926 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC(Oc3ccccc3)C2)cc1OC ZINC001458165388 1395418861 /nfs/dbraw/zinc/41/88/61/1395418861.db2.gz ICPIODUVHKATEB-UHFFFAOYSA-N 0 0 330.340 2.880 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001458310239 1395443554 /nfs/dbraw/zinc/44/35/54/1395443554.db2.gz MPZNOFIBXMWMDQ-VIFPVBQESA-N 0 0 336.319 2.681 10 10 EFCERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1ccc(C)cc1 ZINC001459214110 1395757097 /nfs/dbraw/zinc/75/70/97/1395757097.db2.gz VNHMDYPSNRCJLX-UHFFFAOYSA-N 0 0 339.355 2.785 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCCC[C@H]1O ZINC001459689746 1395976619 /nfs/dbraw/zinc/97/66/19/1395976619.db2.gz XXSCMZBTPJLNKM-IUODEOHRSA-N 0 0 341.835 2.572 10 10 EFCERN Cc1cc(CC(=O)Nc2ccn(C)c(=O)c2)c(C)n1-c1ccccc1 ZINC001460152175 1396007421 /nfs/dbraw/zinc/00/74/21/1396007421.db2.gz JIQVLTOOWJOSNI-UHFFFAOYSA-N 0 0 335.407 2.974 10 10 EFCERN Cc1cc(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)[nH]n1 ZINC001463810371 1396522909 /nfs/dbraw/zinc/52/29/09/1396522909.db2.gz ROOLDTFZBJKGSS-UHFFFAOYSA-N 0 0 326.444 2.910 10 10 EFCERN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc(=O)[nH]1 ZINC001463815123 1396523379 /nfs/dbraw/zinc/52/33/79/1396523379.db2.gz XROVNKQQPUDDSV-UHFFFAOYSA-N 0 0 325.412 2.968 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Oc2cnccn2)c1 ZINC001464093576 1396546473 /nfs/dbraw/zinc/54/64/73/1396546473.db2.gz HWODCYZQXQRKKI-UHFFFAOYSA-N 0 0 337.335 2.861 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)c1ncc(Cl)cn1 ZINC001464259713 1396561046 /nfs/dbraw/zinc/56/10/46/1396561046.db2.gz KGMWCUBNYVGPSQ-UHFFFAOYSA-N 0 0 348.859 2.613 10 10 EFCERN CCNC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001464267214 1396562080 /nfs/dbraw/zinc/56/20/80/1396562080.db2.gz FXMVXYPELBHNAJ-UHFFFAOYSA-N 0 0 339.355 2.851 10 10 EFCERN CCOC(=O)c1cccc(N(CC)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001464365462 1396568469 /nfs/dbraw/zinc/56/84/69/1396568469.db2.gz RHXZZJRPUNWEQK-UHFFFAOYSA-N 0 0 343.379 2.870 10 10 EFCERN CCOC(=O)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001464517381 1396582909 /nfs/dbraw/zinc/58/29/09/1396582909.db2.gz BWOBYXCEPZTTTN-KRWDZBQOSA-N 0 0 332.444 2.521 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)Nc1ccccc1 ZINC001465035037 1396643573 /nfs/dbraw/zinc/64/35/73/1396643573.db2.gz YQELQMVBWBSKKX-LLVKDONJSA-N 0 0 339.355 2.606 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc(=O)[nH]c1 ZINC001465346709 1396672979 /nfs/dbraw/zinc/67/29/79/1396672979.db2.gz CSHPIZMNHODWHX-UHFFFAOYSA-N 0 0 349.390 2.937 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)c(C=O)c1 ZINC001465408410 1396677322 /nfs/dbraw/zinc/67/73/22/1396677322.db2.gz DDBKFOYODOZKDG-UHFFFAOYSA-N 0 0 328.343 2.743 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CC(C)(C)O)CCCC1 ZINC001465622025 1396698067 /nfs/dbraw/zinc/69/80/67/1396698067.db2.gz VOKHFBVJESDALJ-UHFFFAOYSA-N 0 0 344.455 2.758 10 10 EFCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1noc(C)n1 ZINC001465703852 1396704323 /nfs/dbraw/zinc/70/43/23/1396704323.db2.gz GMZGUBZBWAGJRH-SECBINFHSA-N 0 0 333.369 2.885 10 10 EFCERN COC(=O)c1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001465953358 1396725911 /nfs/dbraw/zinc/72/59/11/1396725911.db2.gz FSLJIQUKOCWONK-UHFFFAOYSA-N 0 0 339.391 2.988 10 10 EFCERN O=C(NCc1ccccc1O)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001465990155 1396728515 /nfs/dbraw/zinc/72/85/15/1396728515.db2.gz DCFJMJYODOSGAA-UHFFFAOYSA-N 0 0 346.333 2.706 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001465991857 1396728597 /nfs/dbraw/zinc/72/85/97/1396728597.db2.gz GOUAENNOPQIQIU-JTQLQIEISA-N 0 0 348.330 2.868 10 10 EFCERN COc1cccc(CNC(=O)Cc2cc3ccccc3c(=O)[nH]2)c1O ZINC001465991313 1396728724 /nfs/dbraw/zinc/72/87/24/1396728724.db2.gz AURRMCXDMNTUTG-UHFFFAOYSA-N 0 0 338.363 2.514 10 10 EFCERN Nc1c(C(=O)NCc2ccccc2O)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001465990080 1396728764 /nfs/dbraw/zinc/72/87/64/1396728764.db2.gz AMTNDZMSGVXWRI-UHFFFAOYSA-N 0 0 339.710 2.605 10 10 EFCERN COc1cccc(CNC(=O)Cc2cccc(OC)c2Cl)c1O ZINC001465993090 1396730154 /nfs/dbraw/zinc/73/01/54/1396730154.db2.gz NNYWAEPCRDLBTR-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN O=C(Cc1ccnc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001466289970 1396745894 /nfs/dbraw/zinc/74/58/94/1396745894.db2.gz LYDMWKPCAYNSPI-INIZCTEOSA-N 0 0 344.386 2.677 10 10 EFCERN O=C(c1ccnc2c1CC(=O)N2)N1CCc2c1cccc2C(F)(F)F ZINC001466774348 1396783301 /nfs/dbraw/zinc/78/33/01/1396783301.db2.gz HMRMSAOBEQRKFE-UHFFFAOYSA-N 0 0 347.296 2.798 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001466790078 1396785637 /nfs/dbraw/zinc/78/56/37/1396785637.db2.gz BIDXHSLKUODSLS-RAXBXGLRSA-N 0 0 329.318 2.878 10 10 EFCERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001467769334 1396895429 /nfs/dbraw/zinc/89/54/29/1396895429.db2.gz AGAOUSPNAXUFAR-NXEZZACHSA-N 0 0 343.391 2.972 10 10 EFCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1 ZINC001467962208 1396914576 /nfs/dbraw/zinc/91/45/76/1396914576.db2.gz BZGAJNQJIMQQCV-AWEZNQCLSA-N 0 0 345.395 2.925 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H](O)[C@@H]2C)ccc1C ZINC001468097439 1396925715 /nfs/dbraw/zinc/92/57/15/1396925715.db2.gz KAMCYZMHOVOAJK-KXBFYZLASA-N 0 0 340.423 2.810 10 10 EFCERN CC(C)OC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001468281717 1396941050 /nfs/dbraw/zinc/94/10/50/1396941050.db2.gz WOTGNIFCRUHJIW-ZDUSSCGKSA-N 0 0 334.376 2.555 10 10 EFCERN Cc1nc([C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)no1 ZINC001468438521 1396957581 /nfs/dbraw/zinc/95/75/81/1396957581.db2.gz AGCAPYXLPPRZJI-MRXNPFEDSA-N 0 0 342.359 2.596 10 10 EFCERN COc1cc2c(cc1Cl)CN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001468516526 1396963883 /nfs/dbraw/zinc/96/38/83/1396963883.db2.gz CSYLFHPCPULQPI-UHFFFAOYSA-N 0 0 347.798 2.887 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccccc2F)on1 ZINC001469160196 1397006739 /nfs/dbraw/zinc/00/67/39/1397006739.db2.gz PPTSSCADWDQWGU-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN CC(=O)Nc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001469247914 1397014892 /nfs/dbraw/zinc/01/48/92/1397014892.db2.gz DAGWQPJFHMITFH-UHFFFAOYSA-N 0 0 349.390 2.758 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cnc(C(F)(F)F)nc1 ZINC001469247714 1397014912 /nfs/dbraw/zinc/01/49/12/1397014912.db2.gz FFDRUHLDYDJVNE-UHFFFAOYSA-N 0 0 348.284 2.679 10 10 EFCERN Cc1cn2ccc(C(=O)NCc3ccc4cccnc4c3O)cc2n1 ZINC001469249732 1397015604 /nfs/dbraw/zinc/01/56/04/1397015604.db2.gz NZUNVFOTAODGTK-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN Cc1cc2nc(C)cc(C(=O)NCc3ccc4cccnc4c3O)n2n1 ZINC001469250031 1397016097 /nfs/dbraw/zinc/01/60/97/1397016097.db2.gz QOWUGEUXSNTQQP-UHFFFAOYSA-N 0 0 347.378 2.530 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ncco3)CC2)cc1 ZINC001469330933 1397024253 /nfs/dbraw/zinc/02/42/53/1397024253.db2.gz CNQGUDJGZOANLZ-UHFFFAOYSA-N 0 0 327.344 2.857 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC001469764850 1397053848 /nfs/dbraw/zinc/05/38/48/1397053848.db2.gz NDAPMDIJXSKWJT-CYBMUJFWSA-N 0 0 334.322 2.912 10 10 EFCERN CCN(CCOc1ccccc1OC)C(=O)Cc1ccc(O)c(O)c1 ZINC001470515660 1397095205 /nfs/dbraw/zinc/09/52/05/1397095205.db2.gz RIQSJNFPIXYUDD-UHFFFAOYSA-N 0 0 345.395 2.576 10 10 EFCERN C[C@@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC001471195882 1397149372 /nfs/dbraw/zinc/14/93/72/1397149372.db2.gz PQDKBSLRFISOQV-YPUOHESYSA-N 0 0 338.363 2.614 10 10 EFCERN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(O)c1O ZINC001471643465 1397191918 /nfs/dbraw/zinc/19/19/18/1397191918.db2.gz HKSXIQAGARKMCK-UHFFFAOYSA-N 0 0 338.363 2.920 10 10 EFCERN C/C=C/c1ccc(OCC(=O)NCc2cc(O)ccc2O)c(OC)c1 ZINC001471660585 1397194715 /nfs/dbraw/zinc/19/47/15/1397194715.db2.gz DFXCMSILAQOONY-ONEGZZNKSA-N 0 0 343.379 2.835 10 10 EFCERN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2cc(O)ccc2O)c(C)n1 ZINC001471661962 1397195160 /nfs/dbraw/zinc/19/51/60/1397195160.db2.gz ISAZXUHOYPRUIH-LLVKDONJSA-N 0 0 343.427 2.877 10 10 EFCERN COc1ccc(C[C@@H](C)C(=O)NCc2c(O)cccc2O)cc1OC ZINC001472063836 1397242217 /nfs/dbraw/zinc/24/22/17/1397242217.db2.gz QNEUQURMVIPPJL-GFCCVEGCSA-N 0 0 345.395 2.610 10 10 EFCERN CC(C)(C)OC(=O)Nc1ccoc1C(=O)NCc1c(O)cccc1O ZINC001472063954 1397242376 /nfs/dbraw/zinc/24/23/76/1397242376.db2.gz VBNRNUGTVRFNEM-UHFFFAOYSA-N 0 0 348.355 2.968 10 10 EFCERN CCc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1 ZINC001472063630 1397242481 /nfs/dbraw/zinc/24/24/81/1397242481.db2.gz MGKNRDZPNPADAN-UHFFFAOYSA-N 0 0 337.379 2.776 10 10 EFCERN O=C(CCOc1ccc(F)c(Cl)c1)NCc1c(O)cccc1O ZINC001472064147 1397242662 /nfs/dbraw/zinc/24/26/62/1397242662.db2.gz UFVQESUPNWQHRW-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1c(O)cccc1O ZINC001472064076 1397242685 /nfs/dbraw/zinc/24/26/85/1397242685.db2.gz SQEDWLFVIAAAFP-UHFFFAOYSA-N 0 0 330.340 2.861 10 10 EFCERN NC(=O)Nc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001472086317 1397245460 /nfs/dbraw/zinc/24/54/60/1397245460.db2.gz UMTYSANMYSRLFF-UHFFFAOYSA-N 0 0 335.363 2.966 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCN1C(=O)C1CC1 ZINC001472085580 1397245715 /nfs/dbraw/zinc/24/57/15/1397245715.db2.gz WGMFXJRRLKAPEU-KRWDZBQOSA-N 0 0 338.407 2.563 10 10 EFCERN CC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001474072606 1397363106 /nfs/dbraw/zinc/36/31/06/1397363106.db2.gz CEHJRAXXVHSXAL-MRXNPFEDSA-N 0 0 341.367 2.888 10 10 EFCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cn[nH]c1 ZINC001478357570 1397577199 /nfs/dbraw/zinc/57/71/99/1397577199.db2.gz WWRSAJYCELEJAW-AWEZNQCLSA-N 0 0 327.432 2.913 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccccc2OC)c(O)c1 ZINC001478557819 1397583895 /nfs/dbraw/zinc/58/38/95/1397583895.db2.gz TWNBMXWCFPECJS-ZDUSSCGKSA-N 0 0 344.411 2.840 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCCCC3CC3)CC2)c(OC)c1 ZINC001478885518 1397593253 /nfs/dbraw/zinc/59/32/53/1397593253.db2.gz VVPACDUKSDTSLT-UHFFFAOYSA-N 0 0 347.459 2.726 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCCC3CCC3)CC2)c(OC)c1 ZINC001479206335 1397618720 /nfs/dbraw/zinc/61/87/20/1397618720.db2.gz YOESSCUBJLYRHY-UHFFFAOYSA-N 0 0 347.459 2.726 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001479304104 1397673733 /nfs/dbraw/zinc/67/37/33/1397673733.db2.gz BDPZNTBQULZDMM-BBRMVZONSA-N 0 0 334.322 2.802 10 10 EFCERN C[C@@H]1C[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001493356954 1398637984 /nfs/dbraw/zinc/63/79/84/1398637984.db2.gz RMGDHLUXHJFHFW-KBMXLJTQSA-N 0 0 342.443 2.780 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H]1OC ZINC001498676403 1402237373 /nfs/dbraw/zinc/23/73/73/1402237373.db2.gz XDWUXVIFXVBDIJ-RDJZCZTQSA-N 0 0 344.459 2.998 10 10 EFCERN CCCCC(=O)NC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001500085134 1402930358 /nfs/dbraw/zinc/93/03/58/1402930358.db2.gz CGFZXUPYOYLBMH-GFCCVEGCSA-N 0 0 347.419 2.521 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC001546279458 1404408886 /nfs/dbraw/zinc/40/88/86/1404408886.db2.gz PZUMEYYUPITFPO-AWEZNQCLSA-N 0 0 331.343 2.810 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CC1 ZINC001728983475 1426319705 /nfs/dbraw/zinc/31/97/05/1426319705.db2.gz MEPPEASWDONDJA-UHFFFAOYSA-N 0 0 330.432 2.957 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC001546296952 1405687394 /nfs/dbraw/zinc/68/73/94/1405687394.db2.gz YWLISDBMRGJSGD-YJYMSZOUSA-N 0 0 340.423 2.750 10 10 EFCERN COc1ccc(N2CCN(c3nnc(C)n3[C@H]3C[C@@H]3C)CC2)cc1F ZINC001554959411 1415025838 /nfs/dbraw/zinc/02/58/38/1415025838.db2.gz NDFMBNHGBDUZJH-LRDDRELGSA-N 0 0 345.422 2.642 10 10 EFCERN COCCCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001555473090 1415036562 /nfs/dbraw/zinc/03/65/62/1415036562.db2.gz QTJQBKFUICDPSB-UHFFFAOYSA-N 0 0 344.459 2.999 10 10 EFCERN CCOC(=O)C[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001556295550 1415062732 /nfs/dbraw/zinc/06/27/32/1415062732.db2.gz BJTIMFUQSBSUNQ-KRWDZBQOSA-N 0 0 348.403 2.947 10 10 EFCERN CCOC(=O)C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001556295551 1415062737 /nfs/dbraw/zinc/06/27/37/1415062737.db2.gz BJTIMFUQSBSUNQ-QGZVFWFLSA-N 0 0 348.403 2.947 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)Cc2ccccc2)cc1 ZINC001556341865 1415064790 /nfs/dbraw/zinc/06/47/90/1415064790.db2.gz YZZAWAGOSZETAO-INIZCTEOSA-N 0 0 340.383 2.573 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1ccccn1 ZINC001556516040 1415073741 /nfs/dbraw/zinc/07/37/41/1415073741.db2.gz XXLCVESHIYVQFO-UHFFFAOYSA-N 0 0 343.383 2.593 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSC[C@@H]1CCCCO1 ZINC001556515859 1415074200 /nfs/dbraw/zinc/07/42/00/1415074200.db2.gz PMLBUDQCVIHWBB-ZDUSSCGKSA-N 0 0 344.473 2.796 10 10 EFCERN CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556756624 1415087231 /nfs/dbraw/zinc/08/72/31/1415087231.db2.gz WTJBCXCLAIPAKK-QGZVFWFLSA-N 0 0 332.404 2.720 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(F)cc(Br)c1 ZINC001557084920 1415103892 /nfs/dbraw/zinc/10/38/92/1415103892.db2.gz UGYGLPPHMNCSKT-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(-c2ccco2)n1 ZINC001557121735 1415106294 /nfs/dbraw/zinc/10/62/94/1415106294.db2.gz AIORTSIDIFWOAL-UHFFFAOYSA-N 0 0 348.362 2.864 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1 ZINC001557551171 1415131229 /nfs/dbraw/zinc/13/12/29/1415131229.db2.gz INGQVXQNMRYLSE-CQSZACIVSA-N 0 0 342.330 2.722 10 10 EFCERN C[C@H](NC(=O)CCc1nc(-c2ccoc2)no1)c1ccccc1O ZINC001557968460 1415153026 /nfs/dbraw/zinc/15/30/26/1415153026.db2.gz ZQQQQXLBOVBOJK-NSHDSACASA-N 0 0 327.340 2.845 10 10 EFCERN C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC001557967375 1415153119 /nfs/dbraw/zinc/15/31/19/1415153119.db2.gz APIFMIMXQGZAQO-LBPRGKRZSA-N 0 0 330.359 2.529 10 10 EFCERN Cc1sc(CC(=O)NCc2cccc(O)c2O)nc1-c1ccco1 ZINC001558161117 1415163159 /nfs/dbraw/zinc/16/31/59/1415163159.db2.gz GXHZXLXGVQXJMD-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN CC(C)NC(=O)Nc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001558160246 1415163297 /nfs/dbraw/zinc/16/32/97/1415163297.db2.gz UWQPPHCDWDHWHC-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NCc1cccc(O)c1O ZINC001558162147 1415163320 /nfs/dbraw/zinc/16/33/20/1415163320.db2.gz VWRGAUGKKPSULE-OAHLLOKOSA-N 0 0 337.379 2.659 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001558396848 1415177981 /nfs/dbraw/zinc/17/79/81/1415177981.db2.gz RODZXPQKCOEJER-NHYWBVRUSA-N 0 0 329.318 2.831 10 10 EFCERN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(Br)n1 ZINC001558455486 1415180537 /nfs/dbraw/zinc/18/05/37/1415180537.db2.gz VENJXFRGCJKMRK-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ncccn3)CC2)cc1 ZINC001558450589 1415180788 /nfs/dbraw/zinc/18/07/88/1415180788.db2.gz ZWUVVVDRTCCCBC-UHFFFAOYSA-N 0 0 338.371 2.659 10 10 EFCERN O=C(N[C@@H](c1ncccn1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001558467533 1415181916 /nfs/dbraw/zinc/18/19/16/1415181916.db2.gz AQULMNSCTBWXDK-OAHLLOKOSA-N 0 0 341.392 2.984 10 10 EFCERN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1c(O)cccc1O ZINC001558533587 1415186319 /nfs/dbraw/zinc/18/63/19/1415186319.db2.gz HVHBSSGFDATKKN-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1c(O)cccc1O ZINC001558535858 1415186907 /nfs/dbraw/zinc/18/69/07/1415186907.db2.gz QRVJNYXPJNAXON-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN CC(=O)c1ccc(OCCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001558534520 1415187125 /nfs/dbraw/zinc/18/71/25/1415187125.db2.gz SUCQCNQFXVNDJV-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558533872 1415187280 /nfs/dbraw/zinc/18/72/80/1415187280.db2.gz MFAYYBWPCKMZPW-BXUZGUMPSA-N 0 0 340.379 2.622 10 10 EFCERN CC1(C)CCC[C@@](O)(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001559024000 1415219171 /nfs/dbraw/zinc/21/91/71/1415219171.db2.gz QWTJKJLZNHAJNP-KRWDZBQOSA-N 0 0 325.380 2.688 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)c1nc(N)nc(Cl)c1N ZINC001559057527 1415221659 /nfs/dbraw/zinc/22/16/59/1415221659.db2.gz DBYIKJOIRDUUBY-UHFFFAOYSA-N 0 0 346.866 2.921 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3ccncn3)C2)cc1OC ZINC001559076081 1415222790 /nfs/dbraw/zinc/22/27/90/1415222790.db2.gz IWMYGJQWZGGTHN-LBPRGKRZSA-N 0 0 344.371 2.786 10 10 EFCERN CCN(C)C(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001559171187 1415228064 /nfs/dbraw/zinc/22/80/64/1415228064.db2.gz HXKDEFRBBHGBFE-UHFFFAOYSA-N 0 0 341.367 2.716 10 10 EFCERN C[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001559574801 1415250493 /nfs/dbraw/zinc/25/04/93/1415250493.db2.gz LHJXQWDYZMNEAJ-MRXNPFEDSA-N 0 0 337.467 2.816 10 10 EFCERN c1cn(Cc2ccncc2)nc1NCc1ccc(N2CCOCC2)cc1 ZINC001560392498 1415281198 /nfs/dbraw/zinc/28/11/98/1415281198.db2.gz LPIAEJLSYUBPBV-UHFFFAOYSA-N 0 0 349.438 2.775 10 10 EFCERN C[C@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564555119 1415379372 /nfs/dbraw/zinc/37/93/72/1415379372.db2.gz MHBSASBSRSLVGE-YJBOKZPZSA-N 0 0 331.460 2.853 10 10 EFCERN O=C(NCc1cccc2c1OC(F)(F)O2)NCc1ccccc1O ZINC001565138279 1415390310 /nfs/dbraw/zinc/39/03/10/1415390310.db2.gz JOSCKAYHKSHSME-UHFFFAOYSA-N 0 0 336.294 2.713 10 10 EFCERN Cc1cc(CNC(=O)NOCC(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC001565192697 1415391059 /nfs/dbraw/zinc/39/10/59/1415391059.db2.gz DDDKDECXPOMRLE-UHFFFAOYSA-N 0 0 345.443 2.904 10 10 EFCERN O=C(NCCc1ccc2c(c1)OCCCO2)NCc1ccccc1O ZINC001565365441 1415394341 /nfs/dbraw/zinc/39/43/41/1415394341.db2.gz HGYJWEFTXWZBLA-UHFFFAOYSA-N 0 0 342.395 2.595 10 10 EFCERN CN(C)c1ccc(C(=O)NCCCSc2nccs2)cc1C=O ZINC001565620696 1415407789 /nfs/dbraw/zinc/40/77/89/1415407789.db2.gz ZYDZEHKPVBCKLY-UHFFFAOYSA-N 0 0 349.481 2.934 10 10 EFCERN Cc1ccccc1-c1cc(NC(=O)Cc2ccc(O)c(O)c2)n(C)n1 ZINC001566213672 1415535220 /nfs/dbraw/zinc/53/52/20/1415535220.db2.gz GVFKDLMKLMXJLY-UHFFFAOYSA-N 0 0 337.379 2.988 10 10 EFCERN O=C(NC[C@@H](O)c1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001566337374 1415541685 /nfs/dbraw/zinc/54/16/85/1415541685.db2.gz TWBHDPUHEPIVGG-CQSZACIVSA-N 0 0 347.367 2.915 10 10 EFCERN CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1CC ZINC001566359899 1415543069 /nfs/dbraw/zinc/54/30/69/1415543069.db2.gz QZDDNVGXIVUDJQ-UHFFFAOYSA-N 0 0 327.428 2.980 10 10 EFCERN O=C(NCCc1ccc(O)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001566370372 1415543572 /nfs/dbraw/zinc/54/35/72/1415543572.db2.gz XZKFIDQSTLLWDV-UHFFFAOYSA-N 0 0 329.377 2.991 10 10 EFCERN CCCCNc1nc(CC(=O)NCc2cccc(OC)c2O)cs1 ZINC001566374451 1415544232 /nfs/dbraw/zinc/54/42/32/1415544232.db2.gz JOVXIDOALCKYDZ-UHFFFAOYSA-N 0 0 349.456 2.928 10 10 EFCERN O=C(N[C@@H](CO)Cc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001567343268 1416083290 /nfs/dbraw/zinc/08/32/90/1416083290.db2.gz NACUVUXSOHDLSP-CYBMUJFWSA-N 0 0 343.404 2.646 10 10 EFCERN COc1cc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001567467097 1416150239 /nfs/dbraw/zinc/15/02/39/1416150239.db2.gz AUGGXHQUKNVVOS-SECBINFHSA-N 0 0 337.322 2.746 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001567667596 1416239279 /nfs/dbraw/zinc/23/92/79/1416239279.db2.gz VTHOAPFSUBSCIP-UHFFFAOYSA-N 0 0 333.334 2.620 10 10 EFCERN COc1ccc(CNC(=O)c2ccnc(-c3ccccc3)n2)c(O)c1 ZINC001568097300 1416408828 /nfs/dbraw/zinc/40/88/28/1416408828.db2.gz DJTJUABOQGXXOB-UHFFFAOYSA-N 0 0 335.363 2.788 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001568137118 1416422906 /nfs/dbraw/zinc/42/29/06/1416422906.db2.gz FCYPFHKHAPSNCE-SFHVURJKSA-N 0 0 343.427 2.858 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](CO)[C@H]3C)c2C)cc1 ZINC001568204347 1416440183 /nfs/dbraw/zinc/44/01/83/1416440183.db2.gz ZAIUCSLFRYIUGX-GDBMZVCRSA-N 0 0 342.439 2.946 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cnc(-c2cccnc2)s1 ZINC001646034056 1416604061 /nfs/dbraw/zinc/60/40/61/1416604061.db2.gz FXWDCBZLAMZPNX-UHFFFAOYSA-N 0 0 329.356 2.980 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc1 ZINC001646262229 1416640070 /nfs/dbraw/zinc/64/00/70/1416640070.db2.gz SSDAEKLALRAELA-CQSZACIVSA-N 0 0 348.309 2.591 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)C(F)(F)F ZINC001646282716 1416642529 /nfs/dbraw/zinc/64/25/29/1416642529.db2.gz KWTAVCSNCDTERG-LLVKDONJSA-N 0 0 332.347 2.809 10 10 EFCERN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001683254337 1416679456 /nfs/dbraw/zinc/67/94/56/1416679456.db2.gz OXGJHHBBMYFOEB-YJLNNSPDSA-N 0 0 333.476 2.859 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@]12C[C@H]1COC2(C)C ZINC001683254103 1416679575 /nfs/dbraw/zinc/67/95/75/1416679575.db2.gz MWVJXQOKLGKCBF-DKICVRJWSA-N 0 0 345.487 2.859 10 10 EFCERN Cc1cc(CNC(=O)NCC[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001683303614 1416679983 /nfs/dbraw/zinc/67/99/83/1416679983.db2.gz OVBSUGDDPSRGAI-HNNXBMFYSA-N 0 0 329.444 2.973 10 10 EFCERN CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001683424559 1416680799 /nfs/dbraw/zinc/68/07/99/1416680799.db2.gz FMBDQPAEYJYJDJ-OXJNMPFZSA-N 0 0 347.503 2.939 10 10 EFCERN O=C(NCc1ncccn1)N(Cc1ccco1)Cc1ccccc1O ZINC001683830490 1416686300 /nfs/dbraw/zinc/68/63/00/1416686300.db2.gz IBNCQKCCLGVXLS-UHFFFAOYSA-N 0 0 338.367 2.687 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCCc2c(F)cc(O)cc2F)c1 ZINC001684343047 1416718347 /nfs/dbraw/zinc/71/83/47/1416718347.db2.gz XIGGEUCUZNMZHM-UHFFFAOYSA-N 0 0 336.338 2.726 10 10 EFCERN CC1(C)CO[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001684997897 1416739464 /nfs/dbraw/zinc/73/94/64/1416739464.db2.gz OSDRTBILJYCGPU-CQSZACIVSA-N 0 0 332.444 2.885 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NCc1cccc2c1OCCO2 ZINC001685681393 1416770729 /nfs/dbraw/zinc/77/07/29/1416770729.db2.gz FOUBHJOKPGVICW-UHFFFAOYSA-N 0 0 348.786 2.816 10 10 EFCERN CCc1noc([C@H]2CC[C@H](NC(=O)NCc3cc(C)ccc3O)C2)n1 ZINC001687745019 1416871852 /nfs/dbraw/zinc/87/18/52/1416871852.db2.gz BRNBSSDOMFPQBJ-JSGCOSHPSA-N 0 0 344.415 2.782 10 10 EFCERN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC000124603343 1417121203 /nfs/dbraw/zinc/12/12/03/1417121203.db2.gz QUYQNTCGOVDSFV-ZDUSSCGKSA-N 0 0 336.432 2.842 10 10 EFCERN COCCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001730695172 1426334440 /nfs/dbraw/zinc/33/44/40/1426334440.db2.gz MLEGKQGBDUIFNA-UHFFFAOYSA-N 0 0 343.475 2.860 10 10 EFCERN Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)nn1 ZINC000866842494 712912528 /nfs/dbraw/zinc/91/25/28/712912528.db2.gz CRBWYHQNDSNASC-UHFFFAOYSA-N 0 0 347.440 2.624 10 10 EFCERN C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC2(CCC2)C1 ZINC000924288434 712963612 /nfs/dbraw/zinc/96/36/12/712963612.db2.gz RORRVIVKQICELG-WLPBJKJWSA-N 0 0 331.412 2.967 10 10 EFCERN O=C(CCc1cscn1)NCc1cc(Br)ccc1O ZINC000804738336 713456670 /nfs/dbraw/zinc/45/66/70/713456670.db2.gz MJIAISKYIPPYOT-UHFFFAOYSA-N 0 0 341.230 2.860 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000120572500 713276081 /nfs/dbraw/zinc/27/60/81/713276081.db2.gz YHJUQSODHLOPRC-OAHLLOKOSA-N 0 0 340.423 2.949 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)NCc1cccc(Cl)c1O)CCO2 ZINC000890763038 713449746 /nfs/dbraw/zinc/44/97/46/713449746.db2.gz NJBJLANUMIXUNI-HOTGVXAUSA-N 0 0 325.792 2.595 10 10 EFCERN Cc1cnccc1CC(=O)NCc1cc(Br)ccc1O ZINC000804733313 713454651 /nfs/dbraw/zinc/45/46/51/713454651.db2.gz OAMSZSJROJZORI-UHFFFAOYSA-N 0 0 335.201 2.717 10 10 EFCERN O=CNc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804735691 713455396 /nfs/dbraw/zinc/45/53/96/713455396.db2.gz HBMRHHAJRARIOL-UHFFFAOYSA-N 0 0 349.184 2.653 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc(O)cc1F ZINC000804735631 713455440 /nfs/dbraw/zinc/45/54/40/713455440.db2.gz GCAXJKJGTWUJRE-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1CCSCC1 ZINC000804734567 713455588 /nfs/dbraw/zinc/45/55/88/713455588.db2.gz QZFIKIPGLHBUDG-UHFFFAOYSA-N 0 0 330.247 2.914 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1c[nH]c2cccnc12 ZINC000804736365 713455743 /nfs/dbraw/zinc/45/57/43/713455743.db2.gz TVZOBWXBQPAXOS-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(Cc1ccc(F)cn1)NCc1cc(Br)ccc1O ZINC000804737081 713456030 /nfs/dbraw/zinc/45/60/30/713456030.db2.gz DNXVLHTVGKZWNM-UHFFFAOYSA-N 0 0 339.164 2.548 10 10 EFCERN COC1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804737769 713456049 /nfs/dbraw/zinc/45/60/49/713456049.db2.gz XCQWGOZTFOTYRD-UHFFFAOYSA-N 0 0 342.233 2.976 10 10 EFCERN O=C(/C=C/C1CCOCC1)NCc1cc(Br)ccc1O ZINC000804739326 713456383 /nfs/dbraw/zinc/45/63/83/713456383.db2.gz WEVNEJKYLFZLIT-DAFODLJHSA-N 0 0 340.217 2.754 10 10 EFCERN COCCC[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804740619 713457089 /nfs/dbraw/zinc/45/70/89/713457089.db2.gz JVUJMLLHWZXYDV-SNVBAGLBSA-N 0 0 330.222 2.834 10 10 EFCERN Nc1nc(Cl)cc(NCc2cc(Br)ccc2O)n1 ZINC000804828214 713488190 /nfs/dbraw/zinc/48/81/90/713488190.db2.gz KSFXPHXLOAHSNC-UHFFFAOYSA-N 0 0 329.585 2.792 10 10 EFCERN COc1cc(OC)nc(NCc2cc(Br)ccc2O)n1 ZINC000804827351 713488458 /nfs/dbraw/zinc/48/84/58/713488458.db2.gz PITDLRVDDMPOJJ-UHFFFAOYSA-N 0 0 340.177 2.574 10 10 EFCERN CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)S1(=O)=O ZINC000840946823 717982955 /nfs/dbraw/zinc/98/29/55/717982955.db2.gz VRTAJLKLCFYQCU-NWDGAFQWSA-N 0 0 331.865 2.752 10 10 EFCERN CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)S1(=O)=O ZINC000840946828 717984373 /nfs/dbraw/zinc/98/43/73/717984373.db2.gz VRTAJLKLCFYQCU-VXGBXAGGSA-N 0 0 331.865 2.752 10 10 EFCERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000176339553 715200564 /nfs/dbraw/zinc/20/05/64/715200564.db2.gz GFOHAJCOKUUZDV-JMSVASOKSA-N 0 0 339.386 2.964 10 10 EFCERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000137883403 724398875 /nfs/dbraw/zinc/39/88/75/724398875.db2.gz GTBIXTOFFAFAGB-KRWDZBQOSA-N 0 0 348.491 2.555 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCOCC1 ZINC000161310911 715566433 /nfs/dbraw/zinc/56/64/33/715566433.db2.gz FFCHLIFJJPJROM-MAUKXSAKSA-N 0 0 347.455 2.963 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCc1ccccn1 ZINC000052818318 716634246 /nfs/dbraw/zinc/63/42/46/716634246.db2.gz ASQDUQWOSWNWTH-UHFFFAOYSA-N 0 0 334.379 2.960 10 10 EFCERN COC(=O)c1cc(CN2CCN(c3ccc(OC)cc3)CC2)c(C)o1 ZINC000143086658 717075484 /nfs/dbraw/zinc/07/54/84/717075484.db2.gz UPWDTFKSYPVZEL-UHFFFAOYSA-N 0 0 344.411 2.705 10 10 EFCERN COC(=O)/C=C\c1ccc(N2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000255627890 717205358 /nfs/dbraw/zinc/20/53/58/717205358.db2.gz COYZGIGWONPXOE-VFFGBVLKSA-N 0 0 334.372 2.785 10 10 EFCERN COC(=O)c1cnc(/C=C\c2ccc(N3CCOCC3)cc2)s1 ZINC000255652657 717341450 /nfs/dbraw/zinc/34/14/50/717341450.db2.gz ZRAVPYBMPJFWAU-DAXSKMNVSA-N 0 0 330.409 2.937 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000177957365 718226892 /nfs/dbraw/zinc/22/68/92/718226892.db2.gz JZPMMJOEXDVVIH-MRXNPFEDSA-N 0 0 332.444 2.980 10 10 EFCERN Cc1cc(O)c(CN2CCC(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000840950940 718569630 /nfs/dbraw/zinc/56/96/30/718569630.db2.gz ULAGBOBIAYLBKQ-UHFFFAOYSA-N 0 0 331.865 2.611 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccnc1Cl ZINC000935944885 718735840 /nfs/dbraw/zinc/73/58/40/718735840.db2.gz BTTIINGKWIIHIN-UHFFFAOYSA-N 0 0 325.792 2.785 10 10 EFCERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928709441 724586599 /nfs/dbraw/zinc/58/65/99/724586599.db2.gz ILPPIPPZQGNNGS-LLVKDONJSA-N 0 0 340.395 2.793 10 10 EFCERN CC(C)N(CC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000928711240 724587952 /nfs/dbraw/zinc/58/79/52/724587952.db2.gz LTGIWPWCCCJMOW-UHFFFAOYSA-N 0 0 340.395 2.793 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)c1 ZINC000925858564 719858003 /nfs/dbraw/zinc/85/80/03/719858003.db2.gz XLIVEGCRVJNBKZ-BONVTDFDSA-N 0 0 346.349 2.514 10 10 EFCERN CCC1(O)CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000894050213 720250522 /nfs/dbraw/zinc/25/05/22/720250522.db2.gz MLICYEDAJLPAAU-UHFFFAOYSA-N 0 0 348.418 2.841 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(=O)OC)ccn1 ZINC000841385015 724702842 /nfs/dbraw/zinc/70/28/42/724702842.db2.gz MPAWBRCGLIFONB-UHFFFAOYSA-N 0 0 341.411 2.597 10 10 EFCERN O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000897349669 724709297 /nfs/dbraw/zinc/70/92/97/724709297.db2.gz FCWIXOSWSPTKDS-LLVKDONJSA-N 0 0 349.408 2.728 10 10 EFCERN Cc1ncc(/C=C/C(=O)N2CCCc3ccnc(N(C)C)c32)s1 ZINC000894159244 720972224 /nfs/dbraw/zinc/97/22/24/720972224.db2.gz ZJQVZHCGTDIBGY-VOTSOKGWSA-N 0 0 328.441 2.905 10 10 EFCERN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000195432696 721125468 /nfs/dbraw/zinc/12/54/68/721125468.db2.gz KUYXPHKVKFZJGV-YOEHRIQHSA-N 0 0 334.485 2.529 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Br)c2ccccc2c1 ZINC000814584646 721215314 /nfs/dbraw/zinc/21/53/14/721215314.db2.gz MKEVYHMAJBTLTR-UHFFFAOYSA-N 0 0 335.153 2.917 10 10 EFCERN COC(=O)c1c(C[NH2+]CCc2nccs2)c2cc(F)ccc2n1C ZINC000894211646 721258747 /nfs/dbraw/zinc/25/87/47/721258747.db2.gz RKXKAYXIIWAZLW-UHFFFAOYSA-N 0 0 347.415 2.893 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000028440710 721715593 /nfs/dbraw/zinc/71/55/93/721715593.db2.gz WDGAGPSOZAOUTE-UHFFFAOYSA-N 0 0 327.384 2.861 10 10 EFCERN CC1=CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897397559 724802793 /nfs/dbraw/zinc/80/27/93/724802793.db2.gz BJCFHATVOYAILT-UHFFFAOYSA-N 0 0 332.425 2.694 10 10 EFCERN COc1ccc2c(c1)CCCN2Cc1nc(Br)nn1C ZINC000894428975 722734216 /nfs/dbraw/zinc/73/42/16/722734216.db2.gz JCVRMDOOXLRJRG-UHFFFAOYSA-N 0 0 337.221 2.539 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CCOCC2(CC2)C1 ZINC000894436193 722736932 /nfs/dbraw/zinc/73/69/32/722736932.db2.gz FDTFEZQGINNDSP-UHFFFAOYSA-N 0 0 330.197 2.906 10 10 EFCERN COC(=O)c1c(CN2CCOCC3(CC3)C2)c2cc(F)ccc2n1C ZINC000894438061 722737370 /nfs/dbraw/zinc/73/73/70/722737370.db2.gz WHFAFAGZJVUZDZ-UHFFFAOYSA-N 0 0 346.402 2.716 10 10 EFCERN CCC1(CC)CN(Cc2cc(C)cc(OC)c2O)CC[S@@]1=O ZINC000894477949 722751558 /nfs/dbraw/zinc/75/15/58/722751558.db2.gz PNMMRBBLNCRBAI-QFIPXVFZSA-N 0 0 325.474 2.832 10 10 EFCERN CCC1(CC)CN(Cc2cc(C)cc(OC)c2O)CC[S@]1=O ZINC000894477950 722751804 /nfs/dbraw/zinc/75/18/04/722751804.db2.gz PNMMRBBLNCRBAI-JOCHJYFZSA-N 0 0 325.474 2.832 10 10 EFCERN COC(=O)c1c(CN[C@H]2CCn3ccnc32)c2cc(F)ccc2n1C ZINC000894870095 722928925 /nfs/dbraw/zinc/92/89/25/722928925.db2.gz IUSIONPOFZEGAU-AWEZNQCLSA-N 0 0 342.374 2.535 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H]1c2ccccc2C(=O)OC12CCC2 ZINC000896015283 723096448 /nfs/dbraw/zinc/09/64/48/723096448.db2.gz KXUVRRBEZIGTGP-KRWDZBQOSA-N 0 0 337.375 2.885 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](n2ccnc2)C1 ZINC000896151474 723162258 /nfs/dbraw/zinc/16/22/58/723162258.db2.gz DTCRIODKHXPJOS-GFCCVEGCSA-N 0 0 343.408 2.986 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(OC)nc2)c1 ZINC000896162409 723163090 /nfs/dbraw/zinc/16/30/90/723163090.db2.gz DBCBZTVNACQDGW-GFCCVEGCSA-N 0 0 330.384 2.614 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000896217568 723206095 /nfs/dbraw/zinc/20/60/95/723206095.db2.gz QIKOCZBRPJTAGW-KBPBESRZSA-N 0 0 338.835 2.908 10 10 EFCERN COc1cccc2c(C(=O)NCc3ccc(N(C)C)cc3C)cnn21 ZINC000896402082 723287447 /nfs/dbraw/zinc/28/74/47/723287447.db2.gz KGFADZXTBJDDOG-UHFFFAOYSA-N 0 0 338.411 2.647 10 10 EFCERN CC[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)OC ZINC000895128889 723391193 /nfs/dbraw/zinc/39/11/93/723391193.db2.gz ZFEUPTOYCJTSIH-JTQLQIEISA-N 0 0 330.222 2.752 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(C)=O)cc1 ZINC000728222863 723852841 /nfs/dbraw/zinc/85/28/41/723852841.db2.gz PRNOMFPCBAOLSB-SFHVURJKSA-N 0 0 331.460 2.502 10 10 EFCERN O=C(NCC1(CO)CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896995274 723932153 /nfs/dbraw/zinc/93/21/53/723932153.db2.gz IYWVTAZOPFSWCS-UHFFFAOYSA-N 0 0 335.425 2.985 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000727367153 723963993 /nfs/dbraw/zinc/96/39/93/723963993.db2.gz YUSQBYKNBKOMEG-ZWKOTPCHSA-N 0 0 340.423 2.562 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000897158096 724054901 /nfs/dbraw/zinc/05/49/01/724054901.db2.gz AWQDEZFSGKCMNY-QWRGUYRKSA-N 0 0 333.409 2.811 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CCNC(=O)CC2(C)C)c1 ZINC000895400451 724117667 /nfs/dbraw/zinc/11/76/67/724117667.db2.gz RILVAPAVAJIFMH-UHFFFAOYSA-N 0 0 341.249 2.564 10 10 EFCERN COCc1ncc2c(n1)CCN(Cc1ccc(N(C)C)cc1C)C2 ZINC000895417303 724125215 /nfs/dbraw/zinc/12/52/15/724125215.db2.gz WYNYJGFPOISQBT-UHFFFAOYSA-N 0 0 326.444 2.556 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897250356 724126980 /nfs/dbraw/zinc/12/69/80/724126980.db2.gz CQAIIRQEKFRXSE-SECBINFHSA-N 0 0 337.397 2.774 10 10 EFCERN COC(=O)c1c(CN2CC[C@H]2C(F)F)c2cc(F)ccc2n1C ZINC000895432165 724129301 /nfs/dbraw/zinc/12/93/01/724129301.db2.gz VZKVOFBFNQUNPZ-ZDUSSCGKSA-N 0 0 326.318 2.943 10 10 EFCERN CC1(C)C[C@H](O)C[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895460399 724144158 /nfs/dbraw/zinc/14/41/58/724144158.db2.gz OHTGBPQOZDDJJW-NSHDSACASA-N 0 0 332.213 2.887 10 10 EFCERN Cc1cc(CCNC(=O)NC[C@@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC000728743530 724150046 /nfs/dbraw/zinc/15/00/46/724150046.db2.gz QIBWGJUZINETGV-LJQANCHMSA-N 0 0 341.455 2.707 10 10 EFCERN Cc1cnc(F)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000895493866 724159529 /nfs/dbraw/zinc/15/95/29/724159529.db2.gz BBPGNVAENKZUAM-UHFFFAOYSA-N 0 0 343.402 2.638 10 10 EFCERN COC(=O)c1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000895485005 724162189 /nfs/dbraw/zinc/16/21/89/724162189.db2.gz GGJCFBKILFDEFU-UHFFFAOYSA-N 0 0 330.384 2.713 10 10 EFCERN COC(=O)[C@@H](CC1CCOCC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895593662 724219199 /nfs/dbraw/zinc/21/91/99/724219199.db2.gz WXUORZSUFVSHRF-VZSQWMKGSA-N 0 0 346.471 2.714 10 10 EFCERN Brc1cnc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000895642950 724240273 /nfs/dbraw/zinc/24/02/73/724240273.db2.gz BMZWRDABTADNEA-UHFFFAOYSA-N 0 0 334.217 2.854 10 10 EFCERN [O-]c1c(Br)cccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695976 724267218 /nfs/dbraw/zinc/26/72/18/724267218.db2.gz KNNCDLFTAQEALB-UHFFFAOYSA-N 0 0 342.233 2.536 10 10 EFCERN Cc1nccn1C[C@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895806145 724325772 /nfs/dbraw/zinc/32/57/72/724325772.db2.gz PGRBQCOACLALFF-SNVBAGLBSA-N 0 0 345.424 2.884 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1F ZINC000895837035 724343475 /nfs/dbraw/zinc/34/34/75/724343475.db2.gz JRVIDJMDPLCKHR-CQSZACIVSA-N 0 0 338.320 2.778 10 10 EFCERN CCOC(=O)[C@H](C[C@@H]1CCCO1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895864533 724354481 /nfs/dbraw/zinc/35/44/81/724354481.db2.gz PEIOFJTWKZHZJJ-GGUXULKNSA-N 0 0 346.471 2.856 10 10 EFCERN CCN(Cc1cnn(C)c1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895858545 724355160 /nfs/dbraw/zinc/35/51/60/724355160.db2.gz OBNUHFYLSKFKNJ-UHFFFAOYSA-N 0 0 331.397 2.708 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CNC(C)=O)s2)c1 ZINC000728982677 724940425 /nfs/dbraw/zinc/94/04/25/724940425.db2.gz ONLOFCHESOZTKP-JTQLQIEISA-N 0 0 348.424 2.589 10 10 EFCERN O=C(NCCc1ccc2c(c1)CCO2)NCc1c(O)cccc1F ZINC000918730867 728917507 /nfs/dbraw/zinc/91/75/07/728917507.db2.gz SENQWPPPCQRAHT-UHFFFAOYSA-N 0 0 330.359 2.508 10 10 EFCERN O=S(=O)([C@H]1C[C@@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000918881422 728938805 /nfs/dbraw/zinc/93/88/05/728938805.db2.gz IXSXHJDZNOMICH-PBHICJAKSA-N 0 0 333.384 2.733 10 10 EFCERN O=S(=O)([C@@H]1C[C@@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000918881425 728938856 /nfs/dbraw/zinc/93/88/56/728938856.db2.gz IXSXHJDZNOMICH-RHSMWYFYSA-N 0 0 333.384 2.733 10 10 EFCERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897409229 725432508 /nfs/dbraw/zinc/43/25/08/725432508.db2.gz UNAQQPIEANEDIZ-SMDDNHRTSA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000151645905 725797969 /nfs/dbraw/zinc/79/79/69/725797969.db2.gz IOUAHCWWDMEXLG-AWEZNQCLSA-N 0 0 329.396 2.939 10 10 EFCERN C[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1ccccc1O ZINC000913763891 725853653 /nfs/dbraw/zinc/85/36/53/725853653.db2.gz UUXAHTLOYQMPCC-OIBJUYFYSA-N 0 0 326.607 2.691 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC000913926544 725953130 /nfs/dbraw/zinc/95/31/30/725953130.db2.gz GBEIXYLHVHPCBF-GXTWGEPZSA-N 0 0 345.365 2.519 10 10 EFCERN O=C(NCc1ccnc(N2CCCC2)c1)NCc1c(O)cccc1F ZINC000913995611 725979663 /nfs/dbraw/zinc/97/96/63/725979663.db2.gz WIGUUQYLGNYWBF-UHFFFAOYSA-N 0 0 344.390 2.526 10 10 EFCERN Cc1ccc(NCCCNC(=O)NCc2c(O)cccc2F)nc1 ZINC000914124202 726062004 /nfs/dbraw/zinc/06/20/04/726062004.db2.gz LHRYRHBNQIYZHS-UHFFFAOYSA-N 0 0 332.379 2.536 10 10 EFCERN COc1cccc(CNS(=O)(=O)CCC(C)(C)C2CC2)c1O ZINC000914152746 726084031 /nfs/dbraw/zinc/08/40/31/726084031.db2.gz JGVZWLLFOCGSRZ-UHFFFAOYSA-N 0 0 327.446 2.647 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)CCC(C)(C)C2CC2)c1 ZINC000914163318 726092866 /nfs/dbraw/zinc/09/28/66/726092866.db2.gz XVTIROZLLOIDIX-UHFFFAOYSA-N 0 0 327.446 2.647 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)cc1 ZINC000729246615 726158193 /nfs/dbraw/zinc/15/81/93/726158193.db2.gz ZCZNQJUEAWVAOK-MRXNPFEDSA-N 0 0 327.428 2.797 10 10 EFCERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1ccc(N)cc1 ZINC000152540108 726162957 /nfs/dbraw/zinc/16/29/57/726162957.db2.gz NKKQZKXZMPBGMT-UHFFFAOYSA-N 0 0 328.460 2.640 10 10 EFCERN COC(C)(C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000914400702 726278673 /nfs/dbraw/zinc/27/86/73/726278673.db2.gz RLMMQJCGDDIOIC-GJZGRUSLSA-N 0 0 349.475 2.697 10 10 EFCERN CC(C)n1cc(Br)c(C(=O)NCc2ccccc2O)n1 ZINC000907057760 726855845 /nfs/dbraw/zinc/85/58/45/726855845.db2.gz WQQCWYRFWQGAML-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(CC2CC2)s1 ZINC000907272706 726900138 /nfs/dbraw/zinc/90/01/38/726900138.db2.gz HVCFFPGCULPBFF-SNVBAGLBSA-N 0 0 332.425 2.868 10 10 EFCERN C[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@@H]1C1CC1 ZINC000907350227 726920172 /nfs/dbraw/zinc/92/01/72/726920172.db2.gz ADGIRKPSLIPWHL-WBVHZDCISA-N 0 0 333.409 3.000 10 10 EFCERN CCOC(=O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000907423925 726938358 /nfs/dbraw/zinc/93/83/58/726938358.db2.gz WNJWGVVKWSLPII-UHFFFAOYSA-N 0 0 349.408 2.870 10 10 EFCERN CC(C)COCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731859550 726943463 /nfs/dbraw/zinc/94/34/63/726943463.db2.gz WTCKQIITQZUMEH-QGZVFWFLSA-N 0 0 335.444 2.963 10 10 EFCERN COc1ccccc1[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907492999 726953555 /nfs/dbraw/zinc/95/35/55/726953555.db2.gz NRMPUPSJGRQOEE-ACJLOTCBSA-N 0 0 328.412 2.672 10 10 EFCERN C[C@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)c1ccc(N(C)C)cc1 ZINC000907494296 726954041 /nfs/dbraw/zinc/95/40/41/726954041.db2.gz YJXDHZNTHYNMPT-SCLBCKFNSA-N 0 0 338.411 2.518 10 10 EFCERN Cc1cc(C)c(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000907493768 726954046 /nfs/dbraw/zinc/95/40/46/726954046.db2.gz RYWVLYUGAPLWCG-AWEZNQCLSA-N 0 0 327.428 2.890 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000915367208 726964648 /nfs/dbraw/zinc/96/46/48/726964648.db2.gz WWZBCAGTTVNLAR-YJBOKZPZSA-N 0 0 349.450 2.896 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@]34C[C@H]3COC43CCC3)ccc21 ZINC000915390030 726969952 /nfs/dbraw/zinc/96/99/52/726969952.db2.gz HKVMLVQXTDMMFI-OXJNMPFZSA-N 0 0 341.455 2.580 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)[C@H]1CCCO1 ZINC000907758690 727009644 /nfs/dbraw/zinc/00/96/44/727009644.db2.gz SGPIRXKHHGEBFG-BXKDBHETSA-N 0 0 328.206 2.586 10 10 EFCERN O=C(OCCCc1nc(-c2ccncc2)no1)C1=CC(=O)CS1 ZINC000732353440 727025376 /nfs/dbraw/zinc/02/53/76/727025376.db2.gz OZMXCOYEFQVPAK-UHFFFAOYSA-N 0 0 331.353 2.688 10 10 EFCERN O=C(COC(=O)C1=CC(=O)CS1)NC12CC3CC(CC(C3)C1)C2 ZINC000732354806 727027050 /nfs/dbraw/zinc/02/70/50/727027050.db2.gz RVRVFNTVNWDZQJ-UHFFFAOYSA-N 0 0 335.425 2.696 10 10 EFCERN COc1ccc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c(O)c1 ZINC000907925876 727055583 /nfs/dbraw/zinc/05/55/83/727055583.db2.gz KGPCQSSFZAXKKY-UHFFFAOYSA-N 0 0 339.395 2.935 10 10 EFCERN CC1(C)C[C@](C)(NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 ZINC000908451621 727192569 /nfs/dbraw/zinc/19/25/69/727192569.db2.gz ZELYCSNSMFGGOO-INIZCTEOSA-N 0 0 335.381 2.527 10 10 EFCERN Cc1n[nH]c(C)c1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000909288891 727356046 /nfs/dbraw/zinc/35/60/46/727356046.db2.gz XXGFQRFCXGNVPC-UHFFFAOYSA-N 0 0 331.397 2.625 10 10 EFCERN O=C(NCC1(Br)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000910224783 727419923 /nfs/dbraw/zinc/41/99/23/727419923.db2.gz YISQFACUZZAZDX-UHFFFAOYSA-N 0 0 342.214 2.970 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(C2CCOCC2)cc1 ZINC000910957652 727473001 /nfs/dbraw/zinc/47/30/01/727473001.db2.gz UQEMHDBRGNJXDN-UHFFFAOYSA-N 0 0 327.380 2.922 10 10 EFCERN CCc1ccc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910957863 727473030 /nfs/dbraw/zinc/47/30/30/727473030.db2.gz OHTAFCLEIBNPJA-UHFFFAOYSA-N 0 0 327.380 2.940 10 10 EFCERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc(O)cc1O ZINC000910945931 727475073 /nfs/dbraw/zinc/47/50/73/727475073.db2.gz FEOZZYVNKDFVAV-GOSISDBHSA-N 0 0 327.380 2.808 10 10 EFCERN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc(O)cc1O ZINC000910945532 727475102 /nfs/dbraw/zinc/47/51/02/727475102.db2.gz CFPDYEOBVVLGJX-UHFFFAOYSA-N 0 0 339.395 2.859 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276412 727518762 /nfs/dbraw/zinc/51/87/62/727518762.db2.gz MFKJIRWKASVBEB-CQSZACIVSA-N 0 0 332.444 2.643 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3c(C)[nH]nc3Cl)C2)cc1 ZINC000911277698 727519110 /nfs/dbraw/zinc/51/91/10/727519110.db2.gz WEIPSBOBMIUPDC-LBPRGKRZSA-N 0 0 348.834 2.636 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911684781 727581986 /nfs/dbraw/zinc/58/19/86/727581986.db2.gz TUISMAZNPMIIND-XETPBLJFSA-N 0 0 326.371 2.822 10 10 EFCERN CCc1nc(C)c(CC(=O)NCc2cc(Cl)ccc2O)c(C)n1 ZINC000911897181 727617432 /nfs/dbraw/zinc/61/74/32/727617432.db2.gz HOIFGQQJNDPSLL-UHFFFAOYSA-N 0 0 333.819 2.874 10 10 EFCERN O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1cc(Cl)ccc1O ZINC000911897185 727617674 /nfs/dbraw/zinc/61/76/74/727617674.db2.gz HPFMDITZDWJINK-VIFPVBQESA-N 0 0 347.025 2.783 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H]1C(F)(F)F ZINC000912078068 727651897 /nfs/dbraw/zinc/65/18/97/727651897.db2.gz BSZSQAVBCPBBSO-LBPRGKRZSA-N 0 0 333.287 2.673 10 10 EFCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H](O)C2CCC2)cc1 ZINC000912111683 727655538 /nfs/dbraw/zinc/65/55/38/727655538.db2.gz WTDULEBPAVSJIL-HNNXBMFYSA-N 0 0 344.377 2.805 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)nc3F)C2)cc1 ZINC000912292961 727689265 /nfs/dbraw/zinc/68/92/65/727689265.db2.gz QWUJAQXBMNDERC-NSHDSACASA-N 0 0 349.793 2.891 10 10 EFCERN C[C@@H](CO)[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912394524 727705114 /nfs/dbraw/zinc/70/51/14/727705114.db2.gz LUWLPEXLMIZHGP-CMPLNLGQSA-N 0 0 335.425 2.936 10 10 EFCERN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154114645 727714226 /nfs/dbraw/zinc/71/42/26/727714226.db2.gz MOQGWIIYMXGEEC-LBPRGKRZSA-N 0 0 339.355 2.732 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCn2cncc21 ZINC000912585363 727727148 /nfs/dbraw/zinc/72/71/48/727727148.db2.gz SOPNQFUXPDWLOT-KRWDZBQOSA-N 0 0 348.406 2.978 10 10 EFCERN CN=[S@@](C)(=O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000912799441 727745778 /nfs/dbraw/zinc/74/57/78/727745778.db2.gz GKORTEKHUOCUDI-DEOSSOPVSA-N 0 0 347.484 2.860 10 10 EFCERN CC[S@](=O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000733879398 727758731 /nfs/dbraw/zinc/75/87/31/727758731.db2.gz MZOIQDVNUZPXFV-QHCPKHFHSA-N 0 0 332.469 2.901 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)c1 ZINC000913000736 727767569 /nfs/dbraw/zinc/76/75/69/727767569.db2.gz TZYNLHWDLBVGES-ZDUSSCGKSA-N 0 0 332.366 2.883 10 10 EFCERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156323191 727907619 /nfs/dbraw/zinc/90/76/19/727907619.db2.gz AAQRNRWAUXOPQZ-KRWDZBQOSA-N 0 0 344.455 2.534 10 10 EFCERN COc1cccc(CNC(=O)Nc2cccc(C3OCCO3)c2)c1O ZINC000788024692 727932473 /nfs/dbraw/zinc/93/24/73/727932473.db2.gz QIPKXCHOLLDQOJ-UHFFFAOYSA-N 0 0 344.367 2.768 10 10 EFCERN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000055522345 727939342 /nfs/dbraw/zinc/93/93/42/727939342.db2.gz BRZFGWLPOXLXES-UHFFFAOYSA-N 0 0 343.402 2.604 10 10 EFCERN COc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000156707844 727950177 /nfs/dbraw/zinc/95/01/77/727950177.db2.gz GXZYCFQSPIQFTO-JKSUJKDBSA-N 0 0 327.380 2.569 10 10 EFCERN COc1cccc(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000927622376 727960468 /nfs/dbraw/zinc/96/04/68/727960468.db2.gz RYKMIBGWZDZWPX-ZDUSSCGKSA-N 0 0 336.432 2.794 10 10 EFCERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000183314066 728033561 /nfs/dbraw/zinc/03/35/61/728033561.db2.gz GXHFQOTXJNJUNM-BENRWUELSA-N 0 0 342.351 2.768 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cnc2ccccc2n1 ZINC000183482587 728117753 /nfs/dbraw/zinc/11/77/53/728117753.db2.gz PNHOVYAEQOPYRU-XOVSCCBYSA-N 0 0 349.390 2.802 10 10 EFCERN CN(C)c1ccc(CNC(=O)CCc2cc3ccccc3[nH]c2=O)cc1 ZINC000157322116 728134852 /nfs/dbraw/zinc/13/48/52/728134852.db2.gz INZPSKNUUXYYMH-UHFFFAOYSA-N 0 0 349.434 2.843 10 10 EFCERN COCCOc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000046844470 728323275 /nfs/dbraw/zinc/32/32/75/728323275.db2.gz AHTNJUZNHMEPJP-UHFFFAOYSA-N 0 0 344.411 2.759 10 10 EFCERN COc1ccc(N2CCN(Cn3nccc3-c3ccncc3)CC2)cc1 ZINC000171681233 728548032 /nfs/dbraw/zinc/54/80/32/728548032.db2.gz BQMZNHRSCYFQST-UHFFFAOYSA-N 0 0 349.438 2.733 10 10 EFCERN Cc1cc(CCNC(=O)N2CCOCC2)c(C)n1-c1ccccc1 ZINC000062576724 728586989 /nfs/dbraw/zinc/58/69/89/728586989.db2.gz JFCSMEVFOLVDEH-UHFFFAOYSA-N 0 0 327.428 2.678 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000172586535 728597544 /nfs/dbraw/zinc/59/75/44/728597544.db2.gz DWHVWZZCJGWIEC-ROUUACIJSA-N 0 0 331.460 2.636 10 10 EFCERN CC(C)Cn1ccnc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000173439646 728626698 /nfs/dbraw/zinc/62/66/98/728626698.db2.gz FWWTWKHDJJDNFY-UHFFFAOYSA-N 0 0 329.448 2.605 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1cccc(O)c1 ZINC000063866460 728652365 /nfs/dbraw/zinc/65/23/65/728652365.db2.gz VKVLKEWSPQQPLQ-UHFFFAOYSA-N 0 0 335.363 2.929 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000919082099 728969316 /nfs/dbraw/zinc/96/93/16/728969316.db2.gz UQQZEQXILWALEG-XGBSXSJOSA-N 0 0 347.459 2.543 10 10 EFCERN Cc1cc(CC(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000919933722 729113787 /nfs/dbraw/zinc/11/37/87/729113787.db2.gz MOLYVOQBRZWQGY-UHFFFAOYSA-N 0 0 347.846 2.670 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H](CCCO)c1ccccc1 ZINC000920063119 729133264 /nfs/dbraw/zinc/13/32/64/729133264.db2.gz AXNBBXMLLOXSAL-INIZCTEOSA-N 0 0 332.375 2.844 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000155183742 729142068 /nfs/dbraw/zinc/14/20/68/729142068.db2.gz JREUUMUHGMUMKV-UHFFFAOYSA-N 0 0 329.404 2.692 10 10 EFCERN CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC000921450752 729460371 /nfs/dbraw/zinc/46/03/71/729460371.db2.gz DTWYJOAZHHFHJG-INIZCTEOSA-N 0 0 345.436 2.546 10 10 EFCERN C[C@H](COC1CCCC1)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921452790 729460792 /nfs/dbraw/zinc/46/07/92/729460792.db2.gz ZPOZQRWHPYRVDD-GFCCVEGCSA-N 0 0 345.436 2.546 10 10 EFCERN CN(C)c1ccc(CNCc2csc(-c3ccn(C)n3)n2)cc1 ZINC000921496771 729505259 /nfs/dbraw/zinc/50/52/59/729505259.db2.gz ZWDCYOHAYRMKRQ-UHFFFAOYSA-N 0 0 327.457 2.899 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000068086563 729616683 /nfs/dbraw/zinc/61/66/83/729616683.db2.gz IEHGGPMAZHVTML-NSHDSACASA-N 0 0 329.429 2.566 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000170880735 729713284 /nfs/dbraw/zinc/71/32/84/729713284.db2.gz JRDNMROETFVGQU-IAQYHMDHSA-N 0 0 328.368 2.895 10 10 EFCERN COC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000180656930 729763235 /nfs/dbraw/zinc/76/32/35/729763235.db2.gz PQKWKRWHEDIZRM-HOTGVXAUSA-N 0 0 348.468 2.829 10 10 EFCERN O=C(Cc1ccccc1Br)NCc1ccc(O)cc1O ZINC001570462291 1086257429 /nfs/dbraw/zinc/25/74/29/1086257429.db2.gz MKNCDHKFZLCJBA-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cnc2ccccc2n1 ZINC001570531814 1086317316 /nfs/dbraw/zinc/31/73/16/1086317316.db2.gz PPIYAIPEARXHFS-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(Cn2cccn2)o1 ZINC001570531844 1086318869 /nfs/dbraw/zinc/31/88/69/1086318869.db2.gz QLBBIPICKWSOJB-UHFFFAOYSA-N 0 0 348.362 2.708 10 10 EFCERN CCc1csc(CC(=O)NCc2ccc3cccnc3c2O)n1 ZINC001570533596 1086324585 /nfs/dbraw/zinc/32/45/85/1086324585.db2.gz JKGJZHOAOHPZAK-UHFFFAOYSA-N 0 0 327.409 2.818 10 10 EFCERN O=C(C[C@H]1Cc2ccccc2O1)NCc1ccc2cccnc2c1O ZINC001570533900 1086325547 /nfs/dbraw/zinc/32/55/47/1086325547.db2.gz WCRHPNRVCWYMSF-MRXNPFEDSA-N 0 0 334.375 2.950 10 10 EFCERN CC[C@@H](C)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC ZINC001570699232 1086466389 /nfs/dbraw/zinc/46/63/89/1086466389.db2.gz QFFUZQDDXOJXFT-MFKMUULPSA-N 0 0 334.376 2.557 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ncco1 ZINC001570760825 1086505586 /nfs/dbraw/zinc/50/55/86/1086505586.db2.gz AZUOWABRRVTHPA-HNNXBMFYSA-N 0 0 338.363 2.729 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc2c1OC(F)(F)O2 ZINC001646605628 1087914368 /nfs/dbraw/zinc/91/43/68/1087914368.db2.gz PXTHZHLTCFPAPI-ALCCZGGFSA-N 0 0 349.289 2.749 10 10 EFCERN O=C(CCc1nc2ccccc2s1)NCc1c(O)cccc1O ZINC001647177522 1089040749 /nfs/dbraw/zinc/04/07/49/1089040749.db2.gz CBXRJDRJQUQTFY-UHFFFAOYSA-N 0 0 328.393 2.957 10 10 EFCERN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1c(O)cccc1O ZINC001647268818 1089186213 /nfs/dbraw/zinc/18/62/13/1089186213.db2.gz DQWVTIQONXHUHC-LBPRGKRZSA-N 0 0 327.380 2.670 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(Br)cs1 ZINC001647270662 1089188485 /nfs/dbraw/zinc/18/84/85/1089188485.db2.gz WGIHKWHKVNSRSG-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(O)cccc1O ZINC001647269533 1089188955 /nfs/dbraw/zinc/18/89/55/1089188955.db2.gz GRJZBJAKJMVTDW-ZDUSSCGKSA-N 0 0 344.367 2.891 10 10 EFCERN O=C(NCc1c(O)cccc1O)C1(c2ccnc3ccccc32)CC1 ZINC001647289705 1089216241 /nfs/dbraw/zinc/21/62/41/1089216241.db2.gz HYIKCFSQRQHBPO-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2c(O)cccc2O)cc1Cl ZINC001647290254 1089216987 /nfs/dbraw/zinc/21/69/87/1089216987.db2.gz QEPFXRSRKMKZBC-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)cc1 ZINC001647808981 1089882014 /nfs/dbraw/zinc/88/20/14/1089882014.db2.gz MGIXFXYNHROOCA-CQSZACIVSA-N 0 0 342.359 2.997 10 10 EFCERN CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001647827011 1089889540 /nfs/dbraw/zinc/88/95/40/1089889540.db2.gz SKOKSFCUACMWPK-YBEGLDIGSA-N 0 0 344.798 2.839 10 10 EFCERN COC(=O)c1ccc2cc(CCNC(=O)C3=CC(=O)CS3)oc2c1 ZINC001647830040 1089889748 /nfs/dbraw/zinc/88/97/48/1089889748.db2.gz FYOQOJBQMRWCBS-UHFFFAOYSA-N 0 0 345.376 2.959 10 10 EFCERN O=C(Cc1cn2cc(F)ccc2n1)NCc1cccc(Cl)c1O ZINC001647830398 1089892089 /nfs/dbraw/zinc/89/20/89/1089892089.db2.gz VHXMWTZTJIXLBE-UHFFFAOYSA-N 0 0 333.750 2.691 10 10 EFCERN Cn1cnc2c1ccc1c2CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001648101727 1089941987 /nfs/dbraw/zinc/94/19/87/1089941987.db2.gz BAYWIAVGSDSQDL-UHFFFAOYSA-N 0 0 337.379 2.506 10 10 EFCERN CCC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC001648323939 1089980816 /nfs/dbraw/zinc/98/08/16/1089980816.db2.gz DCVPMIKCIKYLAD-UHFFFAOYSA-N 0 0 338.835 2.739 10 10 EFCERN CCOC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCCC1 ZINC001583136344 1091908283 /nfs/dbraw/zinc/90/82/83/1091908283.db2.gz ACAWBVWMWAWVFY-GOSISDBHSA-N 0 0 349.427 2.659 10 10 EFCERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)ccc1O ZINC001583818326 1092072232 /nfs/dbraw/zinc/07/22/32/1092072232.db2.gz ZMDUBCZNJWIBME-UHFFFAOYSA-N 0 0 336.731 2.649 10 10 EFCERN C=CC(=O)NCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001583816874 1092072700 /nfs/dbraw/zinc/07/27/00/1092072700.db2.gz NCBXJCRXTHMWJQ-UHFFFAOYSA-N 0 0 344.798 2.778 10 10 EFCERN Cc1cnn(Cc2cc(C(=O)NCc3cccc(Cl)c3O)no2)c1 ZINC001648606117 1092239159 /nfs/dbraw/zinc/23/91/59/1092239159.db2.gz IREGPJFMRVUPQE-UHFFFAOYSA-N 0 0 346.774 2.517 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001648693093 1092252905 /nfs/dbraw/zinc/25/29/05/1092252905.db2.gz NTDFNTPTPGVAEA-UHFFFAOYSA-N 0 0 326.396 2.648 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC001585108370 1092371768 /nfs/dbraw/zinc/37/17/68/1092371768.db2.gz DJWZKSILXWGGFL-HNNXBMFYSA-N 0 0 349.390 2.630 10 10 EFCERN C[C@@H](NC(=O)c1cnc(-c2ncccn2)s1)c1ccccc1O ZINC001587445257 1092812925 /nfs/dbraw/zinc/81/29/25/1092812925.db2.gz YCSYAQVGUMZNFZ-SNVBAGLBSA-N 0 0 326.381 2.797 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2ncn(C)c2n1 ZINC001587551744 1092820670 /nfs/dbraw/zinc/82/06/70/1092820670.db2.gz BCKVLSJVFSSPPE-UHFFFAOYSA-N 0 0 349.438 2.841 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001588043801 1092886522 /nfs/dbraw/zinc/88/65/22/1092886522.db2.gz BZQOWZRCSWCMQD-UHFFFAOYSA-N 0 0 339.311 2.960 10 10 EFCERN CCOC(=O)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC001588155848 1092899081 /nfs/dbraw/zinc/89/90/81/1092899081.db2.gz IAXJQRBDCAEFNP-KRWDZBQOSA-N 0 0 327.380 2.698 10 10 EFCERN C[C@H]1C[NH2+]CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708125264 1093126169 /nfs/dbraw/zinc/12/61/69/1093126169.db2.gz NVZLXYARDRZXBD-VIFPVBQESA-N 0 0 333.657 2.849 10 10 EFCERN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[N@@H+]1C ZINC000708141152 1093169109 /nfs/dbraw/zinc/16/91/09/1093169109.db2.gz QOIRYOJUCBHHTL-SECBINFHSA-N 0 0 333.657 2.944 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(F)ccc1Br ZINC001651223030 1093540412 /nfs/dbraw/zinc/54/04/12/1093540412.db2.gz WRPGGZFPNZFTCC-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1C1CCOCC1 ZINC001651225255 1093542564 /nfs/dbraw/zinc/54/25/64/1093542564.db2.gz CAZMFQRGBCAVBQ-UHFFFAOYSA-N 0 0 344.411 2.798 10 10 EFCERN COc1ccc(-c2ocnc2C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225397 1093542767 /nfs/dbraw/zinc/54/27/67/1093542767.db2.gz HVHUOOWKMKAUMO-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN Cc1ccccc1C1(C(=O)NCc2cc(O)ccc2O)CCOCC1 ZINC001593872733 1094412702 /nfs/dbraw/zinc/41/27/02/1094412702.db2.gz BUMHCRZEMVSCDW-UHFFFAOYSA-N 0 0 341.407 2.771 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001593881833 1094413520 /nfs/dbraw/zinc/41/35/20/1094413520.db2.gz OLTZOTMCAUSLDY-HNNXBMFYSA-N 0 0 335.306 2.814 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC001595493839 1094473742 /nfs/dbraw/zinc/47/37/42/1094473742.db2.gz LEUKNXHEUBDENI-CZUORRHYSA-N 0 0 348.428 2.634 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cnccc1Nc1ccccc1 ZINC001595595802 1094478284 /nfs/dbraw/zinc/47/82/84/1094478284.db2.gz LBBFLXBLYQLZAZ-UHFFFAOYSA-N 0 0 335.363 2.588 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001595595287 1094478821 /nfs/dbraw/zinc/47/88/21/1094478821.db2.gz ANXBHIFCGAVGLN-HNNXBMFYSA-N 0 0 335.306 2.814 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c(O)c1 ZINC001595751964 1094490919 /nfs/dbraw/zinc/49/09/19/1094490919.db2.gz KPZYIEOJNMKBLK-UHFFFAOYSA-N 0 0 341.285 2.795 10 10 EFCERN Nc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595753018 1094491322 /nfs/dbraw/zinc/49/13/22/1094491322.db2.gz WLXHYUNELWXFPC-UHFFFAOYSA-N 0 0 340.301 2.671 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cn2)c1 ZINC001595806707 1094495726 /nfs/dbraw/zinc/49/57/26/1094495726.db2.gz SGJWXGQRFYGOML-NSHDSACASA-N 0 0 338.367 2.677 10 10 EFCERN Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1c(O)cccc1F ZINC001596916579 1094553406 /nfs/dbraw/zinc/55/34/06/1094553406.db2.gz JGRVAPMZVSCMAX-UHFFFAOYSA-N 0 0 340.354 2.622 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)[C@@H](C)O1 ZINC000782952487 1094557450 /nfs/dbraw/zinc/55/74/50/1094557450.db2.gz CCUAIWZZLFAFHB-QLFBSQMISA-N 0 0 331.460 2.776 10 10 EFCERN COc1ccc(SCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001597569911 1094599968 /nfs/dbraw/zinc/59/99/68/1094599968.db2.gz WGVLLLQPWIOSGV-UHFFFAOYSA-N 0 0 333.409 2.905 10 10 EFCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1c(O)cccc1O ZINC001597573265 1094603216 /nfs/dbraw/zinc/60/32/16/1094603216.db2.gz BHLWQXIECXQXLZ-GFCCVEGCSA-N 0 0 337.379 2.536 10 10 EFCERN O=C(c1cccc(O)c1O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC001597704149 1094615691 /nfs/dbraw/zinc/61/56/91/1094615691.db2.gz MXXIRXGTAIJUMC-INIZCTEOSA-N 0 0 327.380 2.511 10 10 EFCERN CSc1ncc(C(=O)NCc2c(O)ccc3ccccc32)c(=O)[nH]1 ZINC001597741858 1094619087 /nfs/dbraw/zinc/61/90/87/1094619087.db2.gz DHYDKIBCQJNSQT-UHFFFAOYSA-N 0 0 341.392 2.693 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(OC)n1 ZINC001597780484 1094622534 /nfs/dbraw/zinc/62/25/34/1094622534.db2.gz HUBJQGNLLPPUDY-UHFFFAOYSA-N 0 0 327.428 2.747 10 10 EFCERN CON(C)C1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001597978795 1094644722 /nfs/dbraw/zinc/64/47/22/1094644722.db2.gz JMZPRGYSRDDNMI-UHFFFAOYSA-N 0 0 327.428 2.720 10 10 EFCERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)[C@@H](C)O1 ZINC000782976188 1094655714 /nfs/dbraw/zinc/65/57/14/1094655714.db2.gz GJMYEWDFUNOFRM-GRYCIOLGSA-N 0 0 329.491 2.833 10 10 EFCERN O=C(CC1CCCC1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789222 1095510350 /nfs/dbraw/zinc/51/03/50/1095510350.db2.gz QOHKKPAFGLTEFQ-UHFFFAOYSA-N 0 0 344.455 2.825 10 10 EFCERN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCC1 ZINC001603310378 1096502150 /nfs/dbraw/zinc/50/21/50/1096502150.db2.gz KODYRVWUEOJLBX-UHFFFAOYSA-N 0 0 344.459 2.734 10 10 EFCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccccc2O)cc1C ZINC001268515631 1097113090 /nfs/dbraw/zinc/11/30/90/1097113090.db2.gz XKZIVJKUVNWKCN-WAYWQWQTSA-N 0 0 340.423 2.785 10 10 EFCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc(C)sn2)cc1C ZINC001268533350 1097140185 /nfs/dbraw/zinc/14/01/85/1097140185.db2.gz OTWRHAZYACQQJT-PLNGDYQASA-N 0 0 345.468 2.844 10 10 EFCERN CCOC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)nc1C ZINC001606859761 1097463380 /nfs/dbraw/zinc/46/33/80/1097463380.db2.gz AEYXJYPVMGZAJZ-UHFFFAOYSA-N 0 0 348.786 2.856 10 10 EFCERN Cc1ccccc1-n1cc(C(=O)NCc2cccc(Cl)c2O)nn1 ZINC001606870592 1097465253 /nfs/dbraw/zinc/46/52/53/1097465253.db2.gz ZPOUMHXHBHPVHR-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN CCOC(=O)c1cnc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC001609918064 1098494111 /nfs/dbraw/zinc/49/41/11/1098494111.db2.gz OBFRPHAIKBOTBI-UHFFFAOYSA-N 0 0 348.786 2.890 10 10 EFCERN O=C(NCCCSc1nccs1)c1c(F)ccc(O)c1O ZINC001610392891 1098651659 /nfs/dbraw/zinc/65/16/59/1098651659.db2.gz PCXKKLPNBLRNMM-UHFFFAOYSA-N 0 0 328.390 2.606 10 10 EFCERN CN(C)c1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001610900587 1098961252 /nfs/dbraw/zinc/96/12/52/1098961252.db2.gz RRZFTAFVKGODOT-UHFFFAOYSA-N 0 0 339.399 2.888 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC001611430485 1099011101 /nfs/dbraw/zinc/01/11/01/1099011101.db2.gz DHCCUHRVLKFKFG-IAQYHMDHSA-N 0 0 349.814 2.575 10 10 EFCERN Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001611963673 1099039883 /nfs/dbraw/zinc/03/98/83/1099039883.db2.gz XCNVJLHIHYOLAR-GASCZTMLSA-N 0 0 343.475 2.623 10 10 EFCERN COC(=O)c1cnc(Sc2ncncc2Br)s1 ZINC001612423033 1099056704 /nfs/dbraw/zinc/05/67/04/1099056704.db2.gz LIOIPZUWDTXTOO-UHFFFAOYSA-N 0 0 332.204 2.633 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCO[C@H](C)C1 ZINC001612538281 1099063333 /nfs/dbraw/zinc/06/33/33/1099063333.db2.gz UHEOFYFWOJYYMR-HIFRSBDPSA-N 0 0 330.432 2.744 10 10 EFCERN C[C@@H]1C[C@H]1n1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001612708814 1099075215 /nfs/dbraw/zinc/07/52/15/1099075215.db2.gz XTNKUJMPDVKOHA-IUODEOHRSA-N 0 0 338.415 2.602 10 10 EFCERN COc1ccc(N(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1Cl ZINC001616055512 1099168896 /nfs/dbraw/zinc/16/88/96/1099168896.db2.gz BQCCPDMBFLFZIR-GFCCVEGCSA-N 0 0 340.851 2.811 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)C3=C[S@@](=O)CCC3)cc2)CC1 ZINC001616695269 1099189557 /nfs/dbraw/zinc/18/95/57/1099189557.db2.gz OHGSVQXKIXLYHK-DEOSSOPVSA-N 0 0 346.496 2.966 10 10 EFCERN COc1nscc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001616866021 1099198737 /nfs/dbraw/zinc/19/87/37/1099198737.db2.gz UYPZHEADJZYCBT-ZDUSSCGKSA-N 0 0 333.457 2.839 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001616892200 1099200738 /nfs/dbraw/zinc/20/07/38/1099200738.db2.gz OXPXAAKZAQDPTD-QFBILLFUSA-N 0 0 332.444 2.680 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1CC1(O)CC1 ZINC001617941315 1099267802 /nfs/dbraw/zinc/26/78/02/1099267802.db2.gz WFILXQYLMFGIPM-UHFFFAOYSA-N 0 0 344.459 2.734 10 10 EFCERN COCCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001619847265 1099338282 /nfs/dbraw/zinc/33/82/82/1099338282.db2.gz NHHWNNXYZAXKTH-UHFFFAOYSA-N 0 0 330.432 2.924 10 10 EFCERN COc1ccc(N2CCN(CCOCC3CCC3)CC2)c(OC)c1 ZINC001620515825 1099355260 /nfs/dbraw/zinc/35/52/60/1099355260.db2.gz XMFNMHXAUFRPNJ-UHFFFAOYSA-N 0 0 334.460 2.643 10 10 EFCERN Cc1ccccc1[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001622359349 1099504520 /nfs/dbraw/zinc/50/45/20/1099504520.db2.gz MAQGFOUMRGAVKW-OAHLLOKOSA-N 0 0 326.356 2.621 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001622664429 1099534505 /nfs/dbraw/zinc/53/45/05/1099534505.db2.gz UHFUKPPQHHLTPE-UHFFFAOYSA-N 0 0 342.351 2.744 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1 ZINC001622798082 1099543059 /nfs/dbraw/zinc/54/30/59/1099543059.db2.gz AEAHTRDDVXNLRM-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccc(-n3cc[nH]c3=O)c2)cc1 ZINC001623316476 1099574151 /nfs/dbraw/zinc/57/41/51/1099574151.db2.gz VONGSBDQDMRZOW-UHFFFAOYSA-N 0 0 336.395 2.574 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H](O)C(C)(C)CC)CC2)cc1 ZINC001623430335 1099586554 /nfs/dbraw/zinc/58/65/54/1099586554.db2.gz YOCOHRAPLDEIAK-KRWDZBQOSA-N 0 0 334.460 2.531 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001623573826 1099603401 /nfs/dbraw/zinc/60/34/01/1099603401.db2.gz FQYXNJIOXBVNRQ-UHFFFAOYSA-N 0 0 332.356 2.791 10 10 EFCERN Cc1ccccc1[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001623776339 1099624060 /nfs/dbraw/zinc/62/40/60/1099624060.db2.gz UBJOPKCHOMKQPK-OAHLLOKOSA-N 0 0 326.356 2.621 10 10 EFCERN Cc1ccc(C(=O)NCc2cnc(Br)s2)c(O)c1O ZINC001623955677 1099644721 /nfs/dbraw/zinc/64/47/21/1099644721.db2.gz HOEMUTCOUGKZMB-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN COc1cncc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001624075691 1099657536 /nfs/dbraw/zinc/65/75/36/1099657536.db2.gz YNBFEJBSLMTACH-UHFFFAOYSA-N 0 0 336.395 2.823 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC1(Cc2ccccc2)CCOCC1 ZINC001624143898 1099664673 /nfs/dbraw/zinc/66/46/73/1099664673.db2.gz NLKUSAFTHMJYEW-UHFFFAOYSA-N 0 0 341.407 2.548 10 10 EFCERN COC(=O)Nc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001624679579 1099719777 /nfs/dbraw/zinc/71/97/77/1099719777.db2.gz KALIVVRFNIOBLX-UHFFFAOYSA-N 0 0 330.340 2.515 10 10 EFCERN COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001624760372 1099728536 /nfs/dbraw/zinc/72/85/36/1099728536.db2.gz QGICKPAXNIOHBB-UHFFFAOYSA-N 0 0 330.365 2.646 10 10 EFCERN O=C(c1ccnc2c1CC(=O)N2)N1CCCSc2ccccc21 ZINC001625063714 1099765999 /nfs/dbraw/zinc/76/59/99/1099765999.db2.gz DRJXVCITVPWCOT-UHFFFAOYSA-N 0 0 325.393 2.719 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=C[S@@](=O)CCC1 ZINC001625241444 1099786554 /nfs/dbraw/zinc/78/65/54/1099786554.db2.gz ZUZZYPQTXHVKTR-QHCPKHFHSA-N 0 0 334.485 2.916 10 10 EFCERN CO[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC001625279252 1099789172 /nfs/dbraw/zinc/78/91/72/1099789172.db2.gz BMXQKGBASLBHGV-JTQLQIEISA-N 0 0 332.282 2.546 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 ZINC001625668639 1099837525 /nfs/dbraw/zinc/83/75/25/1099837525.db2.gz OTOJWJSDTRMFSQ-BMLIUANNSA-N 0 0 333.409 2.521 10 10 EFCERN CNC(=O)c1cccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC001626356295 1099863894 /nfs/dbraw/zinc/86/38/94/1099863894.db2.gz YIPJFHPNOSPQCQ-VQHVLOKHSA-N 0 0 329.787 2.771 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001626723062 1099910072 /nfs/dbraw/zinc/91/00/72/1099910072.db2.gz RQNDGUOWSIWOFM-REZMZDAPSA-N 0 0 346.471 2.816 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccc(F)cc2)no1 ZINC001626850476 1099925252 /nfs/dbraw/zinc/92/52/52/1099925252.db2.gz WMGHVCYZYCFAKJ-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)CC2CCCCC2)cc1 ZINC001626954461 1099939977 /nfs/dbraw/zinc/93/99/77/1099939977.db2.gz BUOXFTFQUVQIAM-HNNXBMFYSA-N 0 0 332.404 2.910 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccncn2)cc1 ZINC001626953736 1099940620 /nfs/dbraw/zinc/94/06/20/1099940620.db2.gz DYTHVQCRHQZGPS-UHFFFAOYSA-N 0 0 348.406 2.556 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1OCCc2ccccc21 ZINC001627073860 1099954346 /nfs/dbraw/zinc/95/43/46/1099954346.db2.gz YDKINVACCCDKQZ-IBGZPJMESA-N 0 0 334.375 2.871 10 10 EFCERN CCOc1nccc(C)c1C(=O)NCc1ccc2cccnc2c1O ZINC001627072555 1099954652 /nfs/dbraw/zinc/95/46/52/1099954652.db2.gz ASWFDQUQOKZLKC-UHFFFAOYSA-N 0 0 337.379 2.973 10 10 EFCERN CC(C)COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccco1 ZINC001627607586 1100015345 /nfs/dbraw/zinc/01/53/45/1100015345.db2.gz RDGBGYIWYIIONC-AWEZNQCLSA-N 0 0 333.384 2.763 10 10 EFCERN Cn1c(CNC(=O)c2ccc(N=NC(N)=O)cc2)nc2ccccc21 ZINC001628014237 1100050691 /nfs/dbraw/zinc/05/06/91/1100050691.db2.gz VLDOSWYGVTYEIN-UHFFFAOYSA-N 0 0 336.355 2.666 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2ncc[nH]2)c1 ZINC001628128466 1100065029 /nfs/dbraw/zinc/06/50/29/1100065029.db2.gz VQFUOOMDQOMTKK-UHFFFAOYSA-N 0 0 336.395 2.602 10 10 EFCERN NC(=O)c1cc(Br)ccc1NC(=O)C1=CC(=O)CS1 ZINC001628437908 1100102122 /nfs/dbraw/zinc/10/21/22/1100102122.db2.gz VOYDEMFDIPHNFJ-UHFFFAOYSA-N 0 0 341.186 2.567 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(Nc2ccccc2)CC1 ZINC001628515259 1100109711 /nfs/dbraw/zinc/10/97/11/1100109711.db2.gz DUKPNYGTYMFERN-UHFFFAOYSA-N 0 0 326.396 2.743 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC001628788094 1100135361 /nfs/dbraw/zinc/13/53/61/1100135361.db2.gz PGAVPDYAHNBRDW-SFHVURJKSA-N 0 0 343.379 2.614 10 10 EFCERN CN(C[C@H](O)Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628824686 1100139699 /nfs/dbraw/zinc/13/96/99/1100139699.db2.gz BWKCLEKDLAVODQ-MRXNPFEDSA-N 0 0 340.383 2.525 10 10 EFCERN CC(C)NC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628951387 1100152074 /nfs/dbraw/zinc/15/20/74/1100152074.db2.gz WDDSSUZJLCSKBL-UHFFFAOYSA-N 0 0 345.487 2.940 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC001629177069 1100176300 /nfs/dbraw/zinc/17/63/00/1100176300.db2.gz XHOLQFLTBWGRJQ-ZDUSSCGKSA-N 0 0 346.778 2.786 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2ncc[nH]2)c2ccc(F)cc2)c(O)c1O ZINC001629468719 1100212903 /nfs/dbraw/zinc/21/29/03/1100212903.db2.gz ABUGDGFNIOZDAM-AWEZNQCLSA-N 0 0 341.342 2.788 10 10 EFCERN COC(=O)[C@H](C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC001629556931 1100223874 /nfs/dbraw/zinc/22/38/74/1100223874.db2.gz DFEWTBUBLUOYFN-QMMMGPOBSA-N 0 0 339.344 2.785 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC001629737215 1100242339 /nfs/dbraw/zinc/24/23/39/1100242339.db2.gz VGYGBWMPRXVMNT-UHFFFAOYSA-N 0 0 327.409 2.985 10 10 EFCERN COC(=O)Nc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC001630115036 1100276348 /nfs/dbraw/zinc/27/63/48/1100276348.db2.gz FDVLBGAXORBFOA-UITAMQMPSA-N 0 0 342.351 2.606 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2nc3cnccc3s2)c1 ZINC001630366887 1100298385 /nfs/dbraw/zinc/29/83/85/1100298385.db2.gz YVRATYGWOIVRMP-VIFPVBQESA-N 0 0 329.381 2.897 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2csc(-c3ncc[nH]3)n2)c1 ZINC001630373458 1100300597 /nfs/dbraw/zinc/30/05/97/1100300597.db2.gz RGHUDRYGNZYPDO-VIFPVBQESA-N 0 0 344.396 2.738 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC(OCCCc2ccccc2)C1 ZINC001630402284 1100302387 /nfs/dbraw/zinc/30/23/87/1100302387.db2.gz HYRSAWOSLVEWFO-UHFFFAOYSA-N 0 0 341.407 2.501 10 10 EFCERN CC(C)c1nc([C@@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)no1 ZINC001630517165 1100314234 /nfs/dbraw/zinc/31/42/34/1100314234.db2.gz YYLFUDNCUILWKN-ZDUSSCGKSA-N 0 0 345.399 2.901 10 10 EFCERN Cc1cccc2nc(C(=O)NCc3ccc4cccnc4c3O)cn21 ZINC001630527633 1100314489 /nfs/dbraw/zinc/31/44/89/1100314489.db2.gz MAVNCSGVUKUAAE-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN C[C@@H]1CCc2[nH]nc(C(=O)NCc3ccc4cccnc4c3O)c2C1 ZINC001630532107 1100315396 /nfs/dbraw/zinc/31/53/96/1100315396.db2.gz HGLVCFLMTRTAOX-LLVKDONJSA-N 0 0 336.395 2.718 10 10 EFCERN CN(c1ccccc1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001630543669 1100316666 /nfs/dbraw/zinc/31/66/66/1100316666.db2.gz HREATLWFOMKTFD-UHFFFAOYSA-N 0 0 340.423 2.768 10 10 EFCERN CCN(C(=O)c1cccc(O)c1O)[C@@H](COC)Cc1ccccc1 ZINC001630697146 1100330673 /nfs/dbraw/zinc/33/06/73/1100330673.db2.gz BAUXTVFIAJZTNM-OAHLLOKOSA-N 0 0 329.396 2.818 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H](C)c3ccccn3)CC2)cc1 ZINC001630714003 1100332966 /nfs/dbraw/zinc/33/29/66/1100332966.db2.gz XBJPXPRUJGMQCA-MRXNPFEDSA-N 0 0 339.439 2.933 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1nc[nH]n1 ZINC001630881784 1100348550 /nfs/dbraw/zinc/34/85/50/1100348550.db2.gz LDDSUGCFIFTPKQ-GFCCVEGCSA-N 0 0 337.383 2.516 10 10 EFCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001631071770 1100367247 /nfs/dbraw/zinc/36/72/47/1100367247.db2.gz YCZRJJBYGWMMJF-CYBMUJFWSA-N 0 0 348.403 2.945 10 10 EFCERN C/C=C/COc1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1 ZINC001631433668 1100397958 /nfs/dbraw/zinc/39/79/58/1100397958.db2.gz FHHPDFZODSNGLI-NSCUHMNNSA-N 0 0 327.380 2.912 10 10 EFCERN C/C=C\COc1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1 ZINC001631433667 1100398524 /nfs/dbraw/zinc/39/85/24/1100398524.db2.gz FHHPDFZODSNGLI-IHWYPQMZSA-N 0 0 327.380 2.912 10 10 EFCERN COc1cccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)on2)c1 ZINC001631438262 1100398958 /nfs/dbraw/zinc/39/89/58/1100398958.db2.gz BJHDCECUPQYHBE-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN COc1ccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)no2)cc1 ZINC001631438970 1100399214 /nfs/dbraw/zinc/39/92/14/1100399214.db2.gz QPMSFNGGYJZKKS-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001631434257 1100399454 /nfs/dbraw/zinc/39/94/54/1100399454.db2.gz NSBPNPFAEHSQBT-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CC(=O)Nc1cc(NC(=O)Cc2ccc(O)c(O)c2)c(F)cc1F ZINC001631479249 1100402860 /nfs/dbraw/zinc/40/28/60/1100402860.db2.gz DMYQUNYFCFPDHF-UHFFFAOYSA-N 0 0 336.294 2.516 10 10 EFCERN Cn1nc(C(=O)NCc2ccccc2O)cc1-c1ccc(F)cc1 ZINC001631540304 1100408785 /nfs/dbraw/zinc/40/87/85/1100408785.db2.gz SQTDAHDVRAWUCZ-UHFFFAOYSA-N 0 0 325.343 2.862 10 10 EFCERN COc1cccc(CNC(=O)c2cc3cc(O)ccc3nc2C)c1O ZINC001631540509 1100408953 /nfs/dbraw/zinc/40/89/53/1100408953.db2.gz SYJWVRYGYILYKO-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN O=C(NCc1ccccc1O)c1cnc(F)c(Br)c1 ZINC001631540126 1100409047 /nfs/dbraw/zinc/40/90/47/1100409047.db2.gz JXIGUYOVAJEGSH-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN Cn1cc(-c2nc3ccccn3c2NC(=O)C2=CC(=O)CS2)cn1 ZINC001631559055 1100409643 /nfs/dbraw/zinc/40/96/43/1100409643.db2.gz YYKZHBPSBAAIPI-UHFFFAOYSA-N 0 0 339.380 2.754 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCCCOCc1ccccc1 ZINC001631687492 1100419275 /nfs/dbraw/zinc/41/92/75/1100419275.db2.gz KUWOBVIBCOBMIX-UHFFFAOYSA-N 0 0 329.396 2.754 10 10 EFCERN C[C@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1O ZINC001632250383 1100462808 /nfs/dbraw/zinc/46/28/08/1100462808.db2.gz RSROBVOWLLIBPY-NSHDSACASA-N 0 0 327.340 2.845 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001632390983 1100470348 /nfs/dbraw/zinc/47/03/48/1100470348.db2.gz DVWOXZPKVFZMTQ-CQSZACIVSA-N 0 0 347.333 2.647 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NC1CCC(O)(c2ccccc2)CC1 ZINC001632382855 1100470527 /nfs/dbraw/zinc/47/05/27/1100470527.db2.gz LSGFSGLEQUXWJD-UHFFFAOYSA-N 0 0 341.407 2.587 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cc1 ZINC001632457980 1100476730 /nfs/dbraw/zinc/47/67/30/1100476730.db2.gz RJPPWWFLQKKWOM-UHFFFAOYSA-N 0 0 335.323 2.943 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(C=O)c[nH]c2c1 ZINC001632681097 1100493128 /nfs/dbraw/zinc/49/31/28/1100493128.db2.gz MYVPDSYKANKPOS-LLVKDONJSA-N 0 0 338.363 2.753 10 10 EFCERN O=C(Cc1csc(-c2ccccn2)n1)N1Cc2cccc(O)c2C1 ZINC001632704048 1100495323 /nfs/dbraw/zinc/49/53/23/1100495323.db2.gz VLUFMHMQSGBVAK-UHFFFAOYSA-N 0 0 337.404 2.996 10 10 EFCERN CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1-c1ccccn1 ZINC001633283215 1100533433 /nfs/dbraw/zinc/53/34/33/1100533433.db2.gz XNGUYLCIMLMVJL-UHFFFAOYSA-N 0 0 336.395 2.774 10 10 EFCERN Cc1ccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)c(O)c1O ZINC001633329732 1100536925 /nfs/dbraw/zinc/53/69/25/1100536925.db2.gz YRBYLZZUHXBLID-GOSISDBHSA-N 0 0 342.351 2.614 10 10 EFCERN O=C(Nc1cnc2nccn2c1)c1cc2cc(O)c(O)cc2s1 ZINC001633453110 1100542405 /nfs/dbraw/zinc/54/24/05/1100542405.db2.gz NPCBBZOMJONGRZ-UHFFFAOYSA-N 0 0 326.337 2.608 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1F ZINC001633515593 1100546288 /nfs/dbraw/zinc/54/62/88/1100546288.db2.gz HWIAGKSFVPYDCX-SECBINFHSA-N 0 0 334.303 2.565 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cscc1Br ZINC001633598992 1100552848 /nfs/dbraw/zinc/55/28/48/1100552848.db2.gz KFKCBACCIYRNMS-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1(c2cccc(F)c2)CCOCC1 ZINC001633595349 1100552853 /nfs/dbraw/zinc/55/28/53/1100552853.db2.gz SNCNFWDLQRAWHR-UHFFFAOYSA-N 0 0 345.370 2.602 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(Br)s1 ZINC001633595522 1100552990 /nfs/dbraw/zinc/55/29/90/1100552990.db2.gz ZSMNBBZGTZUSIE-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN Cc1ccc(-c2nc(CC(=O)NCc3cc(O)ccc3O)cs2)o1 ZINC001633595104 1100553150 /nfs/dbraw/zinc/55/31/50/1100553150.db2.gz IKXUAFNRFRFODA-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN COc1cccc([C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)OC)c1 ZINC001633713278 1100560392 /nfs/dbraw/zinc/56/03/92/1100560392.db2.gz LLBPSAKWXVHLFP-CNRGFGOASA-N 0 0 343.379 2.624 10 10 EFCERN O=C(N[C@@H](CO)CC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001633775827 1100565079 /nfs/dbraw/zinc/56/50/79/1100565079.db2.gz UGZLCFWWKGLPTF-GFCCVEGCSA-N 0 0 335.425 2.984 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)nc1 ZINC001633876838 1100571555 /nfs/dbraw/zinc/57/15/55/1100571555.db2.gz NBMMTVPIZMUVQJ-VIFPVBQESA-N 0 0 340.301 2.932 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C)nc(NC3CC3)c2)c(O)c1 ZINC001633926525 1100574640 /nfs/dbraw/zinc/57/46/40/1100574640.db2.gz GUHONBRZTHNGHI-UHFFFAOYSA-N 0 0 327.384 2.609 10 10 EFCERN CS(=O)(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC001634176927 1100589615 /nfs/dbraw/zinc/58/96/15/1100589615.db2.gz SEABTGYTORXEDD-UHFFFAOYSA-N 0 0 331.802 2.763 10 10 EFCERN Cc1cc(F)ncc1C(=O)NCc1cccc(Br)c1O ZINC001634724480 1100626309 /nfs/dbraw/zinc/62/63/09/1100626309.db2.gz BIXMCIRKOHFLQH-UHFFFAOYSA-N 0 0 339.164 2.927 10 10 EFCERN COc1ccc(CNC(=O)c2cc(-c3cccc(O)c3)on2)c(O)c1 ZINC001635042816 1100641566 /nfs/dbraw/zinc/64/15/66/1100641566.db2.gz TZOTZKJOSUOJFZ-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(-n2cc[nH]c2=S)cc1 ZINC001635360140 1100656420 /nfs/dbraw/zinc/65/64/20/1100656420.db2.gz APYKKYPYJWAVQH-UHFFFAOYSA-N 0 0 343.383 2.936 10 10 EFCERN CCc1c(C(=O)NCc2c(O)cccc2F)cnn1-c1ccccn1 ZINC001635361201 1100656475 /nfs/dbraw/zinc/65/64/75/1100656475.db2.gz ZPTZGQNZCQEJKJ-UHFFFAOYSA-N 0 0 340.358 2.604 10 10 EFCERN Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2n1[C@@H](C)CO ZINC001635453783 1100663014 /nfs/dbraw/zinc/66/30/14/1100663014.db2.gz WWPJNKHRVVMGFX-JTQLQIEISA-N 0 0 341.367 2.562 10 10 EFCERN COC(=O)NCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001635502489 1100664638 /nfs/dbraw/zinc/66/46/38/1100664638.db2.gz QUWMUDNMCYPHNJ-UHFFFAOYSA-N 0 0 343.427 2.797 10 10 EFCERN CC1(C)CCC[C@@](O)(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001635546299 1100667385 /nfs/dbraw/zinc/66/73/85/1100667385.db2.gz AMTORJMPFLOFAR-WPGJWXSHSA-N 0 0 333.428 2.949 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001635658523 1100672662 /nfs/dbraw/zinc/67/26/62/1100672662.db2.gz ZDPZMKQJSUTAOO-UHFFFAOYSA-N 0 0 326.274 2.784 10 10 EFCERN C[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)c1ccccc1O ZINC001635799122 1100680696 /nfs/dbraw/zinc/68/06/96/1100680696.db2.gz QARKSIDNSLRZQO-NSHDSACASA-N 0 0 343.358 2.552 10 10 EFCERN COc1cccc(-c2cc(C(=O)NCc3c(O)cccc3O)on2)c1 ZINC001635846788 1100683799 /nfs/dbraw/zinc/68/37/99/1100683799.db2.gz BISCJFQXXYVRLP-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2s1 ZINC001635959957 1100689897 /nfs/dbraw/zinc/68/98/97/1100689897.db2.gz RFNPULABNHYYNB-UHFFFAOYSA-N 0 0 331.349 2.654 10 10 EFCERN Nc1c(C(=O)NCc2c(O)ccc3ccccc32)cccc1[N+](=O)[O-] ZINC001635965097 1100690198 /nfs/dbraw/zinc/69/01/98/1100690198.db2.gz MCHQXBPLLLEAIB-UHFFFAOYSA-N 0 0 337.335 2.966 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)C1(C(=O)NC2CC2)CCC1 ZINC001635965343 1100690301 /nfs/dbraw/zinc/69/03/01/1100690301.db2.gz WOLLMZMXZTUSMX-UHFFFAOYSA-N 0 0 338.407 2.611 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(O)c1Br ZINC001636029939 1100695557 /nfs/dbraw/zinc/69/55/57/1100695557.db2.gz KJUZVKNZMRDNHK-UHFFFAOYSA-N 0 0 338.157 2.747 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCn1nc(C)cc1C ZINC001636062488 1100697984 /nfs/dbraw/zinc/69/79/84/1100697984.db2.gz ABPJAJIDTPGGRA-UHFFFAOYSA-N 0 0 336.432 2.788 10 10 EFCERN COc1cccc(CNC(=O)c2ncc3cc(Cl)ccn32)c1O ZINC001636061605 1100698020 /nfs/dbraw/zinc/69/80/20/1100698020.db2.gz SPOUSDHNGQCRLU-UHFFFAOYSA-N 0 0 331.759 2.632 10 10 EFCERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1-c1cccc(C)c1 ZINC001636230409 1100707947 /nfs/dbraw/zinc/70/79/47/1100707947.db2.gz BQDWHDGKIWZSAO-UHFFFAOYSA-N 0 0 334.379 2.746 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H](O)CC[C@H]1C ZINC001636262417 1100709722 /nfs/dbraw/zinc/70/97/22/1100709722.db2.gz GPJZAJSAVMFTHA-IIDMSEBBSA-N 0 0 333.476 2.547 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(-c3ccccc3)n2)cc1 ZINC001636425072 1100718689 /nfs/dbraw/zinc/71/86/89/1100718689.db2.gz QMFBTNVMRVPVCZ-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)Cc3ccnc(F)c3)CC2)cc1 ZINC001636702343 1100733226 /nfs/dbraw/zinc/73/32/26/1100733226.db2.gz NSGCDMFMANCZID-UHFFFAOYSA-N 0 0 343.402 2.511 10 10 EFCERN Cc1cc(C(=O)N[C@H](CO)C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC001636742742 1100735353 /nfs/dbraw/zinc/73/53/53/1100735353.db2.gz MZNMCFICMBRLHA-CQSZACIVSA-N 0 0 344.308 2.886 10 10 EFCERN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001636871364 1100742895 /nfs/dbraw/zinc/74/28/95/1100742895.db2.gz OLDMOUDKUOLMIS-SECBINFHSA-N 0 0 329.360 2.987 10 10 EFCERN CCOc1ccc2cc(C(=O)NCc3cc(O)ccc3O)[nH]c2c1 ZINC001637123108 1100758496 /nfs/dbraw/zinc/75/84/96/1100758496.db2.gz WEVUFHFEMHWPFG-UHFFFAOYSA-N 0 0 326.352 2.908 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cc(C)ncn2)c1 ZINC001637781254 1100804925 /nfs/dbraw/zinc/80/49/25/1100804925.db2.gz MYKAVRRAHORPDW-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001638347035 1100850559 /nfs/dbraw/zinc/85/05/59/1100850559.db2.gz AYFITWFMVYIELM-LLVKDONJSA-N 0 0 338.363 2.713 10 10 EFCERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(O)cc1O ZINC001638352973 1100851401 /nfs/dbraw/zinc/85/14/01/1100851401.db2.gz XOOOWFXMFZNTAX-UHFFFAOYSA-N 0 0 345.355 2.515 10 10 EFCERN CN(CCc1ccc2c(c1)OCO2)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001638438208 1100859249 /nfs/dbraw/zinc/85/92/49/1100859249.db2.gz ZPNRFNYAUWHESB-DAXSKMNVSA-N 0 0 341.363 2.541 10 10 EFCERN CCCCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C ZINC001638428601 1100859308 /nfs/dbraw/zinc/85/93/08/1100859308.db2.gz BELGTGCXQZNMRJ-OLZOCXBDSA-N 0 0 325.380 2.951 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1csc(NC2CC2)n1 ZINC001638572929 1100870359 /nfs/dbraw/zinc/87/03/59/1100870359.db2.gz BEXZHNXYCSAUKK-UHFFFAOYSA-N 0 0 340.408 2.901 10 10 EFCERN CCOc1cccc(CC(=O)NCc2ccc3cccnc3c2O)n1 ZINC001638573397 1100870680 /nfs/dbraw/zinc/87/06/80/1100870680.db2.gz VJHBNLBEEYHTOP-UHFFFAOYSA-N 0 0 337.379 2.593 10 10 EFCERN Cn1ccc(-c2cc(C(=O)NCc3ccc4cccnc4c3O)[nH]n2)c1 ZINC001638573313 1100870717 /nfs/dbraw/zinc/87/07/17/1100870717.db2.gz RMCWNEHWZURUFN-UHFFFAOYSA-N 0 0 347.378 2.599 10 10 EFCERN Cn1cnc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC001638988012 1100902701 /nfs/dbraw/zinc/90/27/01/1100902701.db2.gz WXVDXJKAFWPAJN-UHFFFAOYSA-N 0 0 340.383 2.631 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CSc2ccccc2O1 ZINC001638999211 1100903640 /nfs/dbraw/zinc/90/36/40/1100903640.db2.gz WDYNBGPROVPFHS-WOLRVDTOSA-N 0 0 343.404 2.781 10 10 EFCERN CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(O)c(O)c2)nc1C ZINC001639293944 1100935022 /nfs/dbraw/zinc/93/50/22/1100935022.db2.gz MUJGMDCDWLSJKD-ALCCZGGFSA-N 0 0 348.380 2.691 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001639292515 1100935216 /nfs/dbraw/zinc/93/52/16/1100935216.db2.gz GJCDDMYOTORLEH-UWVGGRQHSA-N 0 0 337.297 2.935 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)cc1 ZINC001639320491 1100938758 /nfs/dbraw/zinc/93/87/58/1100938758.db2.gz DTPINHSUMCSPSG-AWEZNQCLSA-N 0 0 330.388 2.928 10 10 EFCERN CCOC(=O)C1(C(=O)NCc2c(O)ccc3ccccc32)CCC1 ZINC001639384701 1100943600 /nfs/dbraw/zinc/94/36/00/1100943600.db2.gz REFYFXYCPQWDPB-UHFFFAOYSA-N 0 0 327.380 2.895 10 10 EFCERN CCCC(=O)N1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639384635 1100943610 /nfs/dbraw/zinc/94/36/10/1100943610.db2.gz NPQHUMZIXFVNEI-KRWDZBQOSA-N 0 0 340.423 2.953 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccsc1Br ZINC001639444607 1100949224 /nfs/dbraw/zinc/94/92/24/1100949224.db2.gz RSMIEWDCEKNGID-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(O)cc1O ZINC001639444242 1100949597 /nfs/dbraw/zinc/94/95/97/1100949597.db2.gz CYBCNFCSYDMRAJ-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001639489353 1100955078 /nfs/dbraw/zinc/95/50/78/1100955078.db2.gz GYUWRZFPECCHFG-HNNXBMFYSA-N 0 0 335.400 2.730 10 10 EFCERN O=C(COc1ccccc1F)NCc1ccc2cccnc2c1O ZINC001639621674 1100967785 /nfs/dbraw/zinc/96/77/85/1100967785.db2.gz OQURIXIQGGWPJX-UHFFFAOYSA-N 0 0 326.327 2.775 10 10 EFCERN COC(=O)c1cc(N(Cc2ccco2)Cc2ccccc2O)ncn1 ZINC001639707460 1100976340 /nfs/dbraw/zinc/97/63/40/1100976340.db2.gz ZNMIYGQWHNIMPX-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000840300616 1100991134 /nfs/dbraw/zinc/99/11/34/1100991134.db2.gz GKDSKZROAKYRKG-GOSISDBHSA-N 0 0 331.460 2.772 10 10 EFCERN Cc1ccc(CN(CC2CC2)C(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001639883033 1100992770 /nfs/dbraw/zinc/99/27/70/1100992770.db2.gz DNWUMOWDFDEGGQ-UHFFFAOYSA-N 0 0 326.396 2.783 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1ncc(Br)cn1 ZINC001639969200 1100999617 /nfs/dbraw/zinc/99/96/17/1100999617.db2.gz VXNFEIZJUNVLGH-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cnnn1-c1cccc(F)c1 ZINC001639966352 1100999356 /nfs/dbraw/zinc/99/93/56/1100999356.db2.gz ZVAZXOOCLGKZTQ-UHFFFAOYSA-N 0 0 346.749 2.695 10 10 EFCERN Cc1ncccc1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001640222989 1101025212 /nfs/dbraw/zinc/02/52/12/1101025212.db2.gz CBCOYHQNIVTLLA-UHFFFAOYSA-N 0 0 328.393 2.988 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(Cl)c3N)C2)cc1 ZINC001640266236 1101030775 /nfs/dbraw/zinc/03/07/75/1101030775.db2.gz RYONFODWAHDHJU-GFCCVEGCSA-N 0 0 345.830 2.940 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCc1cscn1 ZINC001640260137 1101030784 /nfs/dbraw/zinc/03/07/84/1101030784.db2.gz RXIYHIZLLLKMBM-UHFFFAOYSA-N 0 0 343.470 2.884 10 10 EFCERN CCn1ccnc1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840384487 1101052767 /nfs/dbraw/zinc/05/27/67/1101052767.db2.gz HEAFUSMVFXUOMW-HNNXBMFYSA-N 0 0 343.475 2.708 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1 ZINC001640559239 1101059389 /nfs/dbraw/zinc/05/93/89/1101059389.db2.gz GXFUDCMNFGYWDU-BZUAXINKSA-N 0 0 339.439 2.832 10 10 EFCERN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CS1 ZINC000840414834 1101066917 /nfs/dbraw/zinc/06/69/17/1101066917.db2.gz UFUFVKZKYIZOKF-LDYMZIIASA-N 0 0 345.262 2.848 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2ccccc2N=S(C)(C)=O)c1 ZINC001640800149 1101079378 /nfs/dbraw/zinc/07/93/78/1101079378.db2.gz FRHVYDYIAITIJL-UHFFFAOYSA-N 0 0 332.425 2.990 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H](O)Cc1ccccc1Cl ZINC001640920238 1101087991 /nfs/dbraw/zinc/08/79/91/1101087991.db2.gz MLLZLNVXHJVKGJ-HNNXBMFYSA-N 0 0 340.206 2.919 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cnc(-c2ccccn2)nc1 ZINC001640924473 1101089428 /nfs/dbraw/zinc/08/94/28/1101089428.db2.gz NDNVOOSNXJRFCJ-UHFFFAOYSA-N 0 0 340.770 2.828 10 10 EFCERN COCCCn1cc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001641008993 1101095210 /nfs/dbraw/zinc/09/52/10/1101095210.db2.gz QLHWYIVGCGFHEM-UHFFFAOYSA-N 0 0 344.375 2.643 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnccc1C(F)(F)F ZINC001641017876 1101095823 /nfs/dbraw/zinc/09/58/23/1101095823.db2.gz UYDBHMKSAUHMCT-RQOWECAXSA-N 0 0 338.285 2.841 10 10 EFCERN CC(C)[C@@H](CO)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001641202284 1101113787 /nfs/dbraw/zinc/11/37/87/1101113787.db2.gz SDOZFQRJLXIBPZ-HUUCEWRRSA-N 0 0 334.420 2.868 10 10 EFCERN O=C(c1ccccc1-c1cn[nH]c1)N1C[C@H](CO)Cc2ccccc21 ZINC001641261419 1101119930 /nfs/dbraw/zinc/11/99/30/1101119930.db2.gz DHXQXNIQNZNECO-CQSZACIVSA-N 0 0 333.391 2.888 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2c[nH]cn2)c1 ZINC001641301565 1101123999 /nfs/dbraw/zinc/12/39/99/1101123999.db2.gz ZHPWNEIQKKIHJD-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN CCC(=O)c1ccc(NC(=O)C(=CC2=S=CC=C2)NC(C)=O)cc1 ZINC001641445782 1101135979 /nfs/dbraw/zinc/13/59/79/1101135979.db2.gz DBNQRCOBRPXSKW-WJDWOHSUSA-N 0 0 342.420 2.515 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2oc(CO)cc2c1 ZINC001641524536 1101143692 /nfs/dbraw/zinc/14/36/92/1101143692.db2.gz HQYCMIRXMOAXIK-QHHAFSJGSA-N 0 0 325.320 2.988 10 10 EFCERN Cc1cc(CN2CCN(C(=O)OCC(C)C)CC2)ccc1N(C)C ZINC001641669438 1101155140 /nfs/dbraw/zinc/15/51/40/1101155140.db2.gz AKDGYHBCGHEENE-UHFFFAOYSA-N 0 0 333.476 2.971 10 10 EFCERN O=C(NC[C@H]1CSc2ccccc2O1)c1c(F)ccc(O)c1O ZINC001641668564 1101155408 /nfs/dbraw/zinc/15/54/08/1101155408.db2.gz IMHVCCZIIYZTKS-VIFPVBQESA-N 0 0 335.356 2.520 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cnn(C)c2Cc2ccccc2)c1 ZINC001641733423 1101160921 /nfs/dbraw/zinc/16/09/21/1101160921.db2.gz VKXJAOZIXAPLKD-UHFFFAOYSA-N 0 0 335.407 2.955 10 10 EFCERN C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC001642823994 1101245458 /nfs/dbraw/zinc/24/54/58/1101245458.db2.gz APIFMIMXQGZAQO-GFCCVEGCSA-N 0 0 330.359 2.529 10 10 EFCERN Cc1ccc(O)c(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001642955081 1101259272 /nfs/dbraw/zinc/25/92/72/1101259272.db2.gz OCUOTMLTWSBAAZ-UHFFFAOYSA-N 0 0 336.369 2.624 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ncoc1-c1ccc(F)cc1 ZINC001643103967 1101271071 /nfs/dbraw/zinc/27/10/71/1101271071.db2.gz KBCVUPXSXZQJMS-UHFFFAOYSA-N 0 0 328.299 2.822 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c2c(ccc1F)OCO2 ZINC001643285360 1101286862 /nfs/dbraw/zinc/28/68/62/1101286862.db2.gz XLNHQFVSGXXWTL-UHFFFAOYSA-N 0 0 340.310 2.738 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1COc2ccccc2C1 ZINC001643282839 1101287095 /nfs/dbraw/zinc/28/70/95/1101287095.db2.gz BHYKYKMJFVZVEK-INIZCTEOSA-N 0 0 334.375 2.808 10 10 EFCERN CCNc1nc(C(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001643284768 1101287289 /nfs/dbraw/zinc/28/72/89/1101287289.db2.gz KTUQTFIXKHFQKX-UHFFFAOYSA-N 0 0 328.397 2.759 10 10 EFCERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1cccc(O)c1O ZINC001643482760 1101303186 /nfs/dbraw/zinc/30/31/86/1101303186.db2.gz CUOBOYOEKGZIET-APPDUMDISA-N 0 0 331.343 2.839 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cn1 ZINC001651339330 1101312823 /nfs/dbraw/zinc/31/28/23/1101312823.db2.gz RDILZUYBTMKSAB-UHFFFAOYSA-N 0 0 345.468 2.722 10 10 EFCERN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccnn1 ZINC001651685808 1101368234 /nfs/dbraw/zinc/36/82/34/1101368234.db2.gz GBWTVPRNQXQUAL-UHFFFAOYSA-N 0 0 325.397 2.608 10 10 EFCERN COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001625805993 1101445692 /nfs/dbraw/zinc/44/56/92/1101445692.db2.gz VFDYDWNOWCNMMU-CQSZACIVSA-N 0 0 335.787 2.798 10 10 EFCERN COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001625805992 1101445799 /nfs/dbraw/zinc/44/57/99/1101445799.db2.gz VFDYDWNOWCNMMU-AWEZNQCLSA-N 0 0 335.787 2.798 10 10 EFCERN O=C(Nc1ccccc1)c1ccc(NCc2cc(O)ccc2O)nn1 ZINC001652186511 1101448996 /nfs/dbraw/zinc/44/89/96/1101448996.db2.gz XMGBRPBNYQQCHW-UHFFFAOYSA-N 0 0 336.351 2.752 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1c[nH]c(=S)n1-c1ccccc1 ZINC001652295333 1101471080 /nfs/dbraw/zinc/47/10/80/1101471080.db2.gz ISKLQFGHOVUPHB-UHFFFAOYSA-N 0 0 343.383 2.936 10 10 EFCERN CCn1c(=O)[nH]c2cc(C(=O)NCc3c(O)cccc3F)ccc21 ZINC001652298259 1101471229 /nfs/dbraw/zinc/47/12/29/1101471229.db2.gz HMRAKSUNNNPZFQ-UHFFFAOYSA-N 0 0 329.331 2.537 10 10 EFCERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1c(O)cccc1F ZINC001652298684 1101471651 /nfs/dbraw/zinc/47/16/51/1101471651.db2.gz MZFBPWUOKVFESE-UHFFFAOYSA-N 0 0 333.750 2.920 10 10 EFCERN CCO[C@@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708505 1101532756 /nfs/dbraw/zinc/53/27/56/1101532756.db2.gz FFOFHNDHGIMEDA-HNAYVOBHSA-N 0 0 343.423 2.993 10 10 EFCERN CCOc1ccc(N2CCN([C@@H](C(=O)OC)[C@@H](C)CC)CC2)cc1 ZINC001652964688 1101571855 /nfs/dbraw/zinc/57/18/55/1101571855.db2.gz PMFMXBPWHZOJAN-MAUKXSAKSA-N 0 0 334.460 2.795 10 10 EFCERN CCc1nc2c(nccc2C(=O)NCc2cccc(Cl)c2O)[nH]1 ZINC001653567279 1101632202 /nfs/dbraw/zinc/63/22/02/1101632202.db2.gz SGWXOBVGOFGUPC-UHFFFAOYSA-N 0 0 330.775 2.809 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001653598047 1101635097 /nfs/dbraw/zinc/63/50/97/1101635097.db2.gz CWEPLKPITMLUAV-MRXNPFEDSA-N 0 0 341.407 2.970 10 10 EFCERN COC(=O)/C=C/[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001653870447 1101656722 /nfs/dbraw/zinc/65/67/22/1101656722.db2.gz OTTDNWBGVQSKOM-VNDWYCCKSA-N 0 0 340.423 2.871 10 10 EFCERN COC(=O)/C=C/[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001653870446 1101657476 /nfs/dbraw/zinc/65/74/76/1101657476.db2.gz OTTDNWBGVQSKOM-PLSXKVAHSA-N 0 0 340.423 2.871 10 10 EFCERN CCN(C)c1ccc(CN(CC(=O)NC)Cc2ccccc2)cc1 ZINC001654579939 1101735466 /nfs/dbraw/zinc/73/54/66/1101735466.db2.gz ZEBAVUQMMHYOTG-UHFFFAOYSA-N 0 0 325.456 2.891 10 10 EFCERN CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)C2)c1O ZINC001654865119 1101764931 /nfs/dbraw/zinc/76/49/31/1101764931.db2.gz ZCAFDPSXRKWUIJ-UHFFFAOYSA-N 0 0 328.343 2.688 10 10 EFCERN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1ccccc1O)O2 ZINC000690697390 1101957509 /nfs/dbraw/zinc/95/75/09/1101957509.db2.gz UTSCUSPDFJUIFA-HNNXBMFYSA-N 0 0 348.443 2.650 10 10 EFCERN COC(=O)c1cnc(CSc2ncc(-c3ccccc3)n2C)cn1 ZINC001656127916 1101969395 /nfs/dbraw/zinc/96/93/95/1101969395.db2.gz VETABRWWWKWTKW-UHFFFAOYSA-N 0 0 340.408 2.956 10 10 EFCERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408293 1101989011 /nfs/dbraw/zinc/98/90/11/1101989011.db2.gz CGMSHWDWDKUDEJ-AGEOTTOMSA-N 0 0 327.380 2.906 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)/C=C\c2cncc(O)c2)cc1 ZINC000588409206 1101999238 /nfs/dbraw/zinc/99/92/38/1101999238.db2.gz NEFDEZIABYFHNM-YFHOEESVSA-N 0 0 325.412 2.963 10 10 EFCERN COC(=O)c1cc(OC[C@H]2CCC[C@@]3(CCOC3)O2)ccc1N(C)C ZINC001656826017 1102215186 /nfs/dbraw/zinc/21/51/86/1102215186.db2.gz LAQNUNCVESHCGQ-BEFAXECRSA-N 0 0 349.427 2.646 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001167290995 1102321812 /nfs/dbraw/zinc/32/18/12/1102321812.db2.gz PEIDESAIMNQBTK-GFCCVEGCSA-N 0 0 346.814 2.789 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)c1 ZINC001167293515 1102340620 /nfs/dbraw/zinc/34/06/20/1102340620.db2.gz HGLBLZJEEAMAFV-CYBMUJFWSA-N 0 0 328.343 2.582 10 10 EFCERN COC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000072965523 1102366501 /nfs/dbraw/zinc/36/65/01/1102366501.db2.gz VCOXABCVHVSPJR-NSHDSACASA-N 0 0 332.375 2.915 10 10 EFCERN COc1ccc(N(C)CCOc2ccc3c(c2)OCO3)c(OC)c1 ZINC001657868873 1102417127 /nfs/dbraw/zinc/41/71/27/1102417127.db2.gz GGBMSMKZYQNMEU-UHFFFAOYSA-N 0 0 331.368 2.948 10 10 EFCERN C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001659193608 1102524170 /nfs/dbraw/zinc/52/41/70/1102524170.db2.gz NIYFSFDHLZGCFR-WFASDCNBSA-N 0 0 343.393 2.784 10 10 EFCERN C[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)c1ccccc1O ZINC001648894747 1102555020 /nfs/dbraw/zinc/55/50/20/1102555020.db2.gz RZUOVCILHSKYOW-GWCFXTLKSA-N 0 0 328.343 2.835 10 10 EFCERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001648891569 1102556709 /nfs/dbraw/zinc/55/67/09/1102556709.db2.gz BXRAQHJXGPYWNM-LBPRGKRZSA-N 0 0 333.409 2.677 10 10 EFCERN COCCn1c(C)c(C)c2cc(-c3nc(C4(N)CC4)no3)ccc21 ZINC000905325208 1103054696 /nfs/dbraw/zinc/05/46/96/1103054696.db2.gz SCIYRSLFHJVCFP-UHFFFAOYSA-N 0 0 326.400 2.902 10 10 EFCERN O=C(CN(CC(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2)c1ccc[nH]1 ZINC000031465925 1103640788 /nfs/dbraw/zinc/64/07/88/1103640788.db2.gz WLFJXQKLLOYQST-UHFFFAOYSA-N 0 0 349.390 2.850 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2csc(C(=O)OC)n2)cc1 ZINC000906281747 1104066094 /nfs/dbraw/zinc/06/60/94/1104066094.db2.gz OHKDZXVPNLRTEX-UHFFFAOYSA-N 0 0 347.440 2.706 10 10 EFCERN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCO1 ZINC000906261845 1104077729 /nfs/dbraw/zinc/07/77/29/1104077729.db2.gz ZSWMMXLDVAQVTB-RHSMWYFYSA-N 0 0 334.485 2.671 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C2CC2)c1N ZINC000906344464 1104133156 /nfs/dbraw/zinc/13/31/56/1104133156.db2.gz FKZLMSNPFTYGJR-UHFFFAOYSA-N 0 0 341.459 2.917 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000906433947 1104191046 /nfs/dbraw/zinc/19/10/46/1104191046.db2.gz NTDDEDLUCQSVOJ-ZWKOTPCHSA-N 0 0 344.455 2.882 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C(=O)OC)n1 ZINC000906428973 1104209909 /nfs/dbraw/zinc/20/99/09/1104209909.db2.gz ZRHPTLFFGCDCAO-UHFFFAOYSA-N 0 0 347.440 2.658 10 10 EFCERN CC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC001664752813 1104538261 /nfs/dbraw/zinc/53/82/61/1104538261.db2.gz DQKOHLLUPRYQKI-UHFFFAOYSA-N 0 0 339.800 2.727 10 10 EFCERN CCc1nnc(CN(CCOC)c2ccc(OC)c(OC)c2)s1 ZINC000784185723 1104609437 /nfs/dbraw/zinc/60/94/37/1104609437.db2.gz CRVZKCNMESWDIF-UHFFFAOYSA-N 0 0 337.445 2.771 10 10 EFCERN CC[C@H](F)CN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667669046 1105172795 /nfs/dbraw/zinc/17/27/95/1105172795.db2.gz KSOFUVAKVDFGMQ-ZDUSSCGKSA-N 0 0 337.399 2.601 10 10 EFCERN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000841955679 1106042114 /nfs/dbraw/zinc/04/21/14/1106042114.db2.gz JSRYRMPZJLNRNT-RCCFBDPRSA-N 0 0 331.460 2.536 10 10 EFCERN O=C(NCc1cnc2n1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897698032 1106052714 /nfs/dbraw/zinc/05/27/14/1106052714.db2.gz KQKBWCYRKBCELB-UHFFFAOYSA-N 0 0 343.408 2.775 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](O)CC12CCC2 ZINC000898000270 1106174692 /nfs/dbraw/zinc/17/46/92/1106174692.db2.gz PAGCYXOTTSZTJM-LLVKDONJSA-N 0 0 333.409 2.832 10 10 EFCERN CN(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC001142533188 1106238504 /nfs/dbraw/zinc/23/85/04/1106238504.db2.gz FZRQKQJQTJWQCO-INIZCTEOSA-N 0 0 334.803 2.670 10 10 EFCERN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(O)cc2O)c1C(C)C ZINC001142532983 1106238541 /nfs/dbraw/zinc/23/85/41/1106238541.db2.gz BIOMWDYLIFHXMY-UHFFFAOYSA-N 0 0 330.384 2.990 10 10 EFCERN COc1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)no2)cc1 ZINC001142533150 1106238703 /nfs/dbraw/zinc/23/87/03/1106238703.db2.gz DXJKYTLVOKTZFE-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN COC(=O)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC1CC1 ZINC000898277946 1106301761 /nfs/dbraw/zinc/30/17/61/1106301761.db2.gz YBHHZRNKKRIUTL-NSHDSACASA-N 0 0 349.408 2.632 10 10 EFCERN COc1cccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC001675243784 1106321459 /nfs/dbraw/zinc/32/14/59/1106321459.db2.gz MQPXUNGDULYWOO-UHFFFAOYSA-N 0 0 345.355 2.617 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](C)C3)CC2)c(OC)c1 ZINC001676077819 1106481327 /nfs/dbraw/zinc/48/13/27/1106481327.db2.gz HTKMYXSLZRMVHT-HUUCEWRRSA-N 0 0 347.459 2.724 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1F ZINC001676698278 1106560898 /nfs/dbraw/zinc/56/08/98/1106560898.db2.gz LBLRCWNCGJFBDF-FRFSOERESA-N 0 0 347.434 2.855 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC001127203156 1106845944 /nfs/dbraw/zinc/84/59/44/1106845944.db2.gz GOXXORDDKUZISU-JLHYYAGUSA-N 0 0 330.409 2.551 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001679448677 1107577019 /nfs/dbraw/zinc/57/70/19/1107577019.db2.gz WXCVTRVCHMYUGF-CUOATXAZSA-N 0 0 326.824 2.904 10 10 EFCERN CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001679448676 1107577130 /nfs/dbraw/zinc/57/71/30/1107577130.db2.gz WXCVTRVCHMYUGF-BIGNPOOSSA-N 0 0 326.824 2.904 10 10 EFCERN C[C@@H]1[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000925333196 1107680820 /nfs/dbraw/zinc/68/08/20/1107680820.db2.gz BCJOQBGFLWUSPY-PRHODGIISA-N 0 0 332.231 2.591 10 10 EFCERN Cn1cc([C@H](NC(=O)N2Cc3cccc(O)c3C2)c2ccccc2)cn1 ZINC001680037124 1107778659 /nfs/dbraw/zinc/77/86/59/1107778659.db2.gz XXOLNJMPHQVMIG-LJQANCHMSA-N 0 0 348.406 2.941 10 10 EFCERN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001681035451 1108111506 /nfs/dbraw/zinc/11/15/06/1108111506.db2.gz UDRBRYFXFWCJOI-LBPRGKRZSA-N 0 0 329.356 2.903 10 10 EFCERN CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001681527197 1108318275 /nfs/dbraw/zinc/31/82/75/1108318275.db2.gz QLGSQDBLDXWJOO-NEPJUHHUSA-N 0 0 347.419 2.662 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(O)CCCCC1 ZINC001682097615 1108566284 /nfs/dbraw/zinc/56/62/84/1108566284.db2.gz SDYXGEJOKITVBU-INIZCTEOSA-N 0 0 347.503 2.986 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(O)CCCCC1 ZINC001682097616 1108566336 /nfs/dbraw/zinc/56/63/36/1108566336.db2.gz SDYXGEJOKITVBU-MRXNPFEDSA-N 0 0 347.503 2.986 10 10 EFCERN C[Si](C)(CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001682291815 1108611709 /nfs/dbraw/zinc/61/17/09/1108611709.db2.gz SODAGDNNYYQBAQ-UHFFFAOYSA-N 0 0 348.906 3.000 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1=CCCOC1 ZINC001682995529 1108656889 /nfs/dbraw/zinc/65/68/89/1108656889.db2.gz OHUJJKHUYVBWEO-UHFFFAOYSA-N 0 0 329.444 2.775 10 10 EFCERN Cc1cc(CCNS(=O)(=O)CC2CC2)c(C)n1-c1ccccc1 ZINC000748054618 1108720901 /nfs/dbraw/zinc/72/09/01/1108720901.db2.gz PAPLJNJDERUQAM-UHFFFAOYSA-N 0 0 332.469 2.966 10 10 EFCERN Cc1noc([C@@H](C)N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000898437915 1108942112 /nfs/dbraw/zinc/94/21/12/1108942112.db2.gz ACZQWVHTCZQTBZ-SSDOTTSWSA-N 0 0 333.369 2.837 10 10 EFCERN Cn1ncc(C2CC2)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898781827 1109083284 /nfs/dbraw/zinc/08/32/84/1109083284.db2.gz FZUGTPMXKYNHHW-UHFFFAOYSA-N 0 0 343.408 2.853 10 10 EFCERN CCOC(=O)[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898793323 1109084993 /nfs/dbraw/zinc/08/49/93/1109084993.db2.gz GFVCAGXRKQFWMA-LLVKDONJSA-N 0 0 349.408 2.870 10 10 EFCERN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000899105066 1109203955 /nfs/dbraw/zinc/20/39/55/1109203955.db2.gz NNIBYCWEZWNSPI-PWSUYJOCSA-N 0 0 340.807 2.577 10 10 EFCERN C[C@H](NC(=O)CCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000899174596 1109235025 /nfs/dbraw/zinc/23/50/25/1109235025.db2.gz WXNXMRQJNDKEPX-AWEZNQCLSA-N 0 0 338.407 2.892 10 10 EFCERN O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc2cc(O)c(O)cc2s1 ZINC000899194112 1109239277 /nfs/dbraw/zinc/23/92/77/1109239277.db2.gz XVYXCTCSSNTHQG-OLUVUFQESA-N 0 0 333.409 3.000 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1C[C@H]1C1CC1 ZINC000842256919 1109285866 /nfs/dbraw/zinc/28/58/66/1109285866.db2.gz NRVIWAXRBDODNG-FZMZJTMJSA-N 0 0 334.803 2.856 10 10 EFCERN Cc1cc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000899442396 1109330512 /nfs/dbraw/zinc/33/05/12/1109330512.db2.gz PACACHIWDZKPMX-YLJYHZDGSA-N 0 0 339.439 2.866 10 10 EFCERN COc1ccc(N2CCN(C(=O)C(C)(C)c3nccs3)CC2)cc1 ZINC000899940428 1109556626 /nfs/dbraw/zinc/55/66/26/1109556626.db2.gz MYMILRHEXMPABY-UHFFFAOYSA-N 0 0 345.468 2.778 10 10 EFCERN Fc1cccc(Cn2cnc(CNCc3ccc4c(c3)CCO4)n2)c1 ZINC000780590073 1111794051 /nfs/dbraw/zinc/79/40/51/1111794051.db2.gz QALIWNRLASPFDO-UHFFFAOYSA-N 0 0 338.386 2.690 10 10 EFCERN Cc1csc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000184144034 1118945023 /nfs/dbraw/zinc/94/50/23/1118945023.db2.gz NELAQXWTFUYMLA-CQSZACIVSA-N 0 0 346.500 2.827 10 10 EFCERN CN(C)c1ccc(CNC(=O)NOCc2ccc(F)cc2)cc1F ZINC000184635701 1119283023 /nfs/dbraw/zinc/28/30/23/1119283023.db2.gz SATDFFVKWOGEHD-UHFFFAOYSA-N 0 0 335.354 2.962 10 10 EFCERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000185205300 1119889251 /nfs/dbraw/zinc/88/92/51/1119889251.db2.gz MAXUEMSSBZQEBB-UHFFFAOYSA-N 0 0 343.448 2.670 10 10 EFCERN CC[C@H]1CCCCN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000097653828 219044480 /nfs/dbraw/zinc/04/44/80/219044480.db2.gz HWSFPUZXMLYGDI-KRWDZBQOSA-N 0 0 345.487 2.608 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1F ZINC000171360683 529781033 /nfs/dbraw/zinc/78/10/33/529781033.db2.gz OPPYFWGVYAFJSH-MRXNPFEDSA-N 0 0 345.422 2.672 10 10 EFCERN CC(NCCCO)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101834196 219166980 /nfs/dbraw/zinc/16/69/80/219166980.db2.gz OIJIYKOYIYUZRI-OBGWFSINSA-N 0 0 335.407 2.684 10 10 EFCERN CCOC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O ZINC000003641435 210070570 /nfs/dbraw/zinc/07/05/70/210070570.db2.gz NICHJVDQFWARSF-OAHLLOKOSA-N 0 0 327.340 2.620 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281667014 290851501 /nfs/dbraw/zinc/85/15/01/290851501.db2.gz PHHGFXNLPRUIAI-MHQJXXKBSA-N 0 0 334.372 2.785 10 10 EFCERN O=C(Nc1nnc(-c2ccccc2)s1)c1cc(O)c(O)c(O)c1 ZINC000039766100 213242230 /nfs/dbraw/zinc/24/22/30/213242230.db2.gz QAAYXQVTVJZBOQ-UHFFFAOYSA-N 0 0 329.337 2.574 10 10 EFCERN CC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000069709616 215549503 /nfs/dbraw/zinc/54/95/03/215549503.db2.gz AVDKQXXCKRHHLO-OAHLLOKOSA-N 0 0 330.359 2.529 10 10 EFCERN O=c1[nH]c(C=Cc2ccc(N3CCOCC3)cc2)nc2ccccc12 ZINC000033530796 212953872 /nfs/dbraw/zinc/95/38/72/212953872.db2.gz ABGCTDCXUKDTPI-YFHOEESVSA-N 0 0 333.391 2.930 10 10 EFCERN CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC000029570412 212673222 /nfs/dbraw/zinc/67/32/22/212673222.db2.gz LVLDAVSFKOKDAR-YHVDPYDOSA-N 0 0 330.428 2.568 10 10 EFCERN COc1ccc(C)cc1N(C)S(=O)(=O)c1cccc2nsnc21 ZINC000000213005 209488176 /nfs/dbraw/zinc/48/81/76/209488176.db2.gz JLHWBKYAUATPHI-UHFFFAOYSA-N 0 0 349.437 2.833 10 10 EFCERN CCN(CC)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000000187010 209471563 /nfs/dbraw/zinc/47/15/63/209471563.db2.gz OLMRAXUWHBVOQR-UHFFFAOYSA-N 0 0 333.384 2.761 10 10 EFCERN Nc1c(Cl)cc(N2C(=O)N[C@@]3(CCSC3)C2=O)cc1Cl ZINC000277897984 283651047 /nfs/dbraw/zinc/65/10/47/283651047.db2.gz CPUYCTUBPDVBPL-GFCCVEGCSA-N 0 0 332.212 2.508 10 10 EFCERN Cc1cccc(N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)n1 ZINC000177686684 239389402 /nfs/dbraw/zinc/38/94/02/239389402.db2.gz STGGKZQHCGEJQJ-UHFFFAOYSA-N 0 0 341.411 2.508 10 10 EFCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251546992 240305019 /nfs/dbraw/zinc/30/50/19/240305019.db2.gz DWUNFNNPSDOEDN-YXJHDRRASA-N 0 0 330.428 2.638 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCOC[C@@H]2C)cc1F ZINC000277418641 240778566 /nfs/dbraw/zinc/77/85/66/240778566.db2.gz IAIVPEWCWUVCAA-XJKSGUPXSA-N 0 0 337.439 2.896 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)NCCc3cn[nH]c3)cc2)CC1 ZINC000290750192 241019153 /nfs/dbraw/zinc/01/91/53/241019153.db2.gz OWASJRYYFHGNRV-UHFFFAOYSA-N 0 0 341.459 2.688 10 10 EFCERN COCCOc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294268866 241038139 /nfs/dbraw/zinc/03/81/39/241038139.db2.gz OHFAIEOMZDTANB-UHFFFAOYSA-N 0 0 340.782 2.895 10 10 EFCERN Cc1cc(Cl)cc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000293998903 241031243 /nfs/dbraw/zinc/03/12/43/241031243.db2.gz SPRBNBQNDXSABX-GFCCVEGCSA-N 0 0 331.865 2.611 10 10 EFCERN Cc1cccnc1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296573594 241091124 /nfs/dbraw/zinc/09/11/24/241091124.db2.gz XZHAUQJEPQPHLT-UHFFFAOYSA-N 0 0 336.439 2.808 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000294705740 241050687 /nfs/dbraw/zinc/05/06/87/241050687.db2.gz OJXPXDDITHGDPZ-QGZVFWFLSA-N 0 0 337.778 2.945 10 10 EFCERN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295444505 241051452 /nfs/dbraw/zinc/05/14/52/241051452.db2.gz USNDBEANOFHIRH-LBPRGKRZSA-N 0 0 340.826 2.923 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(S(C)(=O)=O)c1 ZINC000295488074 241054963 /nfs/dbraw/zinc/05/49/63/241054963.db2.gz SMJPSDPMMVOLBK-UHFFFAOYSA-N 0 0 346.452 2.555 10 10 EFCERN COC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1C ZINC000301908142 241189144 /nfs/dbraw/zinc/18/91/44/241189144.db2.gz FAAVBRODLWXZSQ-UHFFFAOYSA-N 0 0 341.411 2.512 10 10 EFCERN Cc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301668909 241190507 /nfs/dbraw/zinc/19/05/07/241190507.db2.gz DLEJOJKNAPJJFH-UHFFFAOYSA-N 0 0 333.369 2.932 10 10 EFCERN COCc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000297757594 241133668 /nfs/dbraw/zinc/13/36/68/241133668.db2.gz LKZIUEQNAJAIKS-MRXNPFEDSA-N 0 0 332.400 2.708 10 10 EFCERN Cc1cc(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1C ZINC000363625149 242279264 /nfs/dbraw/zinc/27/92/64/242279264.db2.gz SEEHKVPNCYRNMR-UHFFFAOYSA-N 0 0 326.444 2.926 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366108447 242342876 /nfs/dbraw/zinc/34/28/76/242342876.db2.gz ZRRGSZHETOUBPQ-AWEZNQCLSA-N 0 0 328.416 2.594 10 10 EFCERN Cc1cc2c(cc1C)N(C(=O)c1cn(C)nc1-c1cnn(C)c1)CC2 ZINC000367658131 242388892 /nfs/dbraw/zinc/38/88/92/242388892.db2.gz OWZVTNSRMAOPPW-UHFFFAOYSA-N 0 0 335.411 2.640 10 10 EFCERN Cc1onc(-c2cccnc2)c1C(=O)N1CCOc2nc(C)ccc21 ZINC000368005044 242399908 /nfs/dbraw/zinc/39/99/08/242399908.db2.gz GZHZKZRDDMFUTA-UHFFFAOYSA-N 0 0 336.351 2.788 10 10 EFCERN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)cc1 ZINC000020530733 212143837 /nfs/dbraw/zinc/14/38/37/212143837.db2.gz DEHWTEQLHORXQK-KRWDZBQOSA-N 0 0 335.407 2.904 10 10 EFCERN Cn1cc(/C=C2\SC(=S)N(CCCO)C2=O)c2ccccc21 ZINC000016904815 211941012 /nfs/dbraw/zinc/94/10/12/211941012.db2.gz LFOQGMXYSDHNNA-ZROIWOOFSA-N 0 0 332.450 2.762 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]34CCOC4)ccc21 ZINC000422091909 246258736 /nfs/dbraw/zinc/25/87/36/246258736.db2.gz PVIXZPUSCTZAQH-FQEVSTJZSA-N 0 0 342.439 2.910 10 10 EFCERN Cc1cc(C(=O)N2CCc3nnc(N)cc3C2)c(C)n1-c1ccccc1 ZINC000084081310 217573571 /nfs/dbraw/zinc/57/35/71/217573571.db2.gz BYARWLPITSPDRZ-UHFFFAOYSA-N 0 0 347.422 2.665 10 10 EFCERN COc1ccc(N(CCC(N)=O)Cc2nc3ccccc3o2)cc1 ZINC000012514421 211396618 /nfs/dbraw/zinc/39/66/18/211396618.db2.gz XRSCMXFOZPUHLK-UHFFFAOYSA-N 0 0 325.368 2.718 10 10 EFCERN COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006097236 291725235 /nfs/dbraw/zinc/72/52/35/291725235.db2.gz LTAWYSYWKNOPCK-LBTPYSACSA-N 0 0 325.386 2.588 10 10 EFCERN COc1ccc(N(CCOc2ccc(F)cc2)CCC(N)=O)cc1 ZINC000009118349 211043286 /nfs/dbraw/zinc/04/32/86/211043286.db2.gz QWEBHBNGXZHEIG-UHFFFAOYSA-N 0 0 332.375 2.595 10 10 EFCERN Nc1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000095949411 218459998 /nfs/dbraw/zinc/45/99/98/218459998.db2.gz KNCCUWCQFAWNEZ-UHFFFAOYSA-N 0 0 338.379 2.900 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](c4ccccc4)C3)cc2N1 ZINC000301669886 284829720 /nfs/dbraw/zinc/82/97/20/284829720.db2.gz DWBIJLUDOABZKV-CYBMUJFWSA-N 0 0 339.351 2.920 10 10 EFCERN COc1cc(N(C)Cc2nc(CC(C)C)no2)cc(OC)c1OC ZINC000125788024 532952789 /nfs/dbraw/zinc/95/27/89/532952789.db2.gz CFLNATFGIGVJFQ-UHFFFAOYSA-N 0 0 335.404 2.930 10 10 EFCERN O=C1c2cccc(Cl)c2C(=O)c2c1cccc2N1CCOCC1 ZINC000004140692 285017660 /nfs/dbraw/zinc/01/76/60/285017660.db2.gz XXWJTXLZVUXXNN-UHFFFAOYSA-N 0 0 327.767 2.952 10 10 EFCERN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCOC ZINC000004786044 210279136 /nfs/dbraw/zinc/27/91/36/210279136.db2.gz CAMPPCCFYGLNJZ-QXMHVHEDSA-N 0 0 344.440 2.919 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277305050 296427331 /nfs/dbraw/zinc/42/73/31/296427331.db2.gz LDRVVSHVGCNPKB-NJAFHUGGSA-N 0 0 339.439 2.850 10 10 EFCERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265513 533441178 /nfs/dbraw/zinc/44/11/78/533441178.db2.gz QUCICMNQVOKIJG-HYVNUMGLSA-N 0 0 337.391 2.502 10 10 EFCERN COc1ccc(O)c(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1 ZINC000185625709 286338551 /nfs/dbraw/zinc/33/85/51/286338551.db2.gz GIBJFASDKGSXEQ-GOSISDBHSA-N 0 0 344.386 2.521 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301293992 287212272 /nfs/dbraw/zinc/21/22/72/287212272.db2.gz XOJULYBAGMGENN-SKVWCYETSA-N 0 0 334.372 2.785 10 10 EFCERN CCOc1cccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040288 544540505 /nfs/dbraw/zinc/54/05/05/544540505.db2.gz MNTYKGQFUHMOSV-HOTGVXAUSA-N 0 0 347.411 2.708 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000115633389 544572723 /nfs/dbraw/zinc/57/27/23/544572723.db2.gz WKIRDGLHPMZOKF-KRWDZBQOSA-N 0 0 327.432 2.913 10 10 EFCERN COc1ccc(O)c([C@H](C)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000273367694 274114617 /nfs/dbraw/zinc/11/46/17/274114617.db2.gz BUPCAHUINADAPQ-XHDPSFHLSA-N 0 0 333.409 2.580 10 10 EFCERN CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097235284 277169018 /nfs/dbraw/zinc/16/90/18/277169018.db2.gz LSYOXLAYZMJQKP-YOEHRIQHSA-N 0 0 346.814 2.926 10 10 EFCERN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595042 278282824 /nfs/dbraw/zinc/28/28/24/278282824.db2.gz QEERVDDFQFGCBF-LRDDRELGSA-N 0 0 341.367 2.757 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]1c1ccsc1 ZINC000530208877 317080347 /nfs/dbraw/zinc/08/03/47/317080347.db2.gz IWUFNFOCSHTKOH-UONOGXRCSA-N 0 0 328.393 2.774 10 10 EFCERN CN(C(=O)c1ccc(O)c(O)c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000095997794 473250300 /nfs/dbraw/zinc/25/03/00/473250300.db2.gz KXHYZWSPMFOYOH-UHFFFAOYSA-N 0 0 344.386 2.978 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3nc(C)sc3C)CC2)cc1 ZINC000082320236 473300080 /nfs/dbraw/zinc/30/00/80/473300080.db2.gz JKTIQTKHSJUDSJ-UHFFFAOYSA-N 0 0 331.441 2.731 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1(C)COC1 ZINC000112753625 473309567 /nfs/dbraw/zinc/30/95/67/473309567.db2.gz FDWYVUFXVZUCHF-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)CC(C)C)cc2)CC1 ZINC000190582757 473327477 /nfs/dbraw/zinc/32/74/77/473327477.db2.gz BTPHPKFPRZKBIX-INIZCTEOSA-N 0 0 345.487 2.654 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC000124925502 473327817 /nfs/dbraw/zinc/32/78/17/473327817.db2.gz APCIMSJMMSSXTN-GFCCVEGCSA-N 0 0 342.443 2.733 10 10 EFCERN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185263190 473380598 /nfs/dbraw/zinc/38/05/98/473380598.db2.gz ACHSRJLQSBNXED-LBPRGKRZSA-N 0 0 337.416 2.927 10 10 EFCERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000185298051 473388151 /nfs/dbraw/zinc/38/81/51/473388151.db2.gz NNLIIRIFOCIHIH-QGZVFWFLSA-N 0 0 333.476 2.617 10 10 EFCERN COCCCNC(C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000013532699 471831737 /nfs/dbraw/zinc/83/17/37/471831737.db2.gz XPWFREXTSYQIKH-RVDMUPIBSA-N 0 0 344.440 2.919 10 10 EFCERN CN(C)c1ccc(/C=C/c2ccc(OCC(CO)CO)cc2)cc1 ZINC000013673434 471837439 /nfs/dbraw/zinc/83/74/39/471837439.db2.gz VHRRJPOHFUXUPA-ONEGZZNKSA-N 0 0 327.424 2.903 10 10 EFCERN COCCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)SC1=S ZINC000014201202 471861487 /nfs/dbraw/zinc/86/14/87/471861487.db2.gz PQZSXUXYNTZARI-UKTHLTGXSA-N 0 0 339.438 2.639 10 10 EFCERN COc1ccccc1/C=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O ZINC000033618434 471985832 /nfs/dbraw/zinc/98/58/32/471985832.db2.gz WQZMBIHFPSSTOE-ZHHBOZQESA-N 0 0 332.425 2.775 10 10 EFCERN COc1ccccc1OC[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000034670590 471989958 /nfs/dbraw/zinc/98/99/58/471989958.db2.gz AJEPBYBLEKPKOF-INIZCTEOSA-N 0 0 329.396 2.681 10 10 EFCERN COc1ccccc1OC[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000034670592 471990282 /nfs/dbraw/zinc/99/02/82/471990282.db2.gz AJEPBYBLEKPKOF-MRXNPFEDSA-N 0 0 329.396 2.681 10 10 EFCERN CCCN(Cc1ccccc1O)c1nn2c(nc(CC)cc2=O)s1 ZINC000154409063 472428460 /nfs/dbraw/zinc/42/84/60/472428460.db2.gz YGALFPVGQCAVQC-UHFFFAOYSA-N 0 0 344.440 2.836 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000154595125 472450245 /nfs/dbraw/zinc/45/02/45/472450245.db2.gz XYRAILLTBPYNEL-CVEARBPZSA-N 0 0 347.459 2.626 10 10 EFCERN Cc1cc(Nc2ccc(C(=O)Nc3ccc(N)cc3)cc2)nc(N)n1 ZINC000117428573 472465742 /nfs/dbraw/zinc/46/57/42/472465742.db2.gz YDAJZDXRALGOEO-UHFFFAOYSA-N 0 0 334.383 2.945 10 10 EFCERN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1sccc1C ZINC000100208328 472526313 /nfs/dbraw/zinc/52/63/13/472526313.db2.gz NCLXYZQKJMMHKT-JLHYYAGUSA-N 0 0 335.425 2.766 10 10 EFCERN CC1(C)CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000077517561 472544599 /nfs/dbraw/zinc/54/45/99/472544599.db2.gz ARECCRIKMULPAG-UHFFFAOYSA-N 0 0 335.423 2.746 10 10 EFCERN COc1ccc(N2CCCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000101649589 472547090 /nfs/dbraw/zinc/54/70/90/472547090.db2.gz OEFGRGSCFAMJJD-UHFFFAOYSA-N 0 0 340.423 2.682 10 10 EFCERN Cc1nc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000071825304 472575759 /nfs/dbraw/zinc/57/57/59/472575759.db2.gz AOGWAAUJNZINQT-UHFFFAOYSA-N 0 0 335.448 2.842 10 10 EFCERN CCOC(=O)CC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000090003007 472576637 /nfs/dbraw/zinc/57/66/37/472576637.db2.gz BRMWOLRMSMMDCZ-ZDUSSCGKSA-N 0 0 343.427 2.951 10 10 EFCERN Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(C)n1-c1ccccc1C ZINC000131032317 472644928 /nfs/dbraw/zinc/64/49/28/472644928.db2.gz NNGKGYFKTUVGCY-INIZCTEOSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1[nH]nc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C ZINC000072285755 472649480 /nfs/dbraw/zinc/64/94/80/472649480.db2.gz HNQJXWZBISNCLJ-UHFFFAOYSA-N 0 0 330.457 2.510 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000072526154 472672464 /nfs/dbraw/zinc/67/24/64/472672464.db2.gz VQIOVUDHUUYQOQ-CVEARBPZSA-N 0 0 328.416 2.914 10 10 EFCERN C[C@@H](C1CC1)n1nccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000156319088 472691103 /nfs/dbraw/zinc/69/11/03/472691103.db2.gz GQYYFTJDRYUQEB-NSHDSACASA-N 0 0 330.388 2.630 10 10 EFCERN CCCN(CCC)c1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157639298 472842293 /nfs/dbraw/zinc/84/22/93/472842293.db2.gz YJUTYHRDYFUBDO-GOSISDBHSA-N 0 0 338.517 2.932 10 10 EFCERN COc1cccc([C@@H]2OC(c3ccccc3OC)=NN2C(C)=O)c1O ZINC000064567416 472863435 /nfs/dbraw/zinc/86/34/35/472863435.db2.gz JQKYAAPZQXKSGA-SFHVURJKSA-N 0 0 342.351 2.649 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cn(C)nc3C(C)C)CC2)cc1 ZINC000065522988 472966152 /nfs/dbraw/zinc/96/61/52/472966152.db2.gz GSSZXYDSZQTOKJ-UHFFFAOYSA-N 0 0 342.443 2.515 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107675046 472972507 /nfs/dbraw/zinc/97/25/07/472972507.db2.gz KAFKEKDOTCRROR-OWNNVSBGSA-N 0 0 334.372 2.644 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000122319021 473001001 /nfs/dbraw/zinc/00/10/01/473001001.db2.gz ZIVTYWZWTFUJEU-LJQANCHMSA-N 0 0 328.460 2.630 10 10 EFCERN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000051092652 473025517 /nfs/dbraw/zinc/02/55/17/473025517.db2.gz BCTPSVBOUHJFDB-LJQANCHMSA-N 0 0 348.393 2.829 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(c3nc(CC)ns3)CC2)c1 ZINC000093643127 473128709 /nfs/dbraw/zinc/12/87/09/473128709.db2.gz HIHFOSWVQKJZDP-UHFFFAOYSA-N 0 0 348.472 2.527 10 10 EFCERN CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093740082 473135903 /nfs/dbraw/zinc/13/59/03/473135903.db2.gz BERXCPOAWSYCRF-CYBMUJFWSA-N 0 0 333.259 2.588 10 10 EFCERN CCOc1ccc(O)c(CN2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000093883601 473157194 /nfs/dbraw/zinc/15/71/94/473157194.db2.gz BFAXLUXWNNODIB-GFCCVEGCSA-N 0 0 332.366 2.859 10 10 EFCERN CC(C)(C)c1cc([C@@H]2NC(=O)[C@H]3COCCN32)c(O)c(C(C)(C)C)c1 ZINC000093883382 473157758 /nfs/dbraw/zinc/15/77/58/473157758.db2.gz ZNRCYDKZMARZGF-NVXWUHKLSA-N 0 0 346.471 2.816 10 10 EFCERN COc1cc(N(C)CC(=O)NCCC(C)(C)C)cc(OC)c1OC ZINC000125685568 473446008 /nfs/dbraw/zinc/44/60/08/473446008.db2.gz HTMCSXMIXBCSQT-UHFFFAOYSA-N 0 0 338.448 2.701 10 10 EFCERN COc1cc(N(C)C[C@H](O)Cc2ccccc2)cc(OC)c1OC ZINC000125761448 473455235 /nfs/dbraw/zinc/45/52/35/473455235.db2.gz ASJIDVHMGICCGV-MRXNPFEDSA-N 0 0 331.412 2.752 10 10 EFCERN COc1cc(N(C)Cc2nc(-c3ccco3)no2)cc(OC)c1OC ZINC000125772594 473455827 /nfs/dbraw/zinc/45/58/27/473455827.db2.gz CDCWQTQQZOWQFV-UHFFFAOYSA-N 0 0 345.355 2.992 10 10 EFCERN CC(C)(C)n1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000191169971 473497012 /nfs/dbraw/zinc/49/70/12/473497012.db2.gz NEKLHUNJSTZTPR-KRWDZBQOSA-N 0 0 344.459 2.920 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CCc2ccnn2C)cc1F ZINC000185725018 473497884 /nfs/dbraw/zinc/49/78/84/473497884.db2.gz COMUZJIIUJSWDO-UHFFFAOYSA-N 0 0 332.423 2.654 10 10 EFCERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1O ZINC000185774616 473511076 /nfs/dbraw/zinc/51/10/76/473511076.db2.gz FMQQPRCKYINYNV-GWCFXTLKSA-N 0 0 336.823 2.969 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2c1CCCC2 ZINC000126864707 473553600 /nfs/dbraw/zinc/55/36/00/473553600.db2.gz UOKAPAJPADGKOK-UHFFFAOYSA-N 0 0 326.444 2.948 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000179484363 473690365 /nfs/dbraw/zinc/69/03/65/473690365.db2.gz PGGYWPNJGKTPDG-CQSZACIVSA-N 0 0 329.400 2.734 10 10 EFCERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186688519 473730429 /nfs/dbraw/zinc/73/04/29/473730429.db2.gz SYLMYOGWRMCHOL-OALUTQOASA-N 0 0 330.472 2.804 10 10 EFCERN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000180079274 473793562 /nfs/dbraw/zinc/79/35/62/473793562.db2.gz OYSLDUJKLSUNAF-AWEZNQCLSA-N 0 0 332.835 2.936 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N(C)CC3(CO)CC3)cc2)CC1 ZINC000187161422 473828755 /nfs/dbraw/zinc/82/87/55/473828755.db2.gz FXWOGFUKHNSFIV-UHFFFAOYSA-N 0 0 345.487 2.837 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187404156 473868188 /nfs/dbraw/zinc/86/81/88/473868188.db2.gz FKQGXKCSECHQJM-KURKYZTESA-N 0 0 331.460 2.900 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccnn1C ZINC000274571971 473879162 /nfs/dbraw/zinc/87/91/62/473879162.db2.gz DSAQOFRJQNBLQP-UHFFFAOYSA-N 0 0 328.460 2.856 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCc2cccnc21 ZINC000194530036 473912591 /nfs/dbraw/zinc/91/25/91/473912591.db2.gz DUUDRSQZABLGHA-INIZCTEOSA-N 0 0 337.423 2.993 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccn(C)c1=O ZINC000264211844 473956248 /nfs/dbraw/zinc/95/62/48/473956248.db2.gz WCVAYJOEXOOFOL-UHFFFAOYSA-N 0 0 339.439 2.648 10 10 EFCERN CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000282338895 474028284 /nfs/dbraw/zinc/02/82/84/474028284.db2.gz BSMGDLFCLSOZGP-AWEZNQCLSA-N 0 0 328.416 2.812 10 10 EFCERN Cn1nccc1[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000282350246 474033262 /nfs/dbraw/zinc/03/32/62/474033262.db2.gz ZSSZZBQHUHUENM-PMGBHYCQSA-N 0 0 327.384 2.598 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(OC)OC)ccc21 ZINC000288834971 474065874 /nfs/dbraw/zinc/06/58/74/474065874.db2.gz INSKAJXAXHWYRH-ZDUSSCGKSA-N 0 0 348.443 2.642 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000188373788 474073806 /nfs/dbraw/zinc/07/38/06/474073806.db2.gz MAMONTLFVAFUBP-UHFFFAOYSA-N 0 0 330.359 2.954 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1F ZINC000188470903 474103386 /nfs/dbraw/zinc/10/33/86/474103386.db2.gz DRLKJCMMBXCLGM-KRWDZBQOSA-N 0 0 348.422 2.937 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188633643 474148096 /nfs/dbraw/zinc/14/80/96/474148096.db2.gz NXDMNZFNPJIISK-KZNAEPCWSA-N 0 0 331.460 2.852 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188633687 474148180 /nfs/dbraw/zinc/14/81/80/474148180.db2.gz NXDMNZFNPJIISK-KURKYZTESA-N 0 0 331.460 2.852 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)cc1F ZINC000282666205 474148373 /nfs/dbraw/zinc/14/83/73/474148373.db2.gz GRMBRNDYIYENNL-OAHLLOKOSA-N 0 0 345.422 2.502 10 10 EFCERN CCCN(CCC)c1ccc(CN2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000282784954 474195489 /nfs/dbraw/zinc/19/54/89/474195489.db2.gz QPHWOBAOUFKDBJ-SFHVURJKSA-N 0 0 338.517 2.932 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000275798713 474322938 /nfs/dbraw/zinc/32/29/38/474322938.db2.gz CWFXVJWSRAISQS-JOEXVHRGSA-N 0 0 334.372 2.642 10 10 EFCERN Cc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c(C)n1-c1ccccn1 ZINC000189393156 474383097 /nfs/dbraw/zinc/38/30/97/474383097.db2.gz RPMZBNIAMVGZEC-DJIMGWMZSA-N 0 0 325.412 2.786 10 10 EFCERN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccc2O)ncn1 ZINC000183596723 474396687 /nfs/dbraw/zinc/39/66/87/474396687.db2.gz SCLGBUYYILVNND-KGLIPLIRSA-N 0 0 327.432 2.544 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271144110 474403358 /nfs/dbraw/zinc/40/33/58/474403358.db2.gz GQXGXFRSYWJIMD-POZKEBTKSA-N 0 0 348.399 2.912 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C/c3ncccc3C)CC2)cc1 ZINC000183709378 474416450 /nfs/dbraw/zinc/41/64/50/474416450.db2.gz DFEVRRLJJYJTQM-MDZDMXLPSA-N 0 0 337.423 2.761 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)[C@@H](C)O)c2C)cc1 ZINC000271238627 474455185 /nfs/dbraw/zinc/45/51/85/474455185.db2.gz AZJPTOKJKPASJV-CQSZACIVSA-N 0 0 330.428 2.992 10 10 EFCERN O[C@H]1CCOc2c(NCc3ccc(N4CCOCC4)cc3)cccc21 ZINC000184065406 474467864 /nfs/dbraw/zinc/46/78/64/474467864.db2.gz RCUQELKDKWKGMH-IBGZPJMESA-N 0 0 340.423 2.951 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334061 474495802 /nfs/dbraw/zinc/49/58/02/474495802.db2.gz NLYCLTUULVDOQB-MAUKXSAKSA-N 0 0 348.418 2.809 10 10 EFCERN CN(C)c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000271334064 474496723 /nfs/dbraw/zinc/49/67/23/474496723.db2.gz NLYCLTUULVDOQB-YJBOKZPZSA-N 0 0 348.418 2.809 10 10 EFCERN Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c(O)c1O ZINC000184328933 474499836 /nfs/dbraw/zinc/49/98/36/474499836.db2.gz ZCCYCDNQINKJHZ-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN Oc1cccc(Cl)c1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271379787 474516973 /nfs/dbraw/zinc/51/69/73/474516973.db2.gz RGYKQEQXWAISSP-BLLLJJGKSA-N 0 0 337.803 2.963 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000289998080 474520665 /nfs/dbraw/zinc/52/06/65/474520665.db2.gz CTNVDTYGZCRZBM-ABAIWWIYSA-N 0 0 332.356 2.521 10 10 EFCERN O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277305059 474581542 /nfs/dbraw/zinc/58/15/42/474581542.db2.gz LDRVVSHVGCNPKB-SZMVWBNQSA-N 0 0 339.439 2.850 10 10 EFCERN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000284169695 474586912 /nfs/dbraw/zinc/58/69/12/474586912.db2.gz WWIZNRLJRZONTO-AAEUAGOBSA-N 0 0 336.259 2.947 10 10 EFCERN COc1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000184697872 474588086 /nfs/dbraw/zinc/58/80/86/474588086.db2.gz IEMRZLJELRMQDB-GFCCVEGCSA-N 0 0 325.714 2.553 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccnn1C ZINC000277677290 474592701 /nfs/dbraw/zinc/59/27/01/474592701.db2.gz CJWJNHBFYFTMOM-UHFFFAOYSA-N 0 0 326.444 2.612 10 10 EFCERN COc1c(O)c(CNC2(c3noc(C)n3)CCCC2)ccc1[N+](=O)[O-] ZINC000278104870 474601298 /nfs/dbraw/zinc/60/12/98/474601298.db2.gz ABRPDCOTIGOSTI-UHFFFAOYSA-N 0 0 348.359 2.560 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2F)C[C@@H](C)O1 ZINC000292835406 474666502 /nfs/dbraw/zinc/66/65/02/474666502.db2.gz PEQNMYXPGUXRMV-VXGBXAGGSA-N 0 0 349.381 2.837 10 10 EFCERN CCN(CC)c1ccc(CNCc2ncccc2S(C)(=O)=O)cc1 ZINC000278693639 474780465 /nfs/dbraw/zinc/78/04/65/474780465.db2.gz IZSNILGOPJVTSW-UHFFFAOYSA-N 0 0 347.484 2.621 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(Cl)cs1 ZINC000279001882 474954812 /nfs/dbraw/zinc/95/48/12/474954812.db2.gz NQFROTQCGHKRCJ-UHFFFAOYSA-N 0 0 337.832 2.563 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)c1ccccn1 ZINC000279180853 474963227 /nfs/dbraw/zinc/96/32/27/474963227.db2.gz IFZOLBAAJRILIT-IBGZPJMESA-N 0 0 339.439 2.764 10 10 EFCERN CC1(C)CC[C@H](C(=O)NCc2cccc(Br)c2O)O1 ZINC000279300985 474968566 /nfs/dbraw/zinc/96/85/66/474968566.db2.gz LOXRSUJTWMULSC-LLVKDONJSA-N 0 0 328.206 2.729 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595040 474980831 /nfs/dbraw/zinc/98/08/31/474980831.db2.gz QEERVDDFQFGCBF-BLLLJJGKSA-N 0 0 341.367 2.757 10 10 EFCERN COc1cc(Cl)cc(CN(C)Cc2nc([C@@H](C)OC)no2)c1O ZINC000273694704 475016872 /nfs/dbraw/zinc/01/68/72/475016872.db2.gz CAXQLZPWHCQAJK-SECBINFHSA-N 0 0 341.795 2.777 10 10 EFCERN CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293573880 475040097 /nfs/dbraw/zinc/04/00/97/475040097.db2.gz JEQLQVUWIAVJDX-CMPLNLGQSA-N 0 0 328.815 2.921 10 10 EFCERN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1O ZINC000293683301 475047496 /nfs/dbraw/zinc/04/74/96/475047496.db2.gz KZUVXANYBCTOJU-UHFFFAOYSA-N 0 0 340.379 2.561 10 10 EFCERN CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000280799871 475050957 /nfs/dbraw/zinc/05/09/57/475050957.db2.gz QZZFFZTWOLVPSN-NSHDSACASA-N 0 0 332.404 2.707 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000293932318 475059181 /nfs/dbraw/zinc/05/91/81/475059181.db2.gz HKXNVIMNCRYKQY-INIZCTEOSA-N 0 0 343.826 2.842 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000286344417 475062260 /nfs/dbraw/zinc/06/22/60/475062260.db2.gz GXYYFBCURLJCNZ-ZKVFWIFDSA-N 0 0 346.383 2.929 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000294633948 475076122 /nfs/dbraw/zinc/07/61/22/475076122.db2.gz JWPFARWAEGXLQL-BZNIZROVSA-N 0 0 343.826 2.842 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cncc(Cl)c1 ZINC000294733492 475079327 /nfs/dbraw/zinc/07/93/27/475079327.db2.gz BSBOFOQOEIJQPA-UHFFFAOYSA-N 0 0 331.803 2.502 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCOC[C@H]1OC ZINC000294768775 475081518 /nfs/dbraw/zinc/08/15/18/475081518.db2.gz QTQFHAIQEMCJHK-SJLPKXTDSA-N 0 0 334.460 2.543 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000294768771 475081545 /nfs/dbraw/zinc/08/15/45/475081545.db2.gz QTQFHAIQEMCJHK-FUHWJXTLSA-N 0 0 334.460 2.543 10 10 EFCERN CN(C)c1ccc(CNc2ncnc3c2ncn3C2CC2)cc1F ZINC000292605778 475112057 /nfs/dbraw/zinc/11/20/57/475112057.db2.gz CETDGXWBPVAXRF-UHFFFAOYSA-N 0 0 326.379 2.978 10 10 EFCERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000295230951 475113551 /nfs/dbraw/zinc/11/35/51/475113551.db2.gz CXBROFLGDWEWGE-WCQYABFASA-N 0 0 342.233 2.976 10 10 EFCERN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521295 475127558 /nfs/dbraw/zinc/12/75/58/475127558.db2.gz ZYVDWZGBJZOOKD-UKRRQHHQSA-N 0 0 349.855 2.972 10 10 EFCERN Cc1cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1N(C)C ZINC000292686820 475152317 /nfs/dbraw/zinc/15/23/17/475152317.db2.gz CDVDJZJJQJYEAH-HKUYNNGSSA-N 0 0 344.455 2.979 10 10 EFCERN CC1(C)CN(C(=O)c2ccoc2CC(N)=O)c2ccc(Cl)cc21 ZINC000634149846 480154046 /nfs/dbraw/zinc/15/40/46/480154046.db2.gz HMAXYWOHZWSKKD-UHFFFAOYSA-N 0 0 332.787 2.899 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2nccnc21 ZINC000347583079 475326993 /nfs/dbraw/zinc/32/69/93/475326993.db2.gz JAEAGIRGUWNSIB-UHFFFAOYSA-N 0 0 334.379 2.735 10 10 EFCERN COc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301632119 476172127 /nfs/dbraw/zinc/17/21/27/476172127.db2.gz BUFNVSLDKCENBR-UHFFFAOYSA-N 0 0 343.339 2.571 10 10 EFCERN COc1ccc(N2CCCN(c3nc([C@@H](C)OC)ns3)CC2)cc1 ZINC000369211898 476400170 /nfs/dbraw/zinc/40/01/70/476400170.db2.gz BPMAZPQBAMEYOH-CYBMUJFWSA-N 0 0 348.472 2.971 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000369424410 476415937 /nfs/dbraw/zinc/41/59/37/476415937.db2.gz INDPPNWLBOAGOQ-JJTKIYQPSA-N 0 0 343.471 2.589 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000373580237 476416390 /nfs/dbraw/zinc/41/63/90/476416390.db2.gz BVAVBGCADCMKDM-STQMWFEESA-N 0 0 327.808 2.588 10 10 EFCERN CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000365137899 476560929 /nfs/dbraw/zinc/56/09/29/476560929.db2.gz OAIJUBHXHPLZIE-AWEZNQCLSA-N 0 0 330.388 2.725 10 10 EFCERN Cn1ncc2c1ncnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378407906 476707169 /nfs/dbraw/zinc/70/71/69/476707169.db2.gz YDDDWXWFKATKBS-UHFFFAOYSA-N 0 0 326.791 2.705 10 10 EFCERN COc1cc(O)c(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1OC ZINC000378443652 476708006 /nfs/dbraw/zinc/70/80/06/476708006.db2.gz NNCSOVWVNPVLHT-LJQANCHMSA-N 0 0 345.395 2.689 10 10 EFCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000375262975 476745402 /nfs/dbraw/zinc/74/54/02/476745402.db2.gz YZEKZSMOGYFFIT-OAHLLOKOSA-N 0 0 335.835 2.969 10 10 EFCERN COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C)c1O ZINC000370367985 476776814 /nfs/dbraw/zinc/77/68/14/476776814.db2.gz RIGHXMYKPRAGHU-KGLIPLIRSA-N 0 0 327.808 2.506 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000370774867 476978542 /nfs/dbraw/zinc/97/85/42/476978542.db2.gz RPTITSRCCLSTLK-SCXUMTSISA-N 0 0 344.327 2.506 10 10 EFCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nnc2n1CCCCC2 ZINC000375781214 477000506 /nfs/dbraw/zinc/00/05/06/477000506.db2.gz VBNQQXGJCLOAJO-CYBMUJFWSA-N 0 0 343.431 2.613 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000376472627 477351704 /nfs/dbraw/zinc/35/17/04/477351704.db2.gz PMSCKVFIOZBULK-FZMZJTMJSA-N 0 0 344.367 2.963 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000376477929 477354119 /nfs/dbraw/zinc/35/41/19/477354119.db2.gz FJISJJVNFLHNPA-JXTAAOLFSA-N 0 0 346.383 2.788 10 10 EFCERN Cc1ccc(C(=O)N2CCCN(c3ccccc3F)CC2)c(O)c1O ZINC000376488028 477359190 /nfs/dbraw/zinc/35/91/90/477359190.db2.gz YLNVLXSONAHAFJ-UHFFFAOYSA-N 0 0 344.386 2.898 10 10 EFCERN CCOc1ccc(O)c(CN[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000376493572 477361439 /nfs/dbraw/zinc/36/14/39/477361439.db2.gz AHURPJTZNOTUIR-CYBMUJFWSA-N 0 0 330.432 2.960 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000371867036 477534305 /nfs/dbraw/zinc/53/43/05/477534305.db2.gz VPXRRTUWRAFVPP-UHFFFAOYSA-N 0 0 345.826 2.868 10 10 EFCERN CC(C)n1ncc2c1C[C@@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000372780240 477814330 /nfs/dbraw/zinc/81/43/30/477814330.db2.gz FHNIVFWPFXIIOC-INIZCTEOSA-N 0 0 342.443 2.869 10 10 EFCERN CC(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000527613776 478445024 /nfs/dbraw/zinc/44/50/24/478445024.db2.gz SGYQVQOMLZNABN-UHFFFAOYSA-N 0 0 327.384 2.593 10 10 EFCERN CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000528208589 478680866 /nfs/dbraw/zinc/68/08/66/478680866.db2.gz FIBZOTPDNZRHOD-OCCSQVGLSA-N 0 0 343.221 2.521 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000528788069 478934403 /nfs/dbraw/zinc/93/44/03/478934403.db2.gz OUVFFWFDCWCIEK-ALLJEULLSA-N 0 0 341.860 2.734 10 10 EFCERN O=C(NCc1ccccc1O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528855699 478961177 /nfs/dbraw/zinc/96/11/77/478961177.db2.gz SUMFPYCCYVXYQB-NSHDSACASA-N 0 0 339.317 2.801 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528867284 478966036 /nfs/dbraw/zinc/96/60/36/478966036.db2.gz ZVTJIAHWPBHRNB-JCURWCKSSA-N 0 0 329.783 2.953 10 10 EFCERN COc1ccc(CNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)c(O)c1 ZINC000529230323 479093958 /nfs/dbraw/zinc/09/39/58/479093958.db2.gz VJPZESVTUGYUQM-OAHLLOKOSA-N 0 0 344.411 2.711 10 10 EFCERN CC1(N2CCOCC2)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000529663355 479237949 /nfs/dbraw/zinc/23/79/49/479237949.db2.gz KIMKQUSJVBRRSB-UHFFFAOYSA-N 0 0 342.842 2.871 10 10 EFCERN CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC1 ZINC000529672744 479243644 /nfs/dbraw/zinc/24/36/44/479243644.db2.gz BJKTVTKYJWRCKM-UHFFFAOYSA-N 0 0 328.815 2.923 10 10 EFCERN O=C(Nc1ccc(-c2ncon2)cc1)c1cc2c(s1)=CC=S=2 ZINC000588826816 479445682 /nfs/dbraw/zinc/44/56/82/479445682.db2.gz JLHZLIQJNZUOJI-UHFFFAOYSA-N 0 0 327.390 2.631 10 10 EFCERN COc1ccc2c(c1)N(C(=O)c1ccnc3c1CC(=O)N3)CCCC2 ZINC000612282984 479630320 /nfs/dbraw/zinc/63/03/20/479630320.db2.gz DIEHJYBVEYPDFV-UHFFFAOYSA-N 0 0 337.379 2.568 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)N3Cc4c[nH]nc4C3)ccc21 ZINC000646346806 481240574 /nfs/dbraw/zinc/24/05/74/481240574.db2.gz CROUAJIZMHQENL-UHFFFAOYSA-N 0 0 338.411 2.784 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000648803543 481754708 /nfs/dbraw/zinc/75/47/08/481754708.db2.gz ZUDJRGTWPXEGLQ-AWEZNQCLSA-N 0 0 342.443 2.888 10 10 EFCERN Cn1cc(-c2n[nH]cc2C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC000652767325 482361381 /nfs/dbraw/zinc/36/13/81/482361381.db2.gz RVHCTAXRYDTOJQ-UHFFFAOYSA-N 0 0 339.374 2.887 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nccn2C)CCCC1 ZINC000650098440 482392246 /nfs/dbraw/zinc/39/22/46/482392246.db2.gz DZGIYMKRETUDTE-UHFFFAOYSA-N 0 0 338.411 2.901 10 10 EFCERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000173734452 534292010 /nfs/dbraw/zinc/29/20/10/534292010.db2.gz DSBQZUHWBMZZCR-INIZCTEOSA-N 0 0 339.439 2.680 10 10 EFCERN O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(-c2ccccc2)n1 ZINC000298702846 527044452 /nfs/dbraw/zinc/04/44/52/527044452.db2.gz WVCAWZITAOJDFH-PTNGSMBKSA-N 0 0 339.424 2.724 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](C)O)CC2)cc1 ZINC000172555724 528301324 /nfs/dbraw/zinc/30/13/24/528301324.db2.gz UJCWJBWOXBAOII-OAHLLOKOSA-N 0 0 333.476 2.835 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)OC)C(C)C)cc1 ZINC000170989895 528305278 /nfs/dbraw/zinc/30/52/78/528305278.db2.gz GZRZADOULBNBJW-MRXNPFEDSA-N 0 0 335.448 2.530 10 10 EFCERN CC(C)c1nc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000180824374 528318415 /nfs/dbraw/zinc/31/84/15/528318415.db2.gz DRRGRYVJPLRCIN-STMXVASLSA-N 0 0 343.383 2.981 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)ccc21 ZINC000246899532 536395843 /nfs/dbraw/zinc/39/58/43/536395843.db2.gz MAXIGOSSALYYHJ-CGTJXYLNSA-N 0 0 343.471 2.682 10 10 EFCERN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1OC ZINC000302534724 536788645 /nfs/dbraw/zinc/78/86/45/536788645.db2.gz DOLIUJUCKPNHII-UHFFFAOYSA-N 0 0 329.400 2.863 10 10 EFCERN COc1cc(O)c(CN[C@@H](C)c2nnc3n2CCCCC3)cc1OC ZINC000361985877 536856690 /nfs/dbraw/zinc/85/66/90/536856690.db2.gz LPKWBTICDLYFMY-LBPRGKRZSA-N 0 0 346.431 2.578 10 10 EFCERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)CC12CCCCC2 ZINC000754008620 575375077 /nfs/dbraw/zinc/37/50/77/575375077.db2.gz CLDGNXRXMZXKIQ-UHFFFAOYSA-N 0 0 349.496 2.814 10 10 EFCERN Cc1cc(C)c(O)c(CN2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730667 575479242 /nfs/dbraw/zinc/47/92/42/575479242.db2.gz VNYLPMJROZVREE-HNNXBMFYSA-N 0 0 329.400 2.843 10 10 EFCERN Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000754863559 575505324 /nfs/dbraw/zinc/50/53/24/575505324.db2.gz KUTZUUNHNSMJHL-UHFFFAOYSA-N 0 0 329.791 2.796 10 10 EFCERN C[C@H](NC(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccc(N(C)C)cc1 ZINC000755273587 575569014 /nfs/dbraw/zinc/56/90/14/575569014.db2.gz FBEYVGFEZPABPG-ZDUSSCGKSA-N 0 0 340.427 2.682 10 10 EFCERN COc1cccc(CNC(=O)c2cc(OC)c(OC)cc2C)c1O ZINC000755775345 575631692 /nfs/dbraw/zinc/63/16/92/575631692.db2.gz QOHJUCXWCHDRBZ-UHFFFAOYSA-N 0 0 331.368 2.656 10 10 EFCERN COc1ccc(N2CCN(CCNc3ncccc3Cl)CC2)cc1 ZINC000756119039 575687434 /nfs/dbraw/zinc/68/74/34/575687434.db2.gz GUAVDHLYWYUCDZ-UHFFFAOYSA-N 0 0 346.862 2.978 10 10 EFCERN CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573357 575764480 /nfs/dbraw/zinc/76/44/80/575764480.db2.gz AMZZVTSMXJOGRT-NTCNTBNZSA-N 0 0 338.242 2.713 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000756596487 575766607 /nfs/dbraw/zinc/76/66/07/575766607.db2.gz DRQFLGKUKRFKTJ-CYBMUJFWSA-N 0 0 331.416 2.882 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000756616011 575768100 /nfs/dbraw/zinc/76/81/00/575768100.db2.gz YLDFZVBDITZQLO-DGCLKSJQSA-N 0 0 336.386 2.724 10 10 EFCERN Cc1noc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000756684468 575776846 /nfs/dbraw/zinc/77/68/46/575776846.db2.gz AZTABSGSDUKHMJ-ZETCQYMHSA-N 0 0 344.184 2.879 10 10 EFCERN CN(Cc1ccc(F)cc1F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000757509560 575841284 /nfs/dbraw/zinc/84/12/84/575841284.db2.gz WZSRGMHVBHWARH-UHFFFAOYSA-N 0 0 349.293 2.840 10 10 EFCERN C[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(Cl)c1[O-] ZINC000757655233 575847792 /nfs/dbraw/zinc/84/77/92/575847792.db2.gz IUDWRIBEIWKCTL-ZETCQYMHSA-N 0 0 345.628 2.787 10 10 EFCERN COc1cc(OC)c2ncnc(NCCc3ccc(O)c(O)c3)c2c1 ZINC000757701965 575850752 /nfs/dbraw/zinc/85/07/52/575850752.db2.gz DWAOGHGOIFUPBD-UHFFFAOYSA-N 0 0 341.367 2.713 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CC(C)(C)c3ccccc32)c1 ZINC000757770372 575852523 /nfs/dbraw/zinc/85/25/23/575852523.db2.gz CUAUTKZTAFUBIY-HJWRWDBZSA-N 0 0 335.407 2.779 10 10 EFCERN O=C(OCCCc1nc(-c2cccs2)no1)c1cccc(O)c1O ZINC000758571513 575873070 /nfs/dbraw/zinc/87/30/70/575873070.db2.gz FUDLAVZKSSKVMP-UHFFFAOYSA-N 0 0 346.364 2.999 10 10 EFCERN COC(=O)c1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)c(C)o1 ZINC000759593877 575905891 /nfs/dbraw/zinc/90/58/91/575905891.db2.gz JXJRBJBZLFNLDC-XQRVVYSFSA-N 0 0 332.308 2.542 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OCCOCCOc1ccccc1 ZINC000759598325 575907142 /nfs/dbraw/zinc/90/71/42/575907142.db2.gz WHDIRHHWBGYZIY-VQHVLOKHSA-N 0 0 344.363 2.750 10 10 EFCERN CCN(CC)c1ccc(CN2C(=O)N[C@@H](CC3CC3)C2=O)cc1F ZINC000761249483 576135619 /nfs/dbraw/zinc/13/56/19/576135619.db2.gz JWBRLDAHYMPYSY-HNNXBMFYSA-N 0 0 333.407 2.892 10 10 EFCERN CC(C)C[C@@H]1C(=O)N(CCCSc2nccs2)C(=O)N1C ZINC000761298304 576142431 /nfs/dbraw/zinc/14/24/31/576142431.db2.gz MLGDEXYZTJDXTG-LLVKDONJSA-N 0 0 327.475 2.934 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000762180292 576270954 /nfs/dbraw/zinc/27/09/54/576270954.db2.gz ZLHMNHQLXVHGCX-UHFFFAOYSA-N 0 0 346.362 2.905 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000762800488 576332530 /nfs/dbraw/zinc/33/25/30/576332530.db2.gz QTNYPOZASZRFQN-SNVBAGLBSA-N 0 0 346.339 2.836 10 10 EFCERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000762921082 576347134 /nfs/dbraw/zinc/34/71/34/576347134.db2.gz PEQAOJNSIXGFRE-CMPLNLGQSA-N 0 0 340.445 2.829 10 10 EFCERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(N(C)C)c(F)c1 ZINC000763476490 576378637 /nfs/dbraw/zinc/37/86/37/576378637.db2.gz BRRHRLHXIUYGAC-KRWDZBQOSA-N 0 0 345.418 2.551 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(CO)c2)c1 ZINC000764157009 576437281 /nfs/dbraw/zinc/43/72/81/576437281.db2.gz IYBOCZDGLDCHTH-STQMWFEESA-N 0 0 345.395 2.538 10 10 EFCERN CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765002331 576535235 /nfs/dbraw/zinc/53/52/35/576535235.db2.gz ZWTJUDFRGPXAEX-RDJZCZTQSA-N 0 0 345.487 2.687 10 10 EFCERN O=C(NCCOCC1CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000765300850 577029688 /nfs/dbraw/zinc/02/96/88/577029688.db2.gz HHNZPAKYYBJBKN-UHFFFAOYSA-N 0 0 332.444 2.887 10 10 EFCERN COc1ccc(N2CCN(CCNC(=O)[C@H](C)CC(C)C)CC2)cc1 ZINC000765325673 577032122 /nfs/dbraw/zinc/03/21/22/577032122.db2.gz YWSMJVCOWGGYLR-QGZVFWFLSA-N 0 0 347.503 2.616 10 10 EFCERN COC(=O)C1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000766340106 577137496 /nfs/dbraw/zinc/13/74/96/577137496.db2.gz VENHXPJQCQAGMA-UHFFFAOYSA-N 0 0 340.423 2.706 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000767305178 577203363 /nfs/dbraw/zinc/20/33/63/577203363.db2.gz YSDPCRCLPZFUPH-GQCTYLIASA-N 0 0 334.372 2.644 10 10 EFCERN CCOC(=O)CN(Cc1cc(Cl)cc(OC)c1O)C1CCC1 ZINC000768531124 577281060 /nfs/dbraw/zinc/28/10/60/577281060.db2.gz UMDGEIMDAUUYDL-UHFFFAOYSA-N 0 0 327.808 2.972 10 10 EFCERN COC(=O)c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1F ZINC000769028502 577325212 /nfs/dbraw/zinc/32/52/12/577325212.db2.gz SHLJBUUAQYTWBS-SNVBAGLBSA-N 0 0 347.342 2.818 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000769283468 577349013 /nfs/dbraw/zinc/34/90/13/577349013.db2.gz WKYCEXUXANRDEA-UHFFFAOYSA-N 0 0 340.305 2.610 10 10 EFCERN CCN(CC(=O)OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769317425 577351629 /nfs/dbraw/zinc/35/16/29/577351629.db2.gz PKUQJBZXMNRFMN-UHFFFAOYSA-N 0 0 335.404 2.580 10 10 EFCERN COc1cccc(O)c1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769328978 577352641 /nfs/dbraw/zinc/35/26/41/577352641.db2.gz IMYCGTQLHGKYJV-MRXNPFEDSA-N 0 0 326.396 2.638 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCOC[C@H]2C(=O)OC)cc1 ZINC000769398314 577359135 /nfs/dbraw/zinc/35/91/35/577359135.db2.gz JMGZFPXGUKXABC-SFHVURJKSA-N 0 0 334.460 2.687 10 10 EFCERN COc1cccc(O)c1CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000769414411 577360801 /nfs/dbraw/zinc/36/08/01/577360801.db2.gz USEUNULFHCPURZ-INIZCTEOSA-N 0 0 344.386 2.777 10 10 EFCERN CCOc1ccc(CN2CC[S@@](=O)C(CC)(CC)C2)c(O)c1 ZINC000769554894 577372124 /nfs/dbraw/zinc/37/21/24/577372124.db2.gz BTWWDOYVUOBIOH-JOCHJYFZSA-N 0 0 325.474 2.914 10 10 EFCERN CCC(=O)COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664536 577377546 /nfs/dbraw/zinc/37/75/46/577377546.db2.gz GXKANLQEBHIMRK-UHFFFAOYSA-N 0 0 342.439 2.930 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](CO)c2ccsc2)c1[O-] ZINC000769936246 577394176 /nfs/dbraw/zinc/39/41/76/577394176.db2.gz VCFHJOYHSIKPRW-LLVKDONJSA-N 0 0 328.777 2.839 10 10 EFCERN Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000770032517 577398548 /nfs/dbraw/zinc/39/85/48/577398548.db2.gz LHEWZPIZWDQMST-QGZVFWFLSA-N 0 0 326.396 2.756 10 10 EFCERN CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000770279745 577409740 /nfs/dbraw/zinc/40/97/40/577409740.db2.gz SVPOLZAIEHIXNJ-CQSZACIVSA-N 0 0 342.443 2.861 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000771632252 581228865 /nfs/dbraw/zinc/22/88/65/581228865.db2.gz FJXSBKBILCLBPC-SFHVURJKSA-N 0 0 341.455 2.805 10 10 EFCERN COc1cc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)cc1C ZINC000771637186 581229213 /nfs/dbraw/zinc/22/92/13/581229213.db2.gz QWBYOMLEMQMGFL-MRXNPFEDSA-N 0 0 345.443 2.633 10 10 EFCERN Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)n2C)c(O)c1O ZINC000771936025 581261946 /nfs/dbraw/zinc/26/19/46/581261946.db2.gz CCDVTKRSOKNTSQ-UHFFFAOYSA-N 0 0 339.351 2.559 10 10 EFCERN COc1c(O)c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1[N+](=O)[O-] ZINC000772179533 581293041 /nfs/dbraw/zinc/29/30/41/581293041.db2.gz UPOUMZOOZLOMOC-AWEZNQCLSA-N 0 0 349.730 2.817 10 10 EFCERN C[C@@H](Nc1ccnc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000772298011 581304889 /nfs/dbraw/zinc/30/48/89/581304889.db2.gz PQIZLPFUJKKOHU-CQSZACIVSA-N 0 0 327.432 2.552 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)CN(C)c2ccc(Cl)cn2)c1 ZINC000772452420 581324621 /nfs/dbraw/zinc/32/46/21/581324621.db2.gz ILONAKVVKCKWSF-NSHDSACASA-N 0 0 349.818 2.763 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000772454210 581324915 /nfs/dbraw/zinc/32/49/15/581324915.db2.gz UAMCPFGIGOPHMJ-WMZOPIPTSA-N 0 0 326.396 2.969 10 10 EFCERN Cn1nccc1CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000772520682 581335523 /nfs/dbraw/zinc/33/55/23/581335523.db2.gz WQZJIDXMYUKSPQ-UHFFFAOYSA-N 0 0 326.444 2.659 10 10 EFCERN CCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c1C ZINC000772768495 581365713 /nfs/dbraw/zinc/36/57/13/581365713.db2.gz KJLGQPUPSANKMN-VURMDHGXSA-N 0 0 343.379 2.975 10 10 EFCERN Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772777446 581367109 /nfs/dbraw/zinc/36/71/09/581367109.db2.gz UXTLXXKCYSFFTO-SOFGYWHQSA-N 0 0 327.336 2.601 10 10 EFCERN CCN(C[C@H]1CCOC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000772897641 581379360 /nfs/dbraw/zinc/37/93/60/581379360.db2.gz KOZBXZLODBDLFJ-HZRUHFOJSA-N 0 0 334.372 2.644 10 10 EFCERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773002068 581386799 /nfs/dbraw/zinc/38/67/99/581386799.db2.gz XCTQDCHAZPAUGW-GJZGRUSLSA-N 0 0 339.439 2.748 10 10 EFCERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773002071 581386802 /nfs/dbraw/zinc/38/68/02/581386802.db2.gz XCTQDCHAZPAUGW-LSDHHAIUSA-N 0 0 339.439 2.748 10 10 EFCERN COc1cc2c(cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000773014943 581387961 /nfs/dbraw/zinc/38/79/61/581387961.db2.gz NVYSURJWPHQUFE-GFCCVEGCSA-N 0 0 342.395 2.981 10 10 EFCERN C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000773023806 581388934 /nfs/dbraw/zinc/38/89/34/581388934.db2.gz KLOMRLJTOGAOQU-HNNXBMFYSA-N 0 0 349.438 2.889 10 10 EFCERN Cc1nnc2c(N3CC=C(c4ccc(Cl)nc4)CC3)nccn12 ZINC000773246801 581409633 /nfs/dbraw/zinc/40/96/33/581409633.db2.gz DTLATGMMCMQGNJ-UHFFFAOYSA-N 0 0 326.791 2.775 10 10 EFCERN C[C@@H](NC(=O)NCc1noc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000773417127 581428464 /nfs/dbraw/zinc/42/84/64/581428464.db2.gz BWPFPOKQTNLPCR-LLVKDONJSA-N 0 0 329.404 2.573 10 10 EFCERN COc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000773748513 581461083 /nfs/dbraw/zinc/46/10/83/581461083.db2.gz LFGXNYRIWPGTED-GFCCVEGCSA-N 0 0 345.395 2.784 10 10 EFCERN CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1c(C)noc1C ZINC000773760844 581462656 /nfs/dbraw/zinc/46/26/56/581462656.db2.gz LZEORMNVGMDFEM-YGRLFVJLSA-N 0 0 332.400 2.944 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)COc1ccccc1 ZINC000773762282 581462695 /nfs/dbraw/zinc/46/26/95/581462695.db2.gz HFPPKJUOECLSSF-UONOGXRCSA-N 0 0 329.396 2.860 10 10 EFCERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773988393 581477202 /nfs/dbraw/zinc/47/72/02/581477202.db2.gz KJYWOBKAHRYNPD-PBHICJAKSA-N 0 0 348.491 2.808 10 10 EFCERN C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774376033 581490466 /nfs/dbraw/zinc/49/04/66/581490466.db2.gz WDDZZPQTWHMUEB-QMMMGPOBSA-N 0 0 338.256 2.784 10 10 EFCERN Cc1nc([C@H]2CCCN2Cc2cc3c(cc2O)OC[C@H]3O)cs1 ZINC000774595810 581494956 /nfs/dbraw/zinc/49/49/56/581494956.db2.gz RRDRZYADBVECSV-GDBMZVCRSA-N 0 0 332.425 2.920 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774941650 581504760 /nfs/dbraw/zinc/50/47/60/581504760.db2.gz BZVWOGOPDRSULH-OAHLLOKOSA-N 0 0 328.368 2.956 10 10 EFCERN C[C@@H]1C[C@@H]1n1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001707998779 1248810918 /nfs/dbraw/zinc/81/09/18/1248810918.db2.gz ATURHBHGINFAPD-YUELXQCFSA-N 0 0 328.416 2.705 10 10 EFCERN CC[C@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CCO1 ZINC001744977987 1248946085 /nfs/dbraw/zinc/94/60/85/1248946085.db2.gz WZDACSHPMHCWPL-SFHVURJKSA-N 0 0 343.475 2.624 10 10 EFCERN CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000850343487 1250439135 /nfs/dbraw/zinc/43/91/35/1250439135.db2.gz UCXIGWSHWPQEHC-FZMZJTMJSA-N 0 0 344.249 2.604 10 10 EFCERN CO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000850343486 1250439346 /nfs/dbraw/zinc/43/93/46/1250439346.db2.gz UCXIGWSHWPQEHC-BXUZGUMPSA-N 0 0 344.249 2.604 10 10 EFCERN COc1ccc(N2CC[C@@H](NCc3nn(C)c(C)c3Cl)C2)cc1 ZINC000850346754 1250440318 /nfs/dbraw/zinc/44/03/18/1250440318.db2.gz IYIRTGUYORYITE-CYBMUJFWSA-N 0 0 334.851 2.759 10 10 EFCERN COc1ccc(N2CC[C@H](NCc3nn(C)c(C)c3Cl)C2)cc1 ZINC000850346756 1250440985 /nfs/dbraw/zinc/44/09/85/1250440985.db2.gz IYIRTGUYORYITE-ZDUSSCGKSA-N 0 0 334.851 2.759 10 10 EFCERN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000850383335 1250456380 /nfs/dbraw/zinc/45/63/80/1250456380.db2.gz BOSHMNZJIYUYRI-XJKSGUPXSA-N 0 0 330.388 2.535 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850388257 1250459873 /nfs/dbraw/zinc/45/98/73/1250459873.db2.gz KGVQTKKNLTZYKY-OLZOCXBDSA-N 0 0 326.234 2.856 10 10 EFCERN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850497598 1250511743 /nfs/dbraw/zinc/51/17/43/1250511743.db2.gz VYNBISPLIBNTRM-WODJRTHDSA-N 0 0 331.306 2.632 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850501759 1250514035 /nfs/dbraw/zinc/51/40/35/1250514035.db2.gz PEASIZYFMXSHHJ-FIRUKDTASA-N 0 0 338.404 2.517 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N)cc3Cl)C2)cc1 ZINC000851640519 1251160452 /nfs/dbraw/zinc/16/04/52/1251160452.db2.gz XDBGPQOJOWZCLC-CYBMUJFWSA-N 0 0 345.830 2.940 10 10 EFCERN COc1ccc(N2CCN(Cc3cnc4ccccc4n3)CC2)cc1 ZINC000851715032 1251221183 /nfs/dbraw/zinc/22/11/83/1251221183.db2.gz XYRNIGILTUBCNO-UHFFFAOYSA-N 0 0 334.423 2.961 10 10 EFCERN COC(=O)C(C)(C)CN(CC(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000921578662 1257482929 /nfs/dbraw/zinc/48/29/29/1257482929.db2.gz MFUWYDVTNRVEMJ-CLFYSBASSA-N 0 0 349.427 2.795 10 10 EFCERN CCc1nnc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000708137897 1259679278 /nfs/dbraw/zinc/67/92/78/1259679278.db2.gz GIVZBJSPUDJHCJ-UHFFFAOYSA-N 0 0 345.628 2.778 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000921696994 1261169070 /nfs/dbraw/zinc/16/90/70/1261169070.db2.gz FDNAZEPWOSLMEC-MRVWCRGKSA-N 0 0 342.461 2.710 10 10 EFCERN Cc1ccnc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000791516560 1278146803 /nfs/dbraw/zinc/14/68/03/1278146803.db2.gz KRHRQRJZZJBUOF-UHFFFAOYSA-N 0 0 343.342 2.813 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C\c1cccnc1 ZINC001128177417 1263224615 /nfs/dbraw/zinc/22/46/15/1263224615.db2.gz FXNGNKKZULYLHP-KTKRTIGZSA-N 0 0 326.352 2.553 10 10 EFCERN C[C@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 ZINC000922056348 1264230738 /nfs/dbraw/zinc/23/07/38/1264230738.db2.gz YOVHEPRHHFJLML-SCNOPHJPSA-N 0 0 329.444 2.704 10 10 EFCERN CO[C@]1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCSC1 ZINC000922056289 1264230866 /nfs/dbraw/zinc/23/08/66/1264230866.db2.gz XSTJOUMGWHYYGO-GUYCJALGSA-N 0 0 337.489 2.635 10 10 EFCERN CO[C@@]1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCSC1 ZINC000922056290 1264231227 /nfs/dbraw/zinc/23/12/27/1264231227.db2.gz XSTJOUMGWHYYGO-SUMWQHHRSA-N 0 0 337.489 2.635 10 10 EFCERN CC(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccnn1C ZINC000922146589 1264532112 /nfs/dbraw/zinc/53/21/12/1264532112.db2.gz VISPTRNAMHGIET-GFCCVEGCSA-N 0 0 334.395 2.504 10 10 EFCERN Cc1cc(CCNC(=O)c2cccn(C)c2=O)c(C)n1-c1ccccc1 ZINC000733124788 1265097497 /nfs/dbraw/zinc/09/74/97/1265097497.db2.gz BPDBRSAFSNSICF-UHFFFAOYSA-N 0 0 349.434 2.765 10 10 EFCERN Oc1ccccc1C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613389 1265316951 /nfs/dbraw/zinc/31/69/51/1265316951.db2.gz QOCDSCMJGXXCED-RTBURBONSA-N 0 0 349.471 2.693 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000922729773 1266699038 /nfs/dbraw/zinc/69/90/38/1266699038.db2.gz UPXPMUDTNATDLK-CXAGYDPISA-N 0 0 345.374 2.646 10 10 EFCERN COc1cccc(C[C@@H](C)NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000734068987 1266848930 /nfs/dbraw/zinc/84/89/30/1266848930.db2.gz IAIDUGQHXWYJKF-CYBMUJFWSA-N 0 0 344.411 2.840 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001626085571 1266853326 /nfs/dbraw/zinc/85/33/26/1266853326.db2.gz MJXXYZDTNGQVMB-UHFFFAOYSA-N 0 0 342.399 2.953 10 10 EFCERN Cc1cc(CCNC(=O)NCC[C@H](C)O)c(C)n1-c1ccccc1 ZINC000734212707 1266913707 /nfs/dbraw/zinc/91/37/07/1266913707.db2.gz BHILHJMBGCLBTN-HNNXBMFYSA-N 0 0 329.444 2.707 10 10 EFCERN COc1cc2cc(C(=O)NCc3ccccc3O)[nH]c2cc1OC ZINC000735686346 1267405441 /nfs/dbraw/zinc/40/54/41/1267405441.db2.gz QVBIBCDFKMWYPX-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccc(O)c(O)c1 ZINC000735979951 1267478718 /nfs/dbraw/zinc/47/87/18/1267478718.db2.gz QLNZKXAERIECPV-UHFFFAOYSA-N 0 0 346.286 2.587 10 10 EFCERN CCOC(=O)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)nc1 ZINC001128603802 1268933587 /nfs/dbraw/zinc/93/35/87/1268933587.db2.gz NSUGKLYGIHZURG-UHFFFAOYSA-N 0 0 346.730 2.700 10 10 EFCERN O=S1(=O)CCN(Cc2ccc(N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000825200828 1278461497 /nfs/dbraw/zinc/46/14/97/1278461497.db2.gz GYPIDNYLROMWGJ-OALUTQOASA-N 0 0 348.512 2.828 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C)[C@@H](C)C3)c2C)cc1 ZINC000742195673 1269929515 /nfs/dbraw/zinc/92/95/15/1269929515.db2.gz HNFOLPVZYAYHSO-HNNXBMFYSA-N 0 0 341.455 2.879 10 10 EFCERN Cn1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1=O ZINC000743428653 1270572496 /nfs/dbraw/zinc/57/24/96/1270572496.db2.gz GIFXCDJSSYBHGS-UHFFFAOYSA-N 0 0 338.363 2.527 10 10 EFCERN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(O)c1O ZINC001143633964 1278614858 /nfs/dbraw/zinc/61/48/58/1278614858.db2.gz FVLUCKDZVIEZMU-UHFFFAOYSA-N 0 0 348.786 2.840 10 10 EFCERN O=C(Cc1cccnc1)N1CCOc2ccc(N3CCCC3)cc2C1 ZINC000581789308 1271767799 /nfs/dbraw/zinc/76/77/99/1271767799.db2.gz UKQKVQDFNQUYCK-UHFFFAOYSA-N 0 0 337.423 2.646 10 10 EFCERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(OC)cc1 ZINC000746108834 1271790396 /nfs/dbraw/zinc/79/03/96/1271790396.db2.gz FMVMBWFMSWDZKD-QZTJIDSGSA-N 0 0 332.444 2.692 10 10 EFCERN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844218767 1278793863 /nfs/dbraw/zinc/79/38/63/1278793863.db2.gz PVEXRHDFTFKFMO-DOMBMUJNSA-N 0 0 345.399 2.756 10 10 EFCERN C[C@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000785495948 1275098789 /nfs/dbraw/zinc/09/87/89/1275098789.db2.gz SMEZKINUPFVKQH-CXAGYDPISA-N 0 0 339.457 2.644 10 10 EFCERN Cc1ccc(NCc2ccccc2O)cc1C(=O)N1CCOCC1 ZINC000785538371 1275111248 /nfs/dbraw/zinc/11/12/48/1275111248.db2.gz IUBYJCGJEYJKKE-UHFFFAOYSA-N 0 0 326.396 2.785 10 10 EFCERN Cc1cc(CCNC(=O)[C@](C)(O)C2CC2)c(C)n1-c1ccccc1 ZINC000804189771 1275469803 /nfs/dbraw/zinc/46/98/03/1275469803.db2.gz JOGMXSWSUBYAOX-HXUWFJFHSA-N 0 0 326.440 2.914 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](O)CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC000787362511 1275759541 /nfs/dbraw/zinc/75/95/41/1275759541.db2.gz IAQIFKRLYXZQDA-INIZCTEOSA-N 0 0 348.393 2.979 10 10 EFCERN CC1(C)CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000787469184 1275792040 /nfs/dbraw/zinc/79/20/40/1275792040.db2.gz STOANYAWJYFQAT-DOTOQJQBSA-N 0 0 333.428 2.857 10 10 EFCERN C[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000788079216 1276032121 /nfs/dbraw/zinc/03/21/21/1276032121.db2.gz WBCHJZCYTPSBBK-AWEZNQCLSA-N 0 0 347.484 2.858 10 10 EFCERN COc1ccc(O)c(CNC(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000817775095 1276296514 /nfs/dbraw/zinc/29/65/14/1276296514.db2.gz ROWQDZFQSDSZOY-CYBMUJFWSA-N 0 0 336.457 2.733 10 10 EFCERN CC(C)Oc1cc(NC(=O)NCc2ccccc2O)ccc1C(N)=O ZINC000788774175 1276323206 /nfs/dbraw/zinc/32/32/06/1276323206.db2.gz HIJRTRVHSUNCAK-UHFFFAOYSA-N 0 0 343.383 2.600 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000788954893 1276409890 /nfs/dbraw/zinc/40/98/90/1276409890.db2.gz OBCURZKZYABVOU-OAHLLOKOSA-N 0 0 333.476 2.557 10 10 EFCERN CO[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@@H]1C ZINC000817996989 1276407026 /nfs/dbraw/zinc/40/70/26/1276407026.db2.gz IGKPKFKNOGKIRF-BLLLJJGKSA-N 0 0 345.468 2.813 10 10 EFCERN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969703 1276411946 /nfs/dbraw/zinc/41/19/46/1276411946.db2.gz YFOFFGCUZGKGNC-RVBZMBCESA-N 0 0 331.229 2.942 10 10 EFCERN CC(C)c1csc(N2C(=O)CN(Cc3ccccc3O)C2=O)n1 ZINC000819007693 1276569818 /nfs/dbraw/zinc/56/98/18/1276569818.db2.gz CYUZDXGRTGTFDO-UHFFFAOYSA-N 0 0 331.397 2.941 10 10 EFCERN CC(C)n1ncnc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789300462 1276630163 /nfs/dbraw/zinc/63/01/63/1276630163.db2.gz NLLWEQFXHXBZAL-HNNXBMFYSA-N 0 0 329.448 2.546 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000819164325 1276650234 /nfs/dbraw/zinc/65/02/34/1276650234.db2.gz GXKUTEFIOYLNHQ-HOTGVXAUSA-N 0 0 340.354 2.852 10 10 EFCERN CC(C)[C@@H]1C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)CCO1 ZINC000819169632 1276652858 /nfs/dbraw/zinc/65/28/58/1276652858.db2.gz NMAOZXCTMJROOK-YOEHRIQHSA-N 0 0 346.427 2.608 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](c1cccnc1)C1CC1 ZINC000819170706 1276654148 /nfs/dbraw/zinc/65/41/48/1276654148.db2.gz MRZJATIOVCCOSC-SFHVURJKSA-N 0 0 337.379 2.703 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC12CCSCC2 ZINC000819172522 1276655694 /nfs/dbraw/zinc/65/56/94/1276655694.db2.gz YZJTYEXHXZCPRZ-CQSZACIVSA-N 0 0 346.452 2.690 10 10 EFCERN Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000746813966 1276734796 /nfs/dbraw/zinc/73/47/96/1276734796.db2.gz BIUXBRICEDOHMD-HNNXBMFYSA-N 0 0 326.444 2.760 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cccnc1OC1CCCC1 ZINC001136216928 1276746467 /nfs/dbraw/zinc/74/64/67/1276746467.db2.gz FSVSOJQJVZORBD-UHFFFAOYSA-N 0 0 342.395 2.673 10 10 EFCERN COCc1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000819580368 1276822988 /nfs/dbraw/zinc/82/29/88/1276822988.db2.gz IPADGTXMDSISMT-CQSZACIVSA-N 0 0 344.411 2.691 10 10 EFCERN CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc(F)ccc1O ZINC000789578004 1276824223 /nfs/dbraw/zinc/82/42/23/1276824223.db2.gz PDMCRHQUURUCDG-CQSZACIVSA-N 0 0 327.396 2.758 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)C3(C(F)(F)F)CC3)C2)cc1 ZINC000819582153 1276825189 /nfs/dbraw/zinc/82/51/89/1276825189.db2.gz IRLFHLRPWKZKAZ-LBPRGKRZSA-N 0 0 342.361 2.980 10 10 EFCERN CCOC(=O)[C@H](CCOC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000789578813 1276828137 /nfs/dbraw/zinc/82/81/37/1276828137.db2.gz SXEUDNACICGYCW-INIZCTEOSA-N 0 0 335.444 2.848 10 10 EFCERN CCOC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)[C@@H]1CCCOC1 ZINC000789581092 1276829363 /nfs/dbraw/zinc/82/93/63/1276829363.db2.gz OJPUMUZFCZUGCQ-IUODEOHRSA-N 0 0 341.835 2.802 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000819591106 1276833749 /nfs/dbraw/zinc/83/37/49/1276833749.db2.gz ONJQBKIZPHFOAJ-NILFDRSVSA-N 0 0 342.361 2.836 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](O)CC(C)(C)C)C2)cc1 ZINC000819591478 1276833966 /nfs/dbraw/zinc/83/39/66/1276833966.db2.gz SCPTWUKLUIENRV-WBVHZDCISA-N 0 0 348.487 2.825 10 10 EFCERN Cc1ccc(OCCCCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001136272402 1276926064 /nfs/dbraw/zinc/92/60/64/1276926064.db2.gz HAVUXHQWEUNZPE-UHFFFAOYSA-N 0 0 329.396 2.924 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC000819973921 1276956916 /nfs/dbraw/zinc/95/69/16/1276956916.db2.gz FTYDMIJDJOHUCF-UHFFFAOYSA-N 0 0 344.463 2.547 10 10 EFCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000819974779 1276956921 /nfs/dbraw/zinc/95/69/21/1276956921.db2.gz RQZIQVCFXAKQKL-QFBILLFUSA-N 0 0 346.471 2.687 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000820005300 1276967613 /nfs/dbraw/zinc/96/76/13/1276967613.db2.gz ORCPEWYEQFVCIH-BBRMVZONSA-N 0 0 342.447 2.582 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnc([C@H](C)O)s2)cc1 ZINC001136300560 1277014745 /nfs/dbraw/zinc/01/47/45/1277014745.db2.gz VKXGISKPCIVKIU-LBPRGKRZSA-N 0 0 333.457 2.973 10 10 EFCERN COc1ccc(OC)c([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789944697 1277107902 /nfs/dbraw/zinc/10/79/02/1277107902.db2.gz WQZJTTUVVSHWCD-VIFPVBQESA-N 0 0 335.331 2.745 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCc2[nH]c3ccccc3c2C1 ZINC000789946682 1277112608 /nfs/dbraw/zinc/11/26/08/1277112608.db2.gz MBGRXOCLOUWOBC-UHFFFAOYSA-N 0 0 326.327 2.917 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000844470233 1279027099 /nfs/dbraw/zinc/02/70/99/1279027099.db2.gz MWYSHYWUOFRDKE-HUUCEWRRSA-N 0 0 339.819 2.626 10 10 EFCERN COc1ccc2[nH]cc(C3=CCN(c4cnc(CO)cn4)CC3)c2c1 ZINC000820629495 1277254225 /nfs/dbraw/zinc/25/42/25/1277254225.db2.gz LHWTYPHPQFZJIY-UHFFFAOYSA-N 0 0 336.395 2.753 10 10 EFCERN Cc1cc(CC(=O)N(CC(N)=O)CC(C)C)c(C)n1-c1ccccc1 ZINC000820966273 1277384147 /nfs/dbraw/zinc/38/41/47/1277384147.db2.gz NBTCWEZUOTULNC-UHFFFAOYSA-N 0 0 341.455 2.607 10 10 EFCERN CC(C)n1ncc2c1C[C@@H](NC(=O)NCc1ccccc1O)CC2 ZINC000790264049 1277405880 /nfs/dbraw/zinc/40/58/80/1277405880.db2.gz GIXULGVGNFRHPL-HNNXBMFYSA-N 0 0 328.416 2.526 10 10 EFCERN Cc1cc(CC(=O)N2CCC[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000821358552 1277529090 /nfs/dbraw/zinc/52/90/90/1277529090.db2.gz DBBBDGFUPVKGTH-KRWDZBQOSA-N 0 0 326.440 2.868 10 10 EFCERN Cc1c(CN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000790526099 1277630871 /nfs/dbraw/zinc/63/08/71/1277630871.db2.gz VEQXQMHBWHPIIL-CYBMUJFWSA-N 0 0 329.448 2.697 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000790635960 1277689812 /nfs/dbraw/zinc/68/98/12/1277689812.db2.gz NOXTXHZHYSOHDT-UHFFFAOYSA-N 0 0 338.367 2.835 10 10 EFCERN O=C(Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)s1)C1CC1 ZINC001175032012 1287297057 /nfs/dbraw/zinc/29/70/57/1287297057.db2.gz XGHOPKZASWKHRQ-UHFFFAOYSA-N 0 0 328.393 2.958 10 10 EFCERN COC(=O)C(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790890211 1277832227 /nfs/dbraw/zinc/83/22/27/1277832227.db2.gz HWNWPKVAHFOOBF-INIZCTEOSA-N 0 0 343.379 2.768 10 10 EFCERN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815114574 1287310108 /nfs/dbraw/zinc/31/01/08/1287310108.db2.gz PNEXAKDSQNEYHZ-AYOQOUSVSA-N 0 0 346.471 2.906 10 10 EFCERN NC(=O)c1[nH]nc2ccc(NCc3c(O)ccc(Cl)c3F)cc21 ZINC000790980151 1277910579 /nfs/dbraw/zinc/91/05/79/1277910579.db2.gz IYTHDDKRJUHGTF-UHFFFAOYSA-N 0 0 334.738 2.772 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(OC)cn2)cc1 ZINC000844618315 1279126103 /nfs/dbraw/zinc/12/61/03/1279126103.db2.gz PRLUGRLREDJWQJ-UHFFFAOYSA-N 0 0 344.415 2.699 10 10 EFCERN CC1CCN(c2ccc(CN3C(=O)N[C@H](CCF)C3=O)cc2)CC1 ZINC000844713176 1279193548 /nfs/dbraw/zinc/19/35/48/1279193548.db2.gz AMZWHIZLBGANPF-MRXNPFEDSA-N 0 0 333.407 2.703 10 10 EFCERN Oc1ccc2ccncc2c1CN1CCn2c(CC3CC3)nnc2C1 ZINC000844718240 1279197442 /nfs/dbraw/zinc/19/74/42/1279197442.db2.gz DOIREKKXBFFAFK-UHFFFAOYSA-N 0 0 335.411 2.500 10 10 EFCERN Cn1nccc1[C@@H]1COCCN1Cc1cc2c(cc1O)CCCC2 ZINC000844757815 1279226519 /nfs/dbraw/zinc/22/65/19/1279226519.db2.gz SQSOQDMMZPDRBE-SFHVURJKSA-N 0 0 327.428 2.578 10 10 EFCERN C[C@@]1(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C[C@@]1(F)Cl ZINC000844736633 1279242155 /nfs/dbraw/zinc/24/21/55/1279242155.db2.gz WAAKJAACYBTZIE-CVEARBPZSA-N 0 0 340.782 2.861 10 10 EFCERN CCOc1ccc(CNC(=O)NCc2ccc(OC)cc2O)cc1F ZINC000792918402 1279275740 /nfs/dbraw/zinc/27/57/40/1279275740.db2.gz QQBSMTDIWJJHDP-UHFFFAOYSA-N 0 0 348.374 2.938 10 10 EFCERN CSc1cccnc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000844824277 1279278187 /nfs/dbraw/zinc/27/81/87/1279278187.db2.gz DUPMNXNDEHDPKU-SNVBAGLBSA-N 0 0 333.413 2.967 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC12CCCC2 ZINC000844898181 1279322498 /nfs/dbraw/zinc/32/24/98/1279322498.db2.gz UFYZDECYIRRWOO-UHFFFAOYSA-N 0 0 347.434 2.890 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCC(C3(O)CC3)CC2)cc1 ZINC000844898211 1279322662 /nfs/dbraw/zinc/32/26/62/1279322662.db2.gz HTHJONBUOSWVHF-UHFFFAOYSA-N 0 0 345.487 2.979 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844922046 1279343420 /nfs/dbraw/zinc/34/34/20/1279343420.db2.gz ZMRKKMQTINAICK-WFASDCNBSA-N 0 0 326.396 2.866 10 10 EFCERN C[C@H](NC(=O)N1CCCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000844927136 1279346493 /nfs/dbraw/zinc/34/64/93/1279346493.db2.gz NFTFDDISDUXWEK-HNNXBMFYSA-N 0 0 333.432 2.711 10 10 EFCERN CCN(Cc1cn(C)nn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793067159 1279352617 /nfs/dbraw/zinc/35/26/17/1279352617.db2.gz MLPPZHHPCSBDAS-UHFFFAOYSA-N 0 0 341.381 2.922 10 10 EFCERN CN(C)c1ccc(CN2C[C@H](O)CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000793166602 1279393957 /nfs/dbraw/zinc/39/39/57/1279393957.db2.gz AFQRDRPZFFWIKL-GFCCVEGCSA-N 0 0 338.320 2.973 10 10 EFCERN CCN(C(=O)NCCCSc1nccs1)[C@@H]1CCCOC1 ZINC000845046626 1279413255 /nfs/dbraw/zinc/41/32/55/1279413255.db2.gz PXWIJEFZLKOANP-GFCCVEGCSA-N 0 0 329.491 2.836 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000845132242 1279457395 /nfs/dbraw/zinc/45/73/95/1279457395.db2.gz VNBQKQKKPSWPLL-KRWDZBQOSA-N 0 0 349.475 2.730 10 10 EFCERN CCc1ncnc(CC)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000815150690 1287350428 /nfs/dbraw/zinc/35/04/28/1287350428.db2.gz DOFGNOFMMWFQIG-UHFFFAOYSA-N 0 0 330.407 2.737 10 10 EFCERN CCn1nccc1CN(CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000793303067 1279515631 /nfs/dbraw/zinc/51/56/31/1279515631.db2.gz CKQGRJWXYFKCGH-UHFFFAOYSA-N 0 0 342.487 2.888 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000845710906 1279791380 /nfs/dbraw/zinc/79/13/80/1279791380.db2.gz ZUIWIRGYRKAGSA-AGLBCWCQSA-N 0 0 348.399 2.626 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@]4(CC4(F)F)C3)cc2N1 ZINC000845743197 1279812398 /nfs/dbraw/zinc/81/23/98/1279812398.db2.gz RAKLMMJECLNXOO-AWEZNQCLSA-N 0 0 339.298 2.551 10 10 EFCERN Cc1nc(COC(C)(C)C)oc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000845833641 1279882109 /nfs/dbraw/zinc/88/21/09/1279882109.db2.gz NWDVORQABCBVSF-UHFFFAOYSA-N 0 0 348.399 2.682 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000846042417 1279997480 /nfs/dbraw/zinc/99/74/80/1279997480.db2.gz LLXQBHSTFWRNRX-OAHLLOKOSA-N 0 0 336.388 2.604 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045289 1279998480 /nfs/dbraw/zinc/99/84/80/1279998480.db2.gz STVAIDKFMQGRPT-KPZWWZAWSA-N 0 0 346.383 2.695 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045294 1279998767 /nfs/dbraw/zinc/99/87/67/1279998767.db2.gz STVAIDKFMQGRPT-SGTLLEGYSA-N 0 0 346.383 2.695 10 10 EFCERN O=C(NCCCSc1nccs1)N[C@H]1CNc2ccccc2C1 ZINC000846156134 1280040635 /nfs/dbraw/zinc/04/06/35/1280040635.db2.gz YEUYQSQDSZEBGD-CYBMUJFWSA-N 0 0 348.497 2.961 10 10 EFCERN CC(C)(C)OC(=O)CC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000843831980 1280048522 /nfs/dbraw/zinc/04/85/22/1280048522.db2.gz JHMOWOIOJAGNSA-UHFFFAOYSA-N 0 0 349.427 2.659 10 10 EFCERN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846253837 1280087796 /nfs/dbraw/zinc/08/77/96/1280087796.db2.gz HCHRPYSRIIJRMZ-FZMZJTMJSA-N 0 0 332.404 2.534 10 10 EFCERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000846440324 1280153516 /nfs/dbraw/zinc/15/35/16/1280153516.db2.gz OBXUCRYDYMTGDH-XBXGTLAGSA-N 0 0 345.830 2.741 10 10 EFCERN COc1ccc(CNC(=O)c2sc([C@H](C)OC)nc2C)c(O)c1 ZINC000794374382 1280159890 /nfs/dbraw/zinc/15/98/90/1280159890.db2.gz RCSTZFWQAITYOY-JTQLQIEISA-N 0 0 336.413 2.803 10 10 EFCERN COC(=O)[C@@H](CCF)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000846430462 1280165148 /nfs/dbraw/zinc/16/51/48/1280165148.db2.gz CBCIHZBWTUTLFQ-MRXNPFEDSA-N 0 0 332.375 2.725 10 10 EFCERN COC(=O)[C@H](CCF)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000846430460 1280165266 /nfs/dbraw/zinc/16/52/66/1280165266.db2.gz CBCIHZBWTUTLFQ-INIZCTEOSA-N 0 0 332.375 2.725 10 10 EFCERN COc1ccc(N2CCN([C@@H](C)c3cnc(C)cn3)CC2)cc1F ZINC000794397874 1280171744 /nfs/dbraw/zinc/17/17/44/1280171744.db2.gz HKKQHZQHYTYRND-AWEZNQCLSA-N 0 0 330.407 2.816 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[C@@]1(O)CCOC1 ZINC000846452492 1280172471 /nfs/dbraw/zinc/17/24/71/1280172471.db2.gz QKQLCXKSRJLORZ-HXUWFJFHSA-N 0 0 342.439 2.674 10 10 EFCERN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846455908 1280174304 /nfs/dbraw/zinc/17/43/04/1280174304.db2.gz HEKGELYJMHPHPV-CLFYSBASSA-N 0 0 347.411 2.691 10 10 EFCERN COc1ccc(N2CCN(c3ncc(SC)cn3)CC2)cc1F ZINC000804540168 1280277783 /nfs/dbraw/zinc/27/77/83/1280277783.db2.gz SLXVSCBANBALFN-UHFFFAOYSA-N 0 0 334.420 2.673 10 10 EFCERN CC(C)OCCCNC(=O)NCc1cc(Br)ccc1O ZINC000804871937 1280387391 /nfs/dbraw/zinc/38/73/91/1280387391.db2.gz XKUKXBLAZGSMHY-UHFFFAOYSA-N 0 0 345.237 2.769 10 10 EFCERN COc1ccc(C2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)nc1 ZINC000846660696 1280404118 /nfs/dbraw/zinc/40/41/18/1280404118.db2.gz WMKQYWXUDKLGQE-UHFFFAOYSA-N 0 0 346.358 2.660 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccn(C(C)(C)C)n3)CC2)cc1 ZINC000846769256 1280466667 /nfs/dbraw/zinc/46/66/67/1280466667.db2.gz ZJKVSUYYAJGBCF-UHFFFAOYSA-N 0 0 342.443 2.609 10 10 EFCERN Cc1cc(C(=O)NCc2cnn(C)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000805207992 1280488884 /nfs/dbraw/zinc/48/88/84/1280488884.db2.gz GTZKWBOHNDSOHN-UHFFFAOYSA-N 0 0 337.427 2.769 10 10 EFCERN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000872118847 1287433900 /nfs/dbraw/zinc/43/39/00/1287433900.db2.gz KBSSDRKAZJJIIO-CRMUJIHISA-N 0 0 327.421 2.538 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001146247366 1280846238 /nfs/dbraw/zinc/84/62/38/1280846238.db2.gz LIIFSWAPSRRSRL-SCLBCKFNSA-N 0 0 342.782 2.572 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001146247367 1280847058 /nfs/dbraw/zinc/84/70/58/1280847058.db2.gz LIIFSWAPSRRSRL-UGSOOPFHSA-N 0 0 342.782 2.572 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3C(F)F)CC2)cc1 ZINC000806014263 1280929504 /nfs/dbraw/zinc/92/95/04/1280929504.db2.gz RKAZAWWTNUNVHF-GJZGRUSLSA-N 0 0 339.386 2.571 10 10 EFCERN Nc1ccc(Cc2noc(C3([C@H]4CCCCO4)CCOCC3)n2)cc1 ZINC000872170043 1287458617 /nfs/dbraw/zinc/45/86/17/1287458617.db2.gz BIANVAYJPMMSLG-MRXNPFEDSA-N 0 0 343.427 2.860 10 10 EFCERN CC(C)(C)c1cnc(SC[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000806591374 1281112410 /nfs/dbraw/zinc/11/24/10/1281112410.db2.gz ZBWINTDXFMYACY-SNVBAGLBSA-N 0 0 334.532 2.814 10 10 EFCERN CN1CCCc2cc(CNC(=O)N3CCCCC[C@H]3CCO)ccc21 ZINC000806634432 1281118825 /nfs/dbraw/zinc/11/88/25/1281118825.db2.gz HBZSDJRRWALWRY-SFHVURJKSA-N 0 0 345.487 2.906 10 10 EFCERN C[C@@H](NC(=O)N1CCOC[C@@H]1CC(F)F)c1ccc(N(C)C)cc1 ZINC000807141793 1281224715 /nfs/dbraw/zinc/22/47/15/1281224715.db2.gz VWSQZISRLPTVLJ-DOMZBBRYSA-N 0 0 341.402 2.879 10 10 EFCERN C[C@@H](NC(=O)C(=O)NC1CCC2(CC2)CC1)c1ccc(N(C)C)cc1 ZINC000807552393 1281348236 /nfs/dbraw/zinc/34/82/36/1281348236.db2.gz XZCFRZVSQONFPR-CQSZACIVSA-N 0 0 343.471 2.769 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CSCCS1 ZINC000808094696 1281533333 /nfs/dbraw/zinc/53/33/33/1281533333.db2.gz BPWGLSCOHOTVIK-LLVKDONJSA-N 0 0 332.487 2.733 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000808093041 1281533578 /nfs/dbraw/zinc/53/35/78/1281533578.db2.gz FQFDVZXOZIHZAK-UHFFFAOYSA-N 0 0 347.411 2.787 10 10 EFCERN CO[C@@]1(C)C[C@H]1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001148477676 1281567928 /nfs/dbraw/zinc/56/79/28/1281567928.db2.gz FECMHSXTZZPWPT-MJGOQNOKSA-N 0 0 326.396 2.814 10 10 EFCERN COc1ccc(CNS(=O)(=O)Cc2ccc(C)c(C)c2)c(O)c1 ZINC000808311619 1281657881 /nfs/dbraw/zinc/65/78/81/1281657881.db2.gz OCELDFPURWBAOH-UHFFFAOYSA-N 0 0 335.425 2.637 10 10 EFCERN CC(=O)CCc1ccc2oc(C(=O)OCC(=O)C(C)=O)c(C)c2c1 ZINC000808499371 1281738558 /nfs/dbraw/zinc/73/85/58/1281738558.db2.gz VAEUEXIINPOZRA-UHFFFAOYSA-N 0 0 330.336 2.578 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000808501582 1281742026 /nfs/dbraw/zinc/74/20/26/1281742026.db2.gz LTUIXGAEOOXEQU-INIZCTEOSA-N 0 0 343.402 2.695 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(NCc2ccccc2C)cc1 ZINC000808503369 1281742624 /nfs/dbraw/zinc/74/26/24/1281742624.db2.gz BIRKWNTYVPVYOV-UHFFFAOYSA-N 0 0 325.364 2.922 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000808504266 1281743289 /nfs/dbraw/zinc/74/32/89/1281743289.db2.gz XZIKSLXEUKWXFR-UHFFFAOYSA-N 0 0 348.358 2.854 10 10 EFCERN CC(=O)C(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000808509610 1281747004 /nfs/dbraw/zinc/74/70/04/1281747004.db2.gz QSVAPMHRBARRDW-UHFFFAOYSA-N 0 0 343.813 2.769 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000808515950 1281749340 /nfs/dbraw/zinc/74/93/40/1281749340.db2.gz SJYPPGDQAPTNCM-UHFFFAOYSA-N 0 0 325.773 2.584 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(Cl)c(C)cc1Br ZINC000808551147 1281756475 /nfs/dbraw/zinc/75/64/75/1281756475.db2.gz ZYDSTWICQKQHMR-UHFFFAOYSA-N 0 0 333.565 2.726 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000808531078 1281762975 /nfs/dbraw/zinc/76/29/75/1281762975.db2.gz KDUYOYPRYPSBKL-ZDUSSCGKSA-N 0 0 338.359 2.722 10 10 EFCERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)C(C)=O ZINC000808534618 1281764599 /nfs/dbraw/zinc/76/45/99/1281764599.db2.gz RRVXLLLPEDXHPT-UHFFFAOYSA-N 0 0 339.369 2.802 10 10 EFCERN CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)C(C)=O ZINC000808546742 1281774367 /nfs/dbraw/zinc/77/43/67/1281774367.db2.gz ZDVIPTOSGFESFZ-UHFFFAOYSA-N 0 0 335.743 2.872 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001148941943 1281815334 /nfs/dbraw/zinc/81/53/34/1281815334.db2.gz CKOIAEAJCCECJT-CZUORRHYSA-N 0 0 347.436 2.817 10 10 EFCERN FC(F)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)nn1 ZINC000809350202 1282167227 /nfs/dbraw/zinc/16/72/27/1282167227.db2.gz NAMKORDUOMCUGP-UHFFFAOYSA-N 0 0 336.342 2.527 10 10 EFCERN COC(=O)[C@H](CF)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809775922 1282436593 /nfs/dbraw/zinc/43/65/93/1282436593.db2.gz YCACFIZHEDHZRD-SFHVURJKSA-N 0 0 342.414 2.850 10 10 EFCERN COc1cccc(CNCc2cnn(-c3cc(C)cc(C)c3)n2)c1O ZINC000809739988 1282438577 /nfs/dbraw/zinc/43/85/77/1282438577.db2.gz JNWABPXTQZBBAG-UHFFFAOYSA-N 0 0 338.411 2.888 10 10 EFCERN O=S(=O)(CCC1CCC1)NCc1cc(Br)ccc1O ZINC000809845522 1282501591 /nfs/dbraw/zinc/50/15/91/1282501591.db2.gz NUZKZMLKEXTSRY-UHFFFAOYSA-N 0 0 348.262 2.764 10 10 EFCERN COC(C)(C)CS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000809819398 1282515898 /nfs/dbraw/zinc/51/58/98/1282515898.db2.gz SPFOLOXNJHXWAV-UHFFFAOYSA-N 0 0 341.473 2.892 10 10 EFCERN CC[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC ZINC000810955584 1283894223 /nfs/dbraw/zinc/89/42/23/1283894223.db2.gz LQUBCDOXYQHHCY-CQSZACIVSA-N 0 0 330.384 2.845 10 10 EFCERN COc1ccc(N(CC(C)C)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000747684258 1284068373 /nfs/dbraw/zinc/06/83/73/1284068373.db2.gz YIWAYAXEGHJKBJ-IEBWSBKVSA-N 0 0 337.460 2.714 10 10 EFCERN COc1ccc(N(CC(C)C)C[C@H](O)COC[C@H]2CCCO2)cc1 ZINC000747684270 1284068537 /nfs/dbraw/zinc/06/85/37/1284068537.db2.gz YIWAYAXEGHJKBJ-PKOBYXMFSA-N 0 0 337.460 2.714 10 10 EFCERN CCc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001133123663 1284837352 /nfs/dbraw/zinc/83/73/52/1284837352.db2.gz VJHDYJNNNIMCRI-UHFFFAOYSA-N 0 0 337.467 2.931 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000812466032 1285162416 /nfs/dbraw/zinc/16/24/16/1285162416.db2.gz YEVKBQUDXIMSOQ-BQYQJAHWSA-N 0 0 349.431 2.615 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1F ZINC000812488147 1285201310 /nfs/dbraw/zinc/20/13/10/1285201310.db2.gz ROJSVWBHQITDQO-AWEZNQCLSA-N 0 0 347.356 2.535 10 10 EFCERN CO[C@](C)(C(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000812574346 1285233645 /nfs/dbraw/zinc/23/36/45/1285233645.db2.gz NBRDQPMZDRBUQK-AWEZNQCLSA-N 0 0 328.206 2.586 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000812551575 1285241000 /nfs/dbraw/zinc/24/10/00/1285241000.db2.gz YFFZVQLZYROZFE-DOMZBBRYSA-N 0 0 343.393 2.957 10 10 EFCERN Cn1cc(NCc2ccc(N3CCOCC3)c(F)c2)c(C2CC2)n1 ZINC000812777459 1285409447 /nfs/dbraw/zinc/40/94/47/1285409447.db2.gz LNGADSDLXIWGGV-UHFFFAOYSA-N 0 0 330.407 2.885 10 10 EFCERN C[C@H](NC(=O)c1cnnn1-c1cccc(F)c1)c1ccccc1O ZINC001171729447 1285745389 /nfs/dbraw/zinc/74/53/89/1285745389.db2.gz CQCNKABOLNFTTN-NSHDSACASA-N 0 0 326.331 2.603 10 10 EFCERN C[C@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)c1ccccc1O ZINC001171731151 1285747123 /nfs/dbraw/zinc/74/71/23/1285747123.db2.gz ZBGLCELFNZYYBO-NSHDSACASA-N 0 0 343.383 2.629 10 10 EFCERN CC1(C)OCC(C)(C(=O)NCc2c(O)ccc3ccccc32)CO1 ZINC001179033042 1289030005 /nfs/dbraw/zinc/03/00/05/1289030005.db2.gz SMVLPXQBZFQETJ-UHFFFAOYSA-N 0 0 329.396 2.951 10 10 EFCERN COc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c(O)c1 ZINC000813605029 1286020189 /nfs/dbraw/zinc/02/01/89/1286020189.db2.gz HDKBVTBKIXOWAW-UHFFFAOYSA-N 0 0 325.324 2.891 10 10 EFCERN CSC[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000813638912 1286035200 /nfs/dbraw/zinc/03/52/00/1286035200.db2.gz WZAYZYMIRXBHMD-JTQLQIEISA-N 0 0 337.401 2.505 10 10 EFCERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000813691187 1286066862 /nfs/dbraw/zinc/06/68/62/1286066862.db2.gz UWNVLIAPSYOTPZ-OAHLLOKOSA-N 0 0 332.375 2.643 10 10 EFCERN COC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC001134145784 1286376493 /nfs/dbraw/zinc/37/64/93/1286376493.db2.gz PQPURYHOEUAWJR-LFAOLKIESA-N 0 0 340.354 2.612 10 10 EFCERN Cn1cc(CC(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)n1 ZINC000814405447 1286583078 /nfs/dbraw/zinc/58/30/78/1286583078.db2.gz KRLAYKGOUAQNIB-UHFFFAOYSA-N 0 0 332.835 2.533 10 10 EFCERN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2F)C[C@@H](C)O1 ZINC000822729353 1289093908 /nfs/dbraw/zinc/09/39/08/1289093908.db2.gz VVWOBPNQWVZTGC-PBFPGSCMSA-N 0 0 347.434 2.791 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000822831755 1289126769 /nfs/dbraw/zinc/12/67/69/1289126769.db2.gz HLKYGUIANIDDIR-CCNMWVGKSA-N 0 0 328.456 2.532 10 10 EFCERN Cn1cc(CC(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)n1 ZINC000815835899 1287851590 /nfs/dbraw/zinc/85/15/90/1287851590.db2.gz IXGMCUGVROOKAC-UHFFFAOYSA-N 0 0 333.819 2.517 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)NCCOC(C)(C)C)C2)cc1 ZINC000822886403 1289137593 /nfs/dbraw/zinc/13/75/93/1289137593.db2.gz FPPHMAIGDCIERM-HNNXBMFYSA-N 0 0 349.475 2.636 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccnc(OC(F)F)c2)cc1F ZINC000822863105 1289142497 /nfs/dbraw/zinc/14/24/97/1289142497.db2.gz LSIOMCKHVCMABC-UHFFFAOYSA-N 0 0 339.317 2.818 10 10 EFCERN COc1cccc(CNC(=S)Nc2cccc(NC(C)=O)c2)n1 ZINC000748045539 1287982911 /nfs/dbraw/zinc/98/29/11/1287982911.db2.gz KMSUHROQGWYZKI-UHFFFAOYSA-N 0 0 330.413 2.535 10 10 EFCERN COc1ccc(N2CCCN(C(=O)C[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000822919343 1289153899 /nfs/dbraw/zinc/15/38/99/1289153899.db2.gz JCMKOWAWHABXKX-LPHOPBHVSA-N 0 0 346.471 2.939 10 10 EFCERN c1ccc(-n2nnnc2CNCc2ccc(N3CCCCC3)cc2)cc1 ZINC001649145574 1288112897 /nfs/dbraw/zinc/11/28/97/1288112897.db2.gz YUQABMDLYJSIFV-UHFFFAOYSA-N 0 0 348.454 2.942 10 10 EFCERN C[C@@H](CC(=O)NCc1cc(O)ccc1O)C(=O)c1cccc(F)c1 ZINC001176755428 1288120946 /nfs/dbraw/zinc/12/09/46/1288120946.db2.gz PLNWOLPXMGAMJC-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN COC1CCN(c2ccc(CN(C)Cc3ccn(C)n3)cc2)CC1 ZINC001176887492 1288162175 /nfs/dbraw/zinc/16/21/75/1288162175.db2.gz RXHCJBOYDVHTJA-UHFFFAOYSA-N 0 0 328.460 2.667 10 10 EFCERN COc1ccc(O)c(CN[C@H](C)c2ncc(Br)cn2)c1 ZINC000816627022 1288215867 /nfs/dbraw/zinc/21/58/67/1288215867.db2.gz CKQIIEKURVKYHL-SECBINFHSA-N 0 0 338.205 2.804 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]1n1cccn1 ZINC000816673430 1288239004 /nfs/dbraw/zinc/23/90/04/1288239004.db2.gz YTGRAYQVUGAWNJ-IMJJTQAJSA-N 0 0 339.798 2.890 10 10 EFCERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1cccc(Cl)c1 ZINC000816923073 1288315322 /nfs/dbraw/zinc/31/53/22/1288315322.db2.gz WQUADGJUCOKTNA-UHFFFAOYSA-N 0 0 348.830 2.893 10 10 EFCERN C[C@@H](OCCCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001135738893 1288320126 /nfs/dbraw/zinc/32/01/26/1288320126.db2.gz QGWQEGMYVTWNJY-CQSZACIVSA-N 0 0 329.396 2.924 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](C4CCCC4)C3)cc2N1 ZINC000817126162 1288427923 /nfs/dbraw/zinc/42/79/23/1288427923.db2.gz RHIRWLKXGAPUHE-GFCCVEGCSA-N 0 0 331.372 2.942 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000817129322 1288430074 /nfs/dbraw/zinc/43/00/74/1288430074.db2.gz GLBKSWYZQQTRIB-BRLPQQTGSA-N 0 0 348.399 2.770 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817131774 1288432330 /nfs/dbraw/zinc/43/23/30/1288432330.db2.gz OZOQBVQVDIVDPD-YVZNUBBCSA-N 0 0 346.383 2.665 10 10 EFCERN COCCCCS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817151945 1288442785 /nfs/dbraw/zinc/44/27/85/1288442785.db2.gz HYHQYHCGDAGTIT-UHFFFAOYSA-N 0 0 325.430 2.930 10 10 EFCERN CC[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000817162437 1288446341 /nfs/dbraw/zinc/44/63/41/1288446341.db2.gz TZTXWWHWPGWKON-FUHWJXTLSA-N 0 0 329.444 2.820 10 10 EFCERN COc1ccc(CNC(=O)NC[C@@H]2CC23CCSCC3)c(O)c1 ZINC000817170572 1288448192 /nfs/dbraw/zinc/44/81/92/1288448192.db2.gz HATRIWJTDOPHFH-ZDUSSCGKSA-N 0 0 336.457 2.733 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000817409472 1288589831 /nfs/dbraw/zinc/58/98/31/1288589831.db2.gz CMJHPPXFVHHCJR-LBPRGKRZSA-N 0 0 338.429 2.932 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000852379901 1299682477 /nfs/dbraw/zinc/68/24/77/1299682477.db2.gz CZBADYRHAKTWRU-BODMPHMZSA-N 0 0 329.444 2.762 10 10 EFCERN O[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)Cn1cccn1 ZINC000817572056 1288658191 /nfs/dbraw/zinc/65/81/91/1288658191.db2.gz YQVXRFXVRRPHEX-CQSZACIVSA-N 0 0 335.835 2.967 10 10 EFCERN COC(=O)c1ccccc1CCC(=O)NCc1c(O)cccc1F ZINC001178413066 1288780592 /nfs/dbraw/zinc/78/05/92/1288780592.db2.gz MRMMHGXKHZOEMZ-UHFFFAOYSA-N 0 0 331.343 2.567 10 10 EFCERN COC(=O)c1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC001178413467 1288780654 /nfs/dbraw/zinc/78/06/54/1288780654.db2.gz SHJFAUSNOAIXDG-UHFFFAOYSA-N 0 0 331.343 2.567 10 10 EFCERN CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000822083224 1288877627 /nfs/dbraw/zinc/87/76/27/1288877627.db2.gz UMUAOLZLUYMPFG-JVPBZIDWSA-N 0 0 332.444 2.863 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccncc3C)CC2)cc1 ZINC000822197128 1288904773 /nfs/dbraw/zinc/90/47/73/1288904773.db2.gz MBAVVVKOLIMBBF-BAQGIRSFSA-N 0 0 337.423 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)ncc3C)C2)cc1 ZINC000822281750 1288926619 /nfs/dbraw/zinc/92/66/19/1288926619.db2.gz SUENWUXPZBJKDW-OAHLLOKOSA-N 0 0 340.427 2.529 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](c2ncccn2)C1 ZINC001178850183 1288941778 /nfs/dbraw/zinc/94/17/78/1288941778.db2.gz JVNHBVNVEURDKV-JTQLQIEISA-N 0 0 341.392 2.732 10 10 EFCERN CCOc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2O)cc1 ZINC001178905059 1288976220 /nfs/dbraw/zinc/97/62/20/1288976220.db2.gz FFTCDQHEJIDRPM-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CN(C)c1nc2sc(C(=O)NCc3c(O)cccc3O)cc2s1 ZINC001178905086 1288976679 /nfs/dbraw/zinc/97/66/79/1288976679.db2.gz GPCDUHPRYVAIRX-UHFFFAOYSA-N 0 0 349.437 2.765 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cc(F)cc(Br)c1 ZINC001178912353 1288979109 /nfs/dbraw/zinc/97/91/09/1288979109.db2.gz SDYXMXZPWMXCND-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN CCOc1ccc(O)c(CNC(C)(C)c2nocc2C(=O)OC)c1 ZINC000822534800 1289013371 /nfs/dbraw/zinc/01/33/71/1289013371.db2.gz XWSDPIRMZJUFMA-UHFFFAOYSA-N 0 0 334.372 2.590 10 10 EFCERN COC(=O)c1conc1C(C)(C)NCc1ccc(N(C)C)cc1C ZINC000822534613 1289013383 /nfs/dbraw/zinc/01/33/83/1289013383.db2.gz PVSFLFWLUQZBRM-UHFFFAOYSA-N 0 0 331.416 2.861 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(F)nc3F)C2)cc1 ZINC000823542255 1289329468 /nfs/dbraw/zinc/32/94/68/1289329468.db2.gz FKXCFXSHQMRBCV-LLVKDONJSA-N 0 0 348.353 2.769 10 10 EFCERN CCNC(=O)c1ccc(OC(=O)c2sc3ncccc3c2N)cc1 ZINC001136791127 1289483626 /nfs/dbraw/zinc/48/36/26/1289483626.db2.gz NKQKPMGDYAIVNU-UHFFFAOYSA-N 0 0 341.392 2.847 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000824262567 1289592634 /nfs/dbraw/zinc/59/26/34/1289592634.db2.gz YXMQRXFHPHIHHQ-MRXNPFEDSA-N 0 0 338.455 2.821 10 10 EFCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817535009 1289948900 /nfs/dbraw/zinc/94/89/00/1289948900.db2.gz PRLCGUJDRQKMSH-OTWHNJEPSA-N 0 0 342.483 2.948 10 10 EFCERN Oc1ccc(Br)cc1CNCc1cn(C2CCC2)nn1 ZINC000825893366 1290983831 /nfs/dbraw/zinc/98/38/31/1290983831.db2.gz XMLDKZLARUGDCJ-UHFFFAOYSA-N 0 0 337.221 2.761 10 10 EFCERN COc1c([O-])c(C[NH2+]CCC[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000775038553 1290995743 /nfs/dbraw/zinc/99/57/43/1290995743.db2.gz VNOVGNCLRRIHMW-IUODEOHRSA-N 0 0 338.404 2.730 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1OC ZINC000795691402 1291201402 /nfs/dbraw/zinc/20/14/02/1291201402.db2.gz LBMDHVJWKQGUHX-XPTSAGLGSA-N 0 0 335.322 2.561 10 10 EFCERN O=C(COC(=O)c1ccn(C2CCCCC2)n1)c1ccc(O)c(O)c1 ZINC000795743387 1291368948 /nfs/dbraw/zinc/36/89/48/1291368948.db2.gz MUZWBTZBYAUTNO-UHFFFAOYSA-N 0 0 344.367 2.839 10 10 EFCERN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849058 1291554383 /nfs/dbraw/zinc/55/43/83/1291554383.db2.gz DRZWUFXZTDZKPC-WBMJQRKESA-N 0 0 343.383 2.828 10 10 EFCERN C[C@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000775403063 1292258067 /nfs/dbraw/zinc/25/80/67/1292258067.db2.gz FXNODOHIQBIZCH-GJZGRUSLSA-N 0 0 342.439 2.890 10 10 EFCERN CC(C)[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCC(=O)N1 ZINC000826123404 1292271701 /nfs/dbraw/zinc/27/17/01/1292271701.db2.gz MKBRUTTZYUAUPL-ZDUSSCGKSA-N 0 0 341.249 2.644 10 10 EFCERN CC(C)[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCC(=O)N1 ZINC000826123403 1292272108 /nfs/dbraw/zinc/27/21/08/1292272108.db2.gz MKBRUTTZYUAUPL-CYBMUJFWSA-N 0 0 341.249 2.644 10 10 EFCERN CCc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]c(C)c1C(N)=O ZINC000775405782 1292276082 /nfs/dbraw/zinc/27/60/82/1292276082.db2.gz VEEUBBPRIPELGY-LLVKDONJSA-N 0 0 342.443 2.541 10 10 EFCERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880750476 1292621029 /nfs/dbraw/zinc/62/10/29/1292621029.db2.gz LUITUDOIBSEGEJ-LPHOPBHVSA-N 0 0 328.456 2.700 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC001193312114 1293234613 /nfs/dbraw/zinc/23/46/13/1293234613.db2.gz USSLJEDQCPJJOX-QGZVFWFLSA-N 0 0 349.427 2.750 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001193312112 1293234936 /nfs/dbraw/zinc/23/49/36/1293234936.db2.gz USSLJEDQCPJJOX-KRWDZBQOSA-N 0 0 349.427 2.750 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)c3cccn3C)CC2)c1O ZINC000775645105 1293848723 /nfs/dbraw/zinc/84/87/23/1293848723.db2.gz FBZASJUZSFWBGI-UHFFFAOYSA-N 0 0 347.846 2.651 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)/C=C/c2ccccc2F)c1 ZINC000800058065 1293898205 /nfs/dbraw/zinc/89/82/05/1293898205.db2.gz GPQXRGNDUFELFC-CMDGGOBGSA-N 0 0 337.372 2.630 10 10 EFCERN Cc1cc(=O)n(C)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775661724 1293955057 /nfs/dbraw/zinc/95/50/57/1293955057.db2.gz HQPAPPNEBHQWJF-CYBMUJFWSA-N 0 0 328.416 2.642 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C3=NC[C@@H](C)S3)CC2)c1O ZINC000775718798 1294254268 /nfs/dbraw/zinc/25/42/68/1294254268.db2.gz PEYPXVNJQNCNRQ-GFCCVEGCSA-N 0 0 339.892 2.963 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC000775724764 1294287068 /nfs/dbraw/zinc/28/70/68/1294287068.db2.gz QTTNMWQCWAQXOR-UHFFFAOYSA-N 0 0 327.808 2.508 10 10 EFCERN COC(=O)CN(Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000775735731 1294331336 /nfs/dbraw/zinc/33/13/36/1294331336.db2.gz CMDUFVYCNVJSRQ-UHFFFAOYSA-N 0 0 328.206 2.601 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)N[C@H]1Cc2cccc(O)c2C1 ZINC001234146415 1313068186 /nfs/dbraw/zinc/06/81/86/1313068186.db2.gz WZTWVVCBNOPZKT-LBPRGKRZSA-N 0 0 332.787 2.718 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)N[C@@H]1Cc2cccc(O)c2C1 ZINC001234146413 1313068291 /nfs/dbraw/zinc/06/82/91/1313068291.db2.gz WZTWVVCBNOPZKT-GFCCVEGCSA-N 0 0 332.787 2.718 10 10 EFCERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000775739788 1294356949 /nfs/dbraw/zinc/35/69/49/1294356949.db2.gz RWFRAMVNZHZZTG-YUELXQCFSA-N 0 0 329.799 2.953 10 10 EFCERN O=C(COC(=O)C(F)(F)Cc1ccccc1)c1ccc(O)c(O)c1 ZINC000796344143 1294520923 /nfs/dbraw/zinc/52/09/23/1294520923.db2.gz BOPPJBPTKUWYPC-UHFFFAOYSA-N 0 0 336.290 2.702 10 10 EFCERN Cn1cnc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc21 ZINC000096733770 1294553590 /nfs/dbraw/zinc/55/35/90/1294553590.db2.gz ZWFCDJPQKFCIGL-UHFFFAOYSA-N 0 0 336.395 2.662 10 10 EFCERN CCOC(=O)N1CCC(NC(=O)/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000096983224 1294605400 /nfs/dbraw/zinc/60/54/00/1294605400.db2.gz IHWPUZILNJWLQQ-YFHOEESVSA-N 0 0 345.443 2.503 10 10 EFCERN O=C1c2ccccc2C(=O)N1CCN1CCc2cc(Cl)ccc21 ZINC001198489496 1295063722 /nfs/dbraw/zinc/06/37/22/1295063722.db2.gz AXPRDAUHEUKDHJ-UHFFFAOYSA-N 0 0 326.783 2.999 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)n(C)n2)cc1 ZINC000775921253 1295336465 /nfs/dbraw/zinc/33/64/65/1295336465.db2.gz SPMXDWBMKJQQTN-UHFFFAOYSA-N 0 0 331.420 2.597 10 10 EFCERN CC[C@H](O)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826603613 1295684265 /nfs/dbraw/zinc/68/42/65/1295684265.db2.gz JICZWRJMHAPGNB-OCCSQVGLSA-N 0 0 342.386 2.534 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]2CCC[C@H]21 ZINC000929009919 1297152140 /nfs/dbraw/zinc/15/21/40/1297152140.db2.gz ALPFXHLUHBIQOI-LERXQTSPSA-N 0 0 334.803 2.998 10 10 EFCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000929009920 1297152187 /nfs/dbraw/zinc/15/21/87/1297152187.db2.gz ALPFXHLUHBIQOI-LEWSCRJBSA-N 0 0 334.803 2.998 10 10 EFCERN CCSc1c[nH]c(=O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000929405443 1297179499 /nfs/dbraw/zinc/17/94/99/1297179499.db2.gz PIEYNFLBVWQJEF-UHFFFAOYSA-N 0 0 331.441 2.895 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000929405861 1297179990 /nfs/dbraw/zinc/17/99/90/1297179990.db2.gz RXWVVTNPHFOKDO-KGLIPLIRSA-N 0 0 330.350 2.869 10 10 EFCERN Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929969978 1297220178 /nfs/dbraw/zinc/22/01/78/1297220178.db2.gz GOUNILJSRIAUTP-HHXXYDBFSA-N 0 0 329.396 2.791 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000778017322 1297359975 /nfs/dbraw/zinc/35/99/75/1297359975.db2.gz FOPKFBOISZZNMS-YKMGAGOLSA-N 0 0 348.399 2.768 10 10 EFCERN CC(C)COc1cc(NC(=O)N2Cc3cccc(O)c3C2)ncn1 ZINC000932151695 1297403523 /nfs/dbraw/zinc/40/35/23/1297403523.db2.gz FESVZUQNWSIJGR-UHFFFAOYSA-N 0 0 328.372 2.765 10 10 EFCERN COc1ccccc1CONC(=O)NCc1cc(Cl)ccc1O ZINC001235863361 1313411654 /nfs/dbraw/zinc/41/16/54/1313411654.db2.gz YZUMEVDNUPAUBD-UHFFFAOYSA-N 0 0 336.775 2.985 10 10 EFCERN COc1cccc(CNC(=O)c2ncccc2NCC2CCC2)c1O ZINC001545684221 1298167839 /nfs/dbraw/zinc/16/78/39/1298167839.db2.gz ODTQIIDDOASUMO-UHFFFAOYSA-N 0 0 341.411 2.938 10 10 EFCERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779533831 1298327723 /nfs/dbraw/zinc/32/77/23/1298327723.db2.gz BOOJIWGTODCQLK-PORJGFHNSA-N 0 0 339.391 2.962 10 10 EFCERN COc1ccc(N2CCN(C(=O)CC3CCSCC3)CC2)cc1 ZINC000082320341 1298629585 /nfs/dbraw/zinc/62/95/85/1298629585.db2.gz AWQUTIXEOMDBHA-UHFFFAOYSA-N 0 0 334.485 2.877 10 10 EFCERN COc1cc(N(C)CC[C@H]2COC(C)(C)O2)cc(OC)c1OC ZINC000851782577 1299392347 /nfs/dbraw/zinc/39/23/47/1299392347.db2.gz AZNQKCMPNZVPHF-ZDUSSCGKSA-N 0 0 325.405 2.690 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(F)c3)C2)cc1 ZINC000851956158 1299485517 /nfs/dbraw/zinc/48/55/17/1299485517.db2.gz SEDUQFLMALXMMK-INIZCTEOSA-N 0 0 343.402 2.912 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)o3)C2)cc1 ZINC000851958505 1299486414 /nfs/dbraw/zinc/48/64/14/1299486414.db2.gz FOQTWIGYUGRAOT-HNNXBMFYSA-N 0 0 343.427 2.717 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCSC)C2)cc1 ZINC000852121917 1299556628 /nfs/dbraw/zinc/55/66/28/1299556628.db2.gz BDDIZRAOPDLLNA-ZIAGYGMSSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000852211446 1299599270 /nfs/dbraw/zinc/59/92/70/1299599270.db2.gz KZISGOVCLDENLQ-OLZOCXBDSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000852260831 1299620752 /nfs/dbraw/zinc/62/07/52/1299620752.db2.gz CSBRJLDOXWLSCG-LBPRGKRZSA-N 0 0 346.406 2.856 10 10 EFCERN COC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852260870 1299621268 /nfs/dbraw/zinc/62/12/68/1299621268.db2.gz FLOTWKLVDPXIPB-KSSFIOAISA-N 0 0 349.475 2.554 10 10 EFCERN O=C(NCCC1(F)CCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852339023 1299666081 /nfs/dbraw/zinc/66/60/81/1299666081.db2.gz COUDXCYGBSULDK-UHFFFAOYSA-N 0 0 349.450 2.729 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCC3(OC)CCC3)C2)cc1 ZINC000852357135 1299674599 /nfs/dbraw/zinc/67/45/99/1299674599.db2.gz BXDDSCJCHXGLNA-OAHLLOKOSA-N 0 0 347.459 2.532 10 10 EFCERN CC[C@H](C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852364281 1299678660 /nfs/dbraw/zinc/67/86/60/1299678660.db2.gz IYROWXTWLYSXSQ-DAYGRLMNSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@](C)(F)C3)C2)cc1 ZINC000852447507 1299707824 /nfs/dbraw/zinc/70/78/24/1299707824.db2.gz BNZKSDUJBAVMJG-KBXCAEBGSA-N 0 0 335.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@](C)(F)C3)C2)cc1 ZINC000852447509 1299708291 /nfs/dbraw/zinc/70/82/91/1299708291.db2.gz BNZKSDUJBAVMJG-KSSFIOAISA-N 0 0 335.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCCOC(C)(C)C)C2)cc1 ZINC000852450739 1299709460 /nfs/dbraw/zinc/70/94/60/1299709460.db2.gz UEBVCKVBBBEMDN-OAHLLOKOSA-N 0 0 349.475 2.778 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccco3)C2)cc1 ZINC000852450810 1299709505 /nfs/dbraw/zinc/70/95/05/1299709505.db2.gz WRMXFTVFPCYDPL-HNNXBMFYSA-N 0 0 343.427 2.799 10 10 EFCERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCS1 ZINC000852454495 1299710246 /nfs/dbraw/zinc/71/02/46/1299710246.db2.gz PFLCXIUCKUPXNC-WMLDXEAASA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccco3)C2)cc1 ZINC000852455015 1299710937 /nfs/dbraw/zinc/71/09/37/1299710937.db2.gz LEBWZLYVTUEXNP-AWEZNQCLSA-N 0 0 329.400 2.709 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000852454046 1299711156 /nfs/dbraw/zinc/71/11/56/1299711156.db2.gz NGPGIGRXPIOXQE-HZPDHXFCSA-N 0 0 329.444 2.715 10 10 EFCERN COc1ccc(CNC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000852553958 1299754463 /nfs/dbraw/zinc/75/44/63/1299754463.db2.gz XPTVJJFGWJCJRF-CZIWCDLHSA-N 0 0 342.395 2.810 10 10 EFCERN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)O1 ZINC000852582014 1299768985 /nfs/dbraw/zinc/76/89/85/1299768985.db2.gz YFYUCMBWDOLVGN-PBHICJAKSA-N 0 0 331.460 2.826 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000852603087 1299777902 /nfs/dbraw/zinc/77/79/02/1299777902.db2.gz QZJAPZPYSDSDGZ-XLKFXECMSA-N 0 0 335.297 2.886 10 10 EFCERN COc1ccc(N2CCN(C(=O)NC3CC(C)(C)C3)CC2)cc1F ZINC000852699732 1299821986 /nfs/dbraw/zinc/82/19/86/1299821986.db2.gz YXVMYNHNOPITIP-UHFFFAOYSA-N 0 0 335.423 2.855 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000776636970 1299977547 /nfs/dbraw/zinc/97/75/47/1299977547.db2.gz NIUJOUBLXGSKAH-UHFFFAOYSA-N 0 0 343.393 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3cccnc3)C2)cc1 ZINC000853242388 1300062975 /nfs/dbraw/zinc/06/29/75/1300062975.db2.gz YDXISKHKLMORMS-GDBMZVCRSA-N 0 0 340.427 2.729 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000853565864 1300170333 /nfs/dbraw/zinc/17/03/33/1300170333.db2.gz BRJACSDLWPMCMB-WMZOPIPTSA-N 0 0 345.370 2.531 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000853749104 1300257401 /nfs/dbraw/zinc/25/74/01/1300257401.db2.gz MQUGVFAPDALZOX-LJQANCHMSA-N 0 0 331.460 2.508 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc(N)c4ccccc4n3)C2)cc1 ZINC000853758142 1300261037 /nfs/dbraw/zinc/26/10/37/1300261037.db2.gz AJVOMGINFLUCRV-CYBMUJFWSA-N 0 0 335.411 2.911 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000853759285 1300261963 /nfs/dbraw/zinc/26/19/63/1300261963.db2.gz RFMPCMQGURLMOU-HNNXBMFYSA-N 0 0 346.452 2.790 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc(C(N)=O)cc3Cl)C2)cc1 ZINC000853759465 1300262045 /nfs/dbraw/zinc/26/20/45/1300262045.db2.gz UZMYPHWBSWCVLJ-GFCCVEGCSA-N 0 0 346.818 2.533 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])C2)cc1 ZINC000853759051 1300262253 /nfs/dbraw/zinc/26/22/53/1300262253.db2.gz OBQMCDOPOYWULV-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759910 1300262410 /nfs/dbraw/zinc/26/24/10/1300262410.db2.gz DLWPQQFZJTVVDP-ZDUSSCGKSA-N 0 0 345.403 2.819 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)cc1 ZINC000853758825 1300262823 /nfs/dbraw/zinc/26/28/23/1300262823.db2.gz KWWHVPSPMAOADW-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 ZINC000853760912 1300263550 /nfs/dbraw/zinc/26/35/50/1300263550.db2.gz ODBUPIPIOVPOMT-CQSZACIVSA-N 0 0 348.410 2.633 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@](O)(C2CC2)C1 ZINC000853776790 1300272868 /nfs/dbraw/zinc/27/28/68/1300272868.db2.gz WFBDOEZEJZASJQ-FQEVSTJZSA-N 0 0 341.455 2.509 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3ncccc3C)C2)cc1 ZINC000853818331 1300293167 /nfs/dbraw/zinc/29/31/67/1300293167.db2.gz VNWLONJHKFEKGJ-AWEZNQCLSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3nc(C)cs3)C2)cc1 ZINC000853818024 1300293350 /nfs/dbraw/zinc/29/33/50/1300293350.db2.gz QRWCVEPNPFNCOO-LBPRGKRZSA-N 0 0 332.429 2.861 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853832218 1300300732 /nfs/dbraw/zinc/30/07/32/1300300732.db2.gz BBFVZRXVOCEDEC-PYJQOMOHSA-N 0 0 346.383 2.522 10 10 EFCERN C[C@@H]1COC2(CCC2)CN1C(=O)NCCCSc1nccs1 ZINC000853855687 1300310392 /nfs/dbraw/zinc/31/03/92/1300310392.db2.gz DANKLHDJHHQNNZ-GFCCVEGCSA-N 0 0 341.502 2.978 10 10 EFCERN C[C@@H]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)O1 ZINC000853855712 1300310957 /nfs/dbraw/zinc/31/09/57/1300310957.db2.gz DRBILUUKKZCZBR-NEPJUHHUSA-N 0 0 329.491 2.882 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](C4CCC4)C3)cc2N1 ZINC000853941784 1300354061 /nfs/dbraw/zinc/35/40/61/1300354061.db2.gz IMIJZPIQINYZNV-GFCCVEGCSA-N 0 0 331.372 2.942 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000853980227 1300372430 /nfs/dbraw/zinc/37/24/30/1300372430.db2.gz QJVZAPMSZBDOPT-ALCCZGGFSA-N 0 0 348.384 2.577 10 10 EFCERN C[C@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000854002988 1300385391 /nfs/dbraw/zinc/38/53/91/1300385391.db2.gz DWNLIJBDJVGJTI-ZDUSSCGKSA-N 0 0 331.460 2.664 10 10 EFCERN CN(C)c1ccc(CN2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000854117172 1300433660 /nfs/dbraw/zinc/43/36/60/1300433660.db2.gz GZJKOEYSLJCXRX-UHFFFAOYSA-N 0 0 337.471 2.701 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)cc1 ZINC000854198502 1300468450 /nfs/dbraw/zinc/46/84/50/1300468450.db2.gz LBZDGRAJRKKTQV-HNNXBMFYSA-N 0 0 328.412 2.816 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](OC)C3CCCC3)CC2)cc1 ZINC000854198712 1300468582 /nfs/dbraw/zinc/46/85/82/1300468582.db2.gz PWFCMMKRZUVWDZ-GOSISDBHSA-N 0 0 332.444 2.549 10 10 EFCERN CCCCN(CCOC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300800 1300506624 /nfs/dbraw/zinc/50/66/24/1300506624.db2.gz AMNWITGJDOXYCK-MRXNPFEDSA-N 0 0 349.475 2.732 10 10 EFCERN CO[C@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000854442293 1300568763 /nfs/dbraw/zinc/56/87/63/1300568763.db2.gz MQNHYQFEMLZBGU-SKDRFNHKSA-N 0 0 328.206 2.586 10 10 EFCERN Cc1cc(CC(=O)N2CCO[C@@H](CF)C2)c(C)n1-c1ccccc1 ZINC000854930591 1300738908 /nfs/dbraw/zinc/73/89/08/1300738908.db2.gz FVEMGYBKTVYXGX-SFHVURJKSA-N 0 0 330.403 2.834 10 10 EFCERN CON1CCC(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000854968073 1300750714 /nfs/dbraw/zinc/75/07/14/1300750714.db2.gz ARVPJRSZDJZNMN-UHFFFAOYSA-N 0 0 341.455 2.779 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](OC)C3CCCC3)C2)cc1 ZINC000854981239 1300755008 /nfs/dbraw/zinc/75/50/08/1300755008.db2.gz MGPYKCJFSKVCLM-KXBFYZLASA-N 0 0 346.471 2.843 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2onc3c2CCCC3)cc1 ZINC000855019955 1300766354 /nfs/dbraw/zinc/76/63/54/1300766354.db2.gz CFOZVXBXGOIXBZ-UHFFFAOYSA-N 0 0 343.427 2.770 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)n2ccc(C)n2)cc1 ZINC000855020888 1300766579 /nfs/dbraw/zinc/76/65/79/1300766579.db2.gz WYCUNASRBRIXBZ-MRXNPFEDSA-N 0 0 344.459 2.746 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C/c3ccccn3)C2)cc1 ZINC000855223307 1300844554 /nfs/dbraw/zinc/84/45/54/1300844554.db2.gz GLPXIMNCMVCFBK-VOGRQWBCSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)CCCc3cccnc3)C2)cc1 ZINC000855222944 1300845122 /nfs/dbraw/zinc/84/51/22/1300845122.db2.gz DNQOESDQJMKGLX-QGZVFWFLSA-N 0 0 339.439 2.808 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)cc1 ZINC000855223642 1300845225 /nfs/dbraw/zinc/84/52/25/1300845225.db2.gz BXFRZDBTWMSQIY-APWZRJJASA-N 0 0 342.414 2.971 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(SC)n3)C2)cc1 ZINC000855222921 1300845335 /nfs/dbraw/zinc/84/53/35/1300845335.db2.gz DAIJZCQNVPLMSQ-CYBMUJFWSA-N 0 0 343.452 2.821 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(F)(F)F)C2)cc1 ZINC000855222798 1300845545 /nfs/dbraw/zinc/84/55/45/1300845545.db2.gz AMOWUYOSYVFIHK-VXGBXAGGSA-N 0 0 330.350 2.979 10 10 EFCERN CCCc1[nH]ccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223353 1300845559 /nfs/dbraw/zinc/84/55/59/1300845559.db2.gz GQQYKCWRMWJMFD-AWEZNQCLSA-N 0 0 327.428 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc4c([nH]3)CCCC4)C2)cc1 ZINC000855222844 1300845687 /nfs/dbraw/zinc/84/56/87/1300845687.db2.gz BFUGTCCCBDHJKY-HNNXBMFYSA-N 0 0 339.439 2.911 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)c3ccccn3)C2)cc1 ZINC000855222985 1300845748 /nfs/dbraw/zinc/84/57/48/1300845748.db2.gz AITVWGQVTYPMQB-HNNXBMFYSA-N 0 0 339.439 2.763 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3cccc(O)c3)C2)cc1 ZINC000855224986 1300846325 /nfs/dbraw/zinc/84/63/25/1300846325.db2.gz HFKIEISAMJABTA-MGDKSHQASA-N 0 0 338.407 2.809 10 10 EFCERN COc1ccc(CNS(=O)(=O)c2c(F)cccc2Cl)c(O)c1 ZINC000795358645 1300846936 /nfs/dbraw/zinc/84/69/36/1300846936.db2.gz QOOAZLMVRPUNOY-UHFFFAOYSA-N 0 0 345.779 2.672 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](OC)C3CCCCC3)C2)cc1 ZINC000855224422 1300847792 /nfs/dbraw/zinc/84/77/92/1300847792.db2.gz FYAWHPMQKVIYTI-VQIMIIECSA-N 0 0 346.471 2.985 10 10 EFCERN CCc1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000855226814 1300849208 /nfs/dbraw/zinc/84/92/08/1300849208.db2.gz ULUZERLGXMGSHY-OAHLLOKOSA-N 0 0 325.412 2.661 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ncccc3Cl)C2)cc1 ZINC000855226974 1300849256 /nfs/dbraw/zinc/84/92/56/1300849256.db2.gz RSGMSPQUMQXBLU-GFCCVEGCSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(CNS(=O)(=O)c2cc(C)sc2C)c(O)c1 ZINC000795363447 1300849986 /nfs/dbraw/zinc/84/99/86/1300849986.db2.gz YMUQIMLVYKHTOR-UHFFFAOYSA-N 0 0 327.427 2.558 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000855230141 1300850080 /nfs/dbraw/zinc/85/00/80/1300850080.db2.gz TWNOAHPGOVFVFH-CYBMUJFWSA-N 0 0 341.367 2.612 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCC[C@@H](C)C3)C2)cc1 ZINC000855229581 1300850908 /nfs/dbraw/zinc/85/09/08/1300850908.db2.gz BABIYETXTJGESY-JTDSTZFVSA-N 0 0 346.471 2.985 10 10 EFCERN COc1csc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855229840 1300851053 /nfs/dbraw/zinc/85/10/53/1300851053.db2.gz BZKOKGKFFCSMJV-LBPRGKRZSA-N 0 0 332.425 2.774 10 10 EFCERN COCc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230864 1300851106 /nfs/dbraw/zinc/85/11/06/1300851106.db2.gz FUYPBLFDULEGHT-MRXNPFEDSA-N 0 0 340.423 2.850 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000855232172 1300852176 /nfs/dbraw/zinc/85/21/76/1300852176.db2.gz OTKFLVSVIHVNNY-GXFFZTMASA-N 0 0 329.227 2.584 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(Cl)n3)C2)cc1 ZINC000855231003 1300852625 /nfs/dbraw/zinc/85/26/25/1300852625.db2.gz RREBQWKDYMZCGB-LBPRGKRZSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COc4ccccc43)C2)cc1 ZINC000855231972 1300852666 /nfs/dbraw/zinc/85/26/66/1300852666.db2.gz PELCMZLDLUHILY-RDTXWAMCSA-N 0 0 338.407 2.566 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000855231302 1300852959 /nfs/dbraw/zinc/85/29/59/1300852959.db2.gz JTNLXSPJFOASPL-ZDUSSCGKSA-N 0 0 328.416 2.550 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccc(C)o3)C2)cc1 ZINC000855232629 1300853569 /nfs/dbraw/zinc/85/35/69/1300853569.db2.gz VWLJDHBSCAQXTF-HNNXBMFYSA-N 0 0 328.412 2.924 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)cc3F)C2)cc1 ZINC000855234841 1300853835 /nfs/dbraw/zinc/85/38/35/1300853835.db2.gz OBFKCXGPEMAFLH-CYBMUJFWSA-N 0 0 332.350 2.982 10 10 EFCERN C[C@@H](NCc1cc(Cl)n(C)n1)c1ccc(N2CCOCC2)cc1 ZINC000859229902 1301404627 /nfs/dbraw/zinc/40/46/27/1301404627.db2.gz PROUETNLTLMLCD-CYBMUJFWSA-N 0 0 334.851 2.761 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@]1(C)Br ZINC000859420895 1301458476 /nfs/dbraw/zinc/45/84/76/1301458476.db2.gz CSRGFWUOQFUUCL-UKRRQHHQSA-N 0 0 325.250 2.851 10 10 EFCERN COC(=O)c1oc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC000859421069 1301459014 /nfs/dbraw/zinc/45/90/14/1301459014.db2.gz KCXFWGFUTIWBNZ-UHFFFAOYSA-N 0 0 330.384 2.679 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000859728209 1301555094 /nfs/dbraw/zinc/55/50/94/1301555094.db2.gz WCLOEHYLSTVWOG-UHFFFAOYSA-N 0 0 334.807 2.731 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnc(OC)c(OC)c2)c1 ZINC000861417492 1302128641 /nfs/dbraw/zinc/12/86/41/1302128641.db2.gz ZXYFGMIHHLWYOW-SNVBAGLBSA-N 0 0 347.371 2.696 10 10 EFCERN COCc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1OC ZINC000861632148 1302176898 /nfs/dbraw/zinc/17/68/98/1302176898.db2.gz OMRKSNNMDUXFEW-UHFFFAOYSA-N 0 0 346.383 2.878 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(CCO)CC1CC1 ZINC000861663017 1302187152 /nfs/dbraw/zinc/18/71/52/1302187152.db2.gz NUHIMFFKBJTZLZ-UHFFFAOYSA-N 0 0 340.423 2.751 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCn2ccnc21 ZINC000861854702 1302221686 /nfs/dbraw/zinc/22/16/86/1302221686.db2.gz QDZSJGOKIRXROZ-KRWDZBQOSA-N 0 0 348.406 2.978 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1=CCOCC1 ZINC000861864775 1302225082 /nfs/dbraw/zinc/22/50/82/1302225082.db2.gz RSVGGQJTGTUWDL-UHFFFAOYSA-N 0 0 338.407 2.983 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C2)cc1 ZINC000862159727 1302301698 /nfs/dbraw/zinc/30/16/98/1302301698.db2.gz WBYSEGFANLTDBH-NWDGAFQWSA-N 0 0 330.350 2.979 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC3(COC3)C2)c1 ZINC000862224902 1302312682 /nfs/dbraw/zinc/31/26/82/1302312682.db2.gz XQATVHSBOIPZNU-UHFFFAOYSA-N 0 0 338.407 2.769 10 10 EFCERN CCn1ncc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000862387230 1302359472 /nfs/dbraw/zinc/35/94/72/1302359472.db2.gz IHGKFOFTKAOTHB-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862387157 1302360303 /nfs/dbraw/zinc/36/03/03/1302360303.db2.gz IBITUBPARQBMHR-XPTSAGLGSA-N 0 0 338.320 2.776 10 10 EFCERN CN(C)c1cc(F)c(CN2CC(CO)(c3ccccc3)C2)cc1F ZINC000862394353 1302365117 /nfs/dbraw/zinc/36/51/17/1302365117.db2.gz HJJSMNWEOHQOTO-UHFFFAOYSA-N 0 0 332.394 2.777 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cccc(C)c1O ZINC000862473845 1302391253 /nfs/dbraw/zinc/39/12/53/1302391253.db2.gz BBPGZYPQEZYAHY-QGZVFWFLSA-N 0 0 329.396 2.583 10 10 EFCERN COC(=O)c1ccc(F)c2c1CN(Cc1c(O)cccc1OC)CC2 ZINC000862469001 1302392224 /nfs/dbraw/zinc/39/22/24/1302392224.db2.gz VVCXYYAARKUGIP-UHFFFAOYSA-N 0 0 345.370 2.885 10 10 EFCERN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1ccc(OC)c(C)c1 ZINC000862474974 1302393736 /nfs/dbraw/zinc/39/37/36/1302393736.db2.gz UXUCGCUVFUNDIE-SFHVURJKSA-N 0 0 343.423 2.886 10 10 EFCERN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(C)c(C)cc1O ZINC000862475106 1302393943 /nfs/dbraw/zinc/39/39/43/1302393943.db2.gz ZAVBJBNAMNSMGM-GOSISDBHSA-N 0 0 343.423 2.892 10 10 EFCERN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000862486294 1302398835 /nfs/dbraw/zinc/39/88/35/1302398835.db2.gz CKXSXLWXLHHLBI-GFCCVEGCSA-N 0 0 340.217 2.896 10 10 EFCERN CCN(CC)c1ccc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)OC)cc1 ZINC000862516518 1302403649 /nfs/dbraw/zinc/40/36/49/1302403649.db2.gz SXIFNEUTQCQVJC-HKUYNNGSSA-N 0 0 348.487 2.981 10 10 EFCERN Cc1cc(O)c(CNC(c2ccnn2C)c2ccnn2C)cc1Cl ZINC000862541201 1302411098 /nfs/dbraw/zinc/41/10/98/1302411098.db2.gz QMLUTCIJDLRARO-UHFFFAOYSA-N 0 0 345.834 2.700 10 10 EFCERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1cc(C)ccc1O ZINC000862755242 1302449197 /nfs/dbraw/zinc/44/91/97/1302449197.db2.gz PQHOZZVBNQTFKZ-UHFFFAOYSA-N 0 0 327.428 2.783 10 10 EFCERN COc1cc(CCC(=O)NCc2cc(C)ccc2O)cc(OC)c1O ZINC000862754473 1302449551 /nfs/dbraw/zinc/44/95/51/1302449551.db2.gz YWSPKXNMMUPVIG-UHFFFAOYSA-N 0 0 345.395 2.672 10 10 EFCERN Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1cc(C)ccc1O ZINC000862753499 1302450302 /nfs/dbraw/zinc/45/03/02/1302450302.db2.gz DSALHDMDENVRJK-UHFFFAOYSA-N 0 0 343.427 2.795 10 10 EFCERN COc1c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cnn1C ZINC000863163715 1302544459 /nfs/dbraw/zinc/54/44/59/1302544459.db2.gz MXSQKLYXESENPA-UHFFFAOYSA-N 0 0 338.411 2.766 10 10 EFCERN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322335 1302587520 /nfs/dbraw/zinc/58/75/20/1302587520.db2.gz SKBBLLIDTPGBHY-TXEJJXNPSA-N 0 0 328.412 2.713 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000863766170 1302711635 /nfs/dbraw/zinc/71/16/35/1302711635.db2.gz SCSBILHXWYYGGP-CRAIPNDOSA-N 0 0 338.407 2.648 10 10 EFCERN CCc1nocc1/C=C1\SC(=S)N(Cc2cc(C)on2)C1=O ZINC000864357396 1302899915 /nfs/dbraw/zinc/89/99/15/1302899915.db2.gz XXPSSVSRWBIHCS-XGICHPGQSA-N 0 0 335.410 2.935 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3coc(SC)c3)CC2)cc1 ZINC000864470251 1302943161 /nfs/dbraw/zinc/94/31/61/1302943161.db2.gz GSEHUECBIKOWJI-UHFFFAOYSA-N 0 0 332.425 2.973 10 10 EFCERN CCO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000864632603 1303006543 /nfs/dbraw/zinc/00/65/43/1303006543.db2.gz LBBLXPRMNXVGDX-SFHVURJKSA-N 0 0 334.460 2.543 10 10 EFCERN C[C@H]1CCn2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)nc2C1 ZINC000864634975 1303008007 /nfs/dbraw/zinc/00/80/07/1303008007.db2.gz VJVULHMMPWUXMR-AWEZNQCLSA-N 0 0 326.444 2.804 10 10 EFCERN CNc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000120163592 1303023360 /nfs/dbraw/zinc/02/33/60/1303023360.db2.gz SGHGPBJNUMTCGC-LBPRGKRZSA-N 0 0 346.456 2.512 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000864931726 1303087207 /nfs/dbraw/zinc/08/72/07/1303087207.db2.gz NRHNNVMAQAMVNF-DNVCBOLYSA-N 0 0 332.419 2.859 10 10 EFCERN O=C(NCc1ccncc1)NCc1cc(Br)ccc1O ZINC000794805104 1303091529 /nfs/dbraw/zinc/09/15/29/1303091529.db2.gz RQXPVWCREKDUGP-UHFFFAOYSA-N 0 0 336.189 2.549 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCCO1 ZINC000864984079 1303110434 /nfs/dbraw/zinc/11/04/34/1303110434.db2.gz FNRRZVLQIAFRLP-GOSISDBHSA-N 0 0 346.471 2.735 10 10 EFCERN CCO[C@H]1COCC[C@H]1CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027136 1303127031 /nfs/dbraw/zinc/12/70/31/1303127031.db2.gz IEOYELKSIRSGOH-HKUYNNGSSA-N 0 0 348.487 2.933 10 10 EFCERN CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000865053269 1303139278 /nfs/dbraw/zinc/13/92/78/1303139278.db2.gz IWOXRHACEXDFSI-IEBWSBKVSA-N 0 0 346.471 2.517 10 10 EFCERN CCOc1cc(F)cc(/C=C2/SC(N3CCOCC3)=NC2=O)c1 ZINC000865216571 1303190352 /nfs/dbraw/zinc/19/03/52/1303190352.db2.gz HDPKOXNPQKMRQI-NTEUORMPSA-N 0 0 336.388 2.527 10 10 EFCERN COc1ccc(CCNC(=S)N2Cc3cccc(O)c3C2)cc1 ZINC000865258662 1303202357 /nfs/dbraw/zinc/20/23/57/1303202357.db2.gz JVKQGCFLROEHJM-UHFFFAOYSA-N 0 0 328.437 2.834 10 10 EFCERN CC(C)(CN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(F)F ZINC000865328587 1303218931 /nfs/dbraw/zinc/21/89/31/1303218931.db2.gz LGFQIRNHXJCMHS-UHFFFAOYSA-N 0 0 326.343 2.838 10 10 EFCERN CC(=O)c1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000865452876 1303264029 /nfs/dbraw/zinc/26/40/29/1303264029.db2.gz RBKPJCNSZRRREC-UHFFFAOYSA-N 0 0 343.402 2.997 10 10 EFCERN CCOC(=O)CCc1cc(NCc2cc(OC)ccc2O)nc(C)n1 ZINC000865539327 1303302481 /nfs/dbraw/zinc/30/24/81/1303302481.db2.gz QGKRUMFRFHIROY-UHFFFAOYSA-N 0 0 345.399 2.607 10 10 EFCERN CON1CCC(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000865603644 1303328468 /nfs/dbraw/zinc/32/84/68/1303328468.db2.gz KBVHUVQYDRYBIH-UHFFFAOYSA-N 0 0 345.487 2.813 10 10 EFCERN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796491595 1303531485 /nfs/dbraw/zinc/53/14/85/1303531485.db2.gz QDZGZFXVHRKSGE-MRVPVSSYSA-N 0 0 338.256 2.754 10 10 EFCERN COc1nc(N2Cc3cccc(O)c3C2)nc2c1cnn2C(C)(C)C ZINC000866117817 1303533281 /nfs/dbraw/zinc/53/32/81/1303533281.db2.gz RONQJZIKGISNDK-UHFFFAOYSA-N 0 0 339.399 2.816 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000866129028 1303537243 /nfs/dbraw/zinc/53/72/43/1303537243.db2.gz BWPUHTVYARGWDN-WMZOPIPTSA-N 0 0 331.460 2.757 10 10 EFCERN CN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000866278304 1303588775 /nfs/dbraw/zinc/58/87/75/1303588775.db2.gz PBWAZIMZTNJGNX-GWJCSSMESA-N 0 0 334.420 2.576 10 10 EFCERN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866442483 1303641801 /nfs/dbraw/zinc/64/18/01/1303641801.db2.gz MWTLDOASQRAKMJ-LDWIPMOCSA-N 0 0 342.155 2.961 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)CCOC(C)(C)C)cc1 ZINC000866538892 1303678018 /nfs/dbraw/zinc/67/80/18/1303678018.db2.gz WWLZLINBKMUNTD-UHFFFAOYSA-N 0 0 342.505 2.767 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)/C=C\COC1CCOCC1 ZINC000866598479 1303704904 /nfs/dbraw/zinc/70/49/04/1303704904.db2.gz FDODLNPHANRVNP-YVMONPNESA-N 0 0 333.428 2.883 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000866757089 1303781164 /nfs/dbraw/zinc/78/11/64/1303781164.db2.gz IZYYUUMXUIJQRW-YIONKMFJSA-N 0 0 331.412 2.542 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)CCc2nnc(C(F)F)o2)c1 ZINC000866763842 1303783149 /nfs/dbraw/zinc/78/31/49/1303783149.db2.gz IEHILQLBYAQELT-QMMMGPOBSA-N 0 0 341.314 2.531 10 10 EFCERN C[C@H](NC(=O)c1[nH]ncc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867503641 1303836980 /nfs/dbraw/zinc/83/69/80/1303836980.db2.gz OFCFXUMSKWZZIF-VIFPVBQESA-N 0 0 326.322 2.986 10 10 EFCERN C[C@H](NC(=O)/C=C\COC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000867502927 1303837144 /nfs/dbraw/zinc/83/71/44/1303837144.db2.gz FMDGKWGIFUWTMQ-XVWMLYKFSA-N 0 0 332.444 2.682 10 10 EFCERN O=S(=O)(CCCOCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000867691047 1303911396 /nfs/dbraw/zinc/91/13/96/1303911396.db2.gz QDRKESYQMBRXKA-UHFFFAOYSA-N 0 0 347.436 2.645 10 10 EFCERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1N(C)C ZINC000867834977 1303977872 /nfs/dbraw/zinc/97/78/72/1303977872.db2.gz YBEWYEIXHVMFHE-ZDUSSCGKSA-N 0 0 334.441 2.806 10 10 EFCERN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)c1F ZINC000867833827 1303978267 /nfs/dbraw/zinc/97/82/67/1303978267.db2.gz BQNYTSKMOUTYLW-NSHDSACASA-N 0 0 339.388 2.888 10 10 EFCERN COc1ccc(CNC(=O)Cc2c(C)cc(N(C)C)cc2C)c(O)c1 ZINC000867956054 1304042817 /nfs/dbraw/zinc/04/28/17/1304042817.db2.gz LEDRBYVSKPZXQQ-UHFFFAOYSA-N 0 0 342.439 2.943 10 10 EFCERN C[C@H](NC(=O)NC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000868056157 1304099296 /nfs/dbraw/zinc/09/92/96/1304099296.db2.gz QVTALJYJABEUAS-ZDUSSCGKSA-N 0 0 347.459 2.790 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC000868113348 1304133343 /nfs/dbraw/zinc/13/33/43/1304133343.db2.gz XZHDVLLEMFWQSF-AWEZNQCLSA-N 0 0 327.432 2.581 10 10 EFCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C(=O)N1CCCC[C@H]1C ZINC000868195547 1304183120 /nfs/dbraw/zinc/18/31/20/1304183120.db2.gz UFJRYJRSIOIKHW-HZSPNIEDSA-N 0 0 333.432 2.542 10 10 EFCERN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O ZINC000868408374 1304281914 /nfs/dbraw/zinc/28/19/14/1304281914.db2.gz PYDMIWOXNPKGEX-DZGCQCFKSA-N 0 0 345.443 2.544 10 10 EFCERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868475764 1304313362 /nfs/dbraw/zinc/31/33/62/1304313362.db2.gz BCTRNOKMLVOEKR-LBPRGKRZSA-N 0 0 330.432 2.736 10 10 EFCERN C[C@H](NC(=O)NC[C@@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000868476938 1304313809 /nfs/dbraw/zinc/31/38/09/1304313809.db2.gz GAOXNQJMRJWGHE-UONOGXRCSA-N 0 0 334.416 2.828 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)c1ccnn1C ZINC000868711207 1304435516 /nfs/dbraw/zinc/43/55/16/1304435516.db2.gz QAEMPTDUCQPOHP-LSDHHAIUSA-N 0 0 343.475 2.786 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)cc1 ZINC000868762289 1304460312 /nfs/dbraw/zinc/46/03/12/1304460312.db2.gz NEIZUBMCFLEHGI-IXDOHACOSA-N 0 0 341.455 2.882 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC12CC2 ZINC000868844786 1304502440 /nfs/dbraw/zinc/50/24/40/1304502440.db2.gz UEYMSIBPCIPVRZ-GOSISDBHSA-N 0 0 343.471 2.997 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)c3ccncc3)C2)cc1 ZINC000868955501 1304547431 /nfs/dbraw/zinc/54/74/31/1304547431.db2.gz LFCGJVVPVDFTBS-JKSUJKDBSA-N 0 0 339.439 2.836 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000868966267 1304552041 /nfs/dbraw/zinc/55/20/41/1304552041.db2.gz MMXQSDDEQZODHV-SLBVQIDZSA-N 0 0 331.412 2.576 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cncc(OC)c2C)cc1 ZINC000869142794 1304631097 /nfs/dbraw/zinc/63/10/97/1304631097.db2.gz OIJVKLIPRKWAIN-UHFFFAOYSA-N 0 0 343.427 2.616 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C2CC3(CSC3)C2)cc1 ZINC000869142874 1304631241 /nfs/dbraw/zinc/63/12/41/1304631241.db2.gz QZCYWNVQSZITNM-UHFFFAOYSA-N 0 0 334.485 2.733 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(C=O)c3)C2)cc1 ZINC000869228950 1304670897 /nfs/dbraw/zinc/67/08/97/1304670897.db2.gz QCEFTXAOGWUUDF-OAHLLOKOSA-N 0 0 342.370 2.656 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000869885724 1305022119 /nfs/dbraw/zinc/02/21/19/1305022119.db2.gz BKIBDQIUJNYINB-XFKAJCMBSA-N 0 0 344.455 2.546 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@]34C[C@H]3CCCC4)CC2)c(OC)c1 ZINC000870166768 1305186138 /nfs/dbraw/zinc/18/61/38/1305186138.db2.gz UMTJBICTPGKKSH-FOIQADDNSA-N 0 0 344.455 2.933 10 10 EFCERN C=C/C(C)=C/CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870168016 1305186650 /nfs/dbraw/zinc/18/66/50/1305186650.db2.gz VBLJQUZVKWAENV-GIDUJCDVSA-N 0 0 330.428 2.875 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC(Oc2ccccc2F)CC1 ZINC000870245232 1305222593 /nfs/dbraw/zinc/22/25/93/1305222593.db2.gz MOBDGDSHBLMSGA-UHFFFAOYSA-N 0 0 331.343 2.921 10 10 EFCERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198666 1305885306 /nfs/dbraw/zinc/88/53/06/1305885306.db2.gz KINWRNNFBTZQOX-INIZCTEOSA-N 0 0 344.436 2.751 10 10 EFCERN CCOC(=O)c1[nH]c(C)c(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871199570 1305886309 /nfs/dbraw/zinc/88/63/09/1305886309.db2.gz RFKGVBZCVLXHIV-UHFFFAOYSA-N 0 0 328.368 2.670 10 10 EFCERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1Cc2cccc(O)c2C1 ZINC000871199159 1305886742 /nfs/dbraw/zinc/88/67/42/1305886742.db2.gz TXAHKUYLZOFLSO-AWEZNQCLSA-N 0 0 336.391 2.826 10 10 EFCERN CC(C)(C)n1ccnc1SCC(=O)N1Cc2cccc(O)c2C1 ZINC000871201363 1305887582 /nfs/dbraw/zinc/88/75/82/1305887582.db2.gz UBKXHEBJRTWPRW-UHFFFAOYSA-N 0 0 331.441 2.978 10 10 EFCERN Cc1nc2ccnn2c(C)c1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871201653 1305887662 /nfs/dbraw/zinc/88/76/62/1305887662.db2.gz XUWGDIIXYWIEKP-UHFFFAOYSA-N 0 0 336.395 2.527 10 10 EFCERN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)NC(=O)C1CCCCC1 ZINC000871200903 1305888119 /nfs/dbraw/zinc/88/81/19/1305888119.db2.gz MGZKIKLXVQQXOV-ZDUSSCGKSA-N 0 0 330.428 2.710 10 10 EFCERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC000871201600 1305888334 /nfs/dbraw/zinc/88/83/34/1305888334.db2.gz XJLRKXFKTSRSCQ-LBPRGKRZSA-N 0 0 328.334 2.509 10 10 EFCERN Cc1c(CC(=O)N2Cc3cccc(O)c3C2)nnn1-c1ccc(C)cc1 ZINC000871201639 1305888371 /nfs/dbraw/zinc/88/83/71/1305888371.db2.gz XOGPNEHSYBLHSS-UHFFFAOYSA-N 0 0 348.406 2.675 10 10 EFCERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000871203634 1305888790 /nfs/dbraw/zinc/88/87/90/1305888790.db2.gz DINXPNUXJQPZGI-LBPRGKRZSA-N 0 0 346.427 2.737 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203817 1305888993 /nfs/dbraw/zinc/88/89/93/1305888993.db2.gz RQBSRPWIDGPLTF-IBGZPJMESA-N 0 0 346.427 2.882 10 10 EFCERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1N1CCOCC1 ZINC000871204044 1305889126 /nfs/dbraw/zinc/88/91/26/1305889126.db2.gz BAFDBVARFWTITI-UHFFFAOYSA-N 0 0 338.407 2.693 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203768 1305889194 /nfs/dbraw/zinc/88/91/94/1305889194.db2.gz GKLPXWSFLQJXHH-CYBMUJFWSA-N 0 0 346.427 2.882 10 10 EFCERN O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1Cc2cccc(O)c2C1 ZINC000871204182 1305889401 /nfs/dbraw/zinc/88/94/01/1305889401.db2.gz AGRATWDKEKWQCT-PREGVCBESA-N 0 0 345.439 2.989 10 10 EFCERN CC(C)C[C@@H](C(=O)N1Cc2cccc(O)c2C1)N1CCCCC1=O ZINC000871204367 1305889459 /nfs/dbraw/zinc/88/94/59/1305889459.db2.gz ZDVLIUSGNPKTGJ-INIZCTEOSA-N 0 0 330.428 2.662 10 10 EFCERN CC(C)C[C@H](C(=O)N1Cc2cccc(O)c2C1)N1CCCCC1=O ZINC000871204368 1305889492 /nfs/dbraw/zinc/88/94/92/1305889492.db2.gz ZDVLIUSGNPKTGJ-MRXNPFEDSA-N 0 0 330.428 2.662 10 10 EFCERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202561 1305889781 /nfs/dbraw/zinc/88/97/81/1305889781.db2.gz ARTRXQQWUAJUOZ-UHFFFAOYSA-N 0 0 345.420 2.514 10 10 EFCERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202867 1305889829 /nfs/dbraw/zinc/88/98/29/1305889829.db2.gz HNOQTAZDIKOOJM-LBPRGKRZSA-N 0 0 334.416 2.737 10 10 EFCERN CC(C)(NC(=O)Nc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203296 1305889840 /nfs/dbraw/zinc/88/98/40/1305889840.db2.gz WWNFVCGPKODWDE-UHFFFAOYSA-N 0 0 339.395 2.835 10 10 EFCERN O=C(Cc1ccccc1O[C@@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC000871206104 1305890737 /nfs/dbraw/zinc/89/07/37/1305890737.db2.gz ROIWQUXIHMOVJL-MRXNPFEDSA-N 0 0 339.391 2.645 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871206224 1305890961 /nfs/dbraw/zinc/89/09/61/1305890961.db2.gz WUQPZZZOBAQRNP-DZGCQCFKSA-N 0 0 346.427 2.928 10 10 EFCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)n1ccc(C(F)(F)F)n1 ZINC000871207708 1305891866 /nfs/dbraw/zinc/89/18/66/1305891866.db2.gz RCKSZVHXNUZAMC-VIFPVBQESA-N 0 0 325.290 2.711 10 10 EFCERN Cc1nc([C@H]2CCOC2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871207487 1305891919 /nfs/dbraw/zinc/89/19/19/1305891919.db2.gz OXODPUDJHHJINT-LBPRGKRZSA-N 0 0 330.409 2.817 10 10 EFCERN Cc1nc([C@@H]2CCOC2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871207486 1305892830 /nfs/dbraw/zinc/89/28/30/1305892830.db2.gz OXODPUDJHHJINT-GFCCVEGCSA-N 0 0 330.409 2.817 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC(C3CCOCC3)C2)c1[O-] ZINC000800529807 1308059137 /nfs/dbraw/zinc/05/91/37/1308059137.db2.gz GAVVENGONAMYMR-UHFFFAOYSA-N 0 0 326.780 2.812 10 10 EFCERN CC[C@](C)(CC(=O)OC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900949681 1309011825 /nfs/dbraw/zinc/01/18/25/1309011825.db2.gz QBGYZAVYXBLGQQ-MRXNPFEDSA-N 0 0 337.397 2.774 10 10 EFCERN COC(=O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000901073915 1309367532 /nfs/dbraw/zinc/36/75/32/1309367532.db2.gz BZTRQDCQTJOZTG-UHFFFAOYSA-N 0 0 349.408 2.870 10 10 EFCERN CCC/C=C/[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901173653 1309695952 /nfs/dbraw/zinc/69/59/52/1309695952.db2.gz ACWCSGMUEFVCIK-FTZDVORRSA-N 0 0 333.428 2.617 10 10 EFCERN O=c1[nH]c2ccc(C=C3SC(N4CCCCC4)=NC3=O)cc2[nH]1 ZINC000901435682 1310476593 /nfs/dbraw/zinc/47/65/93/1310476593.db2.gz FDNONZDVMSLMOK-UKTHLTGXSA-N 0 0 328.397 2.725 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000801550980 1310507835 /nfs/dbraw/zinc/50/78/35/1310507835.db2.gz GCVNFMCTJKOCAI-UHFFFAOYSA-N 0 0 346.387 2.959 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000801679481 1310713850 /nfs/dbraw/zinc/71/38/50/1310713850.db2.gz FHFHRJZJDVWSKE-TZNOJPMFSA-N 0 0 342.298 2.599 10 10 EFCERN CCOc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC000901662138 1310841514 /nfs/dbraw/zinc/84/15/14/1310841514.db2.gz VRKFMFCUUNRFMT-CYBMUJFWSA-N 0 0 343.445 2.880 10 10 EFCERN C[C@@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000801747111 1310847737 /nfs/dbraw/zinc/84/77/37/1310847737.db2.gz KMWRVPRWSBWVHE-CZUORRHYSA-N 0 0 349.500 2.777 10 10 EFCERN CC1(C)CCC[C@@H](CS(=O)(=O)Nc2ccc(O)c(F)c2F)O1 ZINC000901679925 1310877944 /nfs/dbraw/zinc/87/79/44/1310877944.db2.gz FFLDODNDYCKYPI-VIFPVBQESA-N 0 0 335.372 2.760 10 10 EFCERN CCNC(=O)C1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000749252296 1311024711 /nfs/dbraw/zinc/02/47/11/1311024711.db2.gz PAEPCRIHOZPNSK-UHFFFAOYSA-N 0 0 339.439 2.611 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cnn(-c2ccccc2)n1 ZINC001159033997 1311438585 /nfs/dbraw/zinc/43/85/85/1311438585.db2.gz PCRKHDDQZWSZTR-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1nccs1)C(F)(F)F ZINC001159069958 1311445091 /nfs/dbraw/zinc/44/50/91/1311445091.db2.gz CMDQBOYQGHHFLZ-NSHDSACASA-N 0 0 332.303 2.517 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC001224930295 1311450981 /nfs/dbraw/zinc/45/09/81/1311450981.db2.gz YRIJABDDQJFWEA-MORSLUCNSA-N 0 0 345.487 2.928 10 10 EFCERN C[C@H](NC(=O)N1CC[C@H](OC(F)F)C1)c1ccc(N(C)C)cc1 ZINC000802297895 1311543066 /nfs/dbraw/zinc/54/30/66/1311543066.db2.gz DIRRSJISUJXOLE-FZMZJTMJSA-N 0 0 327.375 2.837 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001226648054 1311701986 /nfs/dbraw/zinc/70/19/86/1311701986.db2.gz YRQFKADOWFVTHD-KBPBESRZSA-N 0 0 337.464 2.900 10 10 EFCERN CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001161154710 1311871039 /nfs/dbraw/zinc/87/10/39/1311871039.db2.gz VQIHYXOSZKLPCL-DLBZAZTESA-N 0 0 348.830 2.891 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000802840067 1312068595 /nfs/dbraw/zinc/06/85/95/1312068595.db2.gz RTUWTMQBFHKZJC-JZXOWHBKSA-N 0 0 333.428 2.715 10 10 EFCERN CCCn1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nn1 ZINC000902756165 1312080799 /nfs/dbraw/zinc/08/07/99/1312080799.db2.gz WETGWCFUVBVQIT-CQSZACIVSA-N 0 0 347.438 2.515 10 10 EFCERN Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(O)cc1O ZINC001162285640 1312080777 /nfs/dbraw/zinc/08/07/77/1312080777.db2.gz MMZFOVZLQAJQAT-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccc(O)cc3O)cc2C1 ZINC001162286454 1312080953 /nfs/dbraw/zinc/08/09/53/1312080953.db2.gz USTUMRWZADTSQV-LLVKDONJSA-N 0 0 342.395 2.643 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCC(c3cn[nH]c3)CC2)cc1OC ZINC001162389764 1312097172 /nfs/dbraw/zinc/09/71/72/1312097172.db2.gz BJZOZPAZQPHRKE-UHFFFAOYSA-N 0 0 332.360 2.719 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccnc1Cl ZINC001162540545 1312121753 /nfs/dbraw/zinc/12/17/53/1312121753.db2.gz ZNEYNMVUFGJYSD-UHFFFAOYSA-N 0 0 348.786 2.646 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000902874336 1312170782 /nfs/dbraw/zinc/17/07/82/1312170782.db2.gz DWVUTBNQLOJMLT-KGLIPLIRSA-N 0 0 345.365 2.662 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](CO)CCc2ccccc2)cc1 ZINC000902919801 1312211203 /nfs/dbraw/zinc/21/12/03/1312211203.db2.gz PPRCIGISJNNDJE-GOSISDBHSA-N 0 0 341.455 2.546 10 10 EFCERN Oc1c(CNc2ccc3nnc(C(F)F)n3n2)ccc2cccnc21 ZINC001163539353 1312333240 /nfs/dbraw/zinc/33/32/40/1312333240.db2.gz WMFYWQHUGIQXOU-UHFFFAOYSA-N 0 0 342.309 2.928 10 10 EFCERN Cc1ccc(O)c(CNc2ccc3nnc(Br)n3n2)c1 ZINC001163753568 1312377968 /nfs/dbraw/zinc/37/79/68/1312377968.db2.gz CYFFIJMXMRCVPX-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN Nc1c(C(=O)OCCCCF)ccc2c1C(=O)c1ccccc1C2=O ZINC000803225863 1312394266 /nfs/dbraw/zinc/39/42/66/1312394266.db2.gz UYFJYIQBRZRLRV-UHFFFAOYSA-N 0 0 341.338 2.951 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC[C@H]2CC2CC2)c([N+](=O)[O-])c1 ZINC001164201176 1312466442 /nfs/dbraw/zinc/46/64/42/1312466442.db2.gz VAYLTYMCCWVEII-KEDPEKRHSA-N 0 0 346.383 2.786 10 10 EFCERN C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903271186 1312526723 /nfs/dbraw/zinc/52/67/23/1312526723.db2.gz KHCHXLUIMAAJHH-TUKIKUTGSA-N 0 0 337.445 2.531 10 10 EFCERN C[S@](=O)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165497402 1312638018 /nfs/dbraw/zinc/63/80/18/1312638018.db2.gz FGZYPYXTTFAWQY-QFIPXVFZSA-N 0 0 337.828 2.854 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1c[nH]nc1-c1ccncc1 ZINC001165497437 1312638311 /nfs/dbraw/zinc/63/83/11/1312638311.db2.gz GFOFMWIRRJXSJQ-UHFFFAOYSA-N 0 0 328.759 2.761 10 10 EFCERN COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC001165618127 1312653855 /nfs/dbraw/zinc/65/38/55/1312653855.db2.gz MWYAXJKSZFUVCA-MNDMWVCDSA-N 0 0 343.379 2.624 10 10 EFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCc3cc(C)c(C)cc32)c1 ZINC000803461787 1312657739 /nfs/dbraw/zinc/65/77/39/1312657739.db2.gz GPUPJUONDADOEZ-SNAWJCMRSA-N 0 0 335.407 2.661 10 10 EFCERN Cn1ncc2ccc(CNC(=O)NCc3cc(Cl)ccc3O)cc21 ZINC001251379879 1315344839 /nfs/dbraw/zinc/34/48/39/1315344839.db2.gz QAKIMXALRVVTKJ-UHFFFAOYSA-N 0 0 344.802 2.932 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1 ZINC001251700854 1315368284 /nfs/dbraw/zinc/36/82/84/1315368284.db2.gz NWBMBWNZVHRWLF-UHFFFAOYSA-N 0 0 330.359 2.776 10 10 EFCERN O=C(NCc1c(O)cccc1F)NCc1c(F)cc(F)cc1F ZINC001255153497 1315784158 /nfs/dbraw/zinc/78/41/58/1315784158.db2.gz IKQFYOUARDDDSP-UHFFFAOYSA-N 0 0 328.265 2.948 10 10 EFCERN O=C(NCCc1ccnn1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001255555656 1315840511 /nfs/dbraw/zinc/84/05/11/1315840511.db2.gz PXKYRYNPTMRYEJ-UHFFFAOYSA-N 0 0 348.406 2.846 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@]2(C)CCCCO2)cc1 ZINC001255987020 1315889212 /nfs/dbraw/zinc/88/92/12/1315889212.db2.gz ARHJMBPLIBOOPP-IBGZPJMESA-N 0 0 349.475 2.732 10 10 EFCERN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(O)cc1O ZINC001299574063 1316230491 /nfs/dbraw/zinc/23/04/91/1316230491.db2.gz OSFGKBVDNHSTKQ-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCCSC ZINC001299699101 1316361816 /nfs/dbraw/zinc/36/18/16/1316361816.db2.gz OHRGEHRTCIINRB-UHFFFAOYSA-N 0 0 339.457 2.817 10 10 EFCERN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1OC ZINC001299721115 1316377550 /nfs/dbraw/zinc/37/75/50/1316377550.db2.gz BSYHAWVOAMWBPR-UHFFFAOYSA-N 0 0 338.363 2.888 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@]23CCOC3)cc1F ZINC001261392984 1316408829 /nfs/dbraw/zinc/40/88/29/1316408829.db2.gz RCUTXFZNGNLTHI-SFHVURJKSA-N 0 0 335.423 2.746 10 10 EFCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001261787998 1316430489 /nfs/dbraw/zinc/43/04/89/1316430489.db2.gz INCFFDGNYKJCHH-FSZRXZPDSA-N 0 0 331.460 2.898 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCC12CC2 ZINC001261788311 1316430517 /nfs/dbraw/zinc/43/05/17/1316430517.db2.gz RNBSLEKZOLUKCN-KRWDZBQOSA-N 0 0 343.471 2.903 10 10 EFCERN Cc1ccccc1[C@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261871159 1316435082 /nfs/dbraw/zinc/43/50/82/1316435082.db2.gz HTNGUOVBYKTMAV-AWEZNQCLSA-N 0 0 338.407 2.762 10 10 EFCERN COC(=O)COc1ccc(N(C)CCSc2ccncc2)cc1 ZINC001262256089 1316456902 /nfs/dbraw/zinc/45/69/02/1316456902.db2.gz FNKAVWHPTZADQN-UHFFFAOYSA-N 0 0 332.425 2.862 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1F ZINC001264827226 1316671623 /nfs/dbraw/zinc/67/16/23/1316671623.db2.gz SEAFDEHFGUCYFY-UHFFFAOYSA-N 0 0 326.375 2.708 10 10 EFCERN CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280189004 1317473234 /nfs/dbraw/zinc/47/32/34/1317473234.db2.gz FPXVWMVDICDPMG-VXGBXAGGSA-N 0 0 347.419 2.662 10 10 EFCERN CCOC(OCC)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001306066923 1321609699 /nfs/dbraw/zinc/60/96/99/1321609699.db2.gz CJNPSOVNXICNCE-VIFPVBQESA-N 0 0 339.413 2.830 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001288764005 1321755924 /nfs/dbraw/zinc/75/59/24/1321755924.db2.gz KCZFPAOYKPQXAQ-NVXWUHKLSA-N 0 0 326.396 2.633 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2N)cc1 ZINC001290249752 1321892027 /nfs/dbraw/zinc/89/20/27/1321892027.db2.gz MIQCEUUXHKSPRB-UHFFFAOYSA-N 0 0 349.438 2.510 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC001290271585 1321893704 /nfs/dbraw/zinc/89/37/04/1321893704.db2.gz PEKMONNALXGAPV-UHFFFAOYSA-N 0 0 340.339 2.550 10 10 EFCERN CN(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001290630596 1321937909 /nfs/dbraw/zinc/93/79/09/1321937909.db2.gz WRUPQCGNSURIPM-XFXZXTDPSA-N 0 0 338.429 2.505 10 10 EFCERN COc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001290740157 1321949333 /nfs/dbraw/zinc/94/93/33/1321949333.db2.gz QANVEMZHJCFTGK-UHFFFAOYSA-N 0 0 339.439 2.890 10 10 EFCERN C[C@H](NC(=O)CCCn1cccc1)c1ccc(N2CCOCC2)cc1 ZINC001292235963 1322046169 /nfs/dbraw/zinc/04/61/69/1322046169.db2.gz OMBCRQQMQZCHEO-KRWDZBQOSA-N 0 0 341.455 2.982 10 10 EFCERN CN(c1ccc(CNC(=O)Cn2nccc2N)cc1)C1CCCCC1 ZINC001292256644 1322047699 /nfs/dbraw/zinc/04/76/99/1322047699.db2.gz GOXLVCWUCNUMLE-UHFFFAOYSA-N 0 0 341.459 2.551 10 10 EFCERN CCc1[nH]c(=O)c(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC001292283689 1322051181 /nfs/dbraw/zinc/05/11/81/1322051181.db2.gz YUJVPZLBCSIJPP-UHFFFAOYSA-N 0 0 331.391 2.793 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](OC)C(C)C ZINC001292841274 1322133208 /nfs/dbraw/zinc/13/32/08/1322133208.db2.gz PDYDCQGETZZKNE-INIZCTEOSA-N 0 0 332.448 2.854 10 10 EFCERN C[C@@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001293622131 1322300499 /nfs/dbraw/zinc/30/04/99/1322300499.db2.gz SLLMLAFMVGBLCV-GOSISDBHSA-N 0 0 343.404 2.950 10 10 EFCERN COc1ccccc1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293918280 1322379935 /nfs/dbraw/zinc/37/99/35/1322379935.db2.gz MJTXQEUTHGJLAG-AWEZNQCLSA-N 0 0 327.380 2.665 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001294224057 1322434981 /nfs/dbraw/zinc/43/49/81/1322434981.db2.gz QTHKCIMJUKHEBC-UHFFFAOYSA-N 0 0 344.367 2.688 10 10 EFCERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294542391 1322508764 /nfs/dbraw/zinc/50/87/64/1322508764.db2.gz MZXHDDSHZNSMJE-ZWNOBZJWSA-N 0 0 330.344 2.684 10 10 EFCERN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294542388 1322508991 /nfs/dbraw/zinc/50/89/91/1322508991.db2.gz MZXHDDSHZNSMJE-GWCFXTLKSA-N 0 0 330.344 2.684 10 10 EFCERN CCOc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1CO ZINC001294916079 1322598003 /nfs/dbraw/zinc/59/80/03/1322598003.db2.gz OKGSYJYZCOYLOC-UHFFFAOYSA-N 0 0 342.355 2.992 10 10 EFCERN O=C(NCc1ccccc1O)c1cc(NCc2ccccc2)ccn1 ZINC001294924737 1322600138 /nfs/dbraw/zinc/60/01/38/1322600138.db2.gz IPSURFNHZBOMSA-UHFFFAOYSA-N 0 0 333.391 2.751 10 10 EFCERN CCOc1nc2cc(C(=O)NCc3cccc(OC)c3O)ccc2[nH]1 ZINC001294925354 1322600229 /nfs/dbraw/zinc/60/02/29/1322600229.db2.gz OAMOMNAMDLNXMV-UHFFFAOYSA-N 0 0 341.367 2.606 10 10 EFCERN COc1cccc(CNC(=O)c2ccc3c(c2)OC(F)(F)O3)c1O ZINC001294925928 1322600533 /nfs/dbraw/zinc/60/05/33/1322600533.db2.gz VGOULKFEVFGOFF-UHFFFAOYSA-N 0 0 337.278 2.652 10 10 EFCERN O=C(NCc1ccccc1O)c1cccc(CNc2ccncn2)c1 ZINC001294926160 1322600668 /nfs/dbraw/zinc/60/06/68/1322600668.db2.gz YMPJKRKJDTXUCZ-UHFFFAOYSA-N 0 0 334.379 2.724 10 10 EFCERN COc1ccc2c(c1)OCC(C(=O)NCc1cccc(OC)c1O)=C2 ZINC001294926079 1322600721 /nfs/dbraw/zinc/60/07/21/1322600721.db2.gz YLPMIDMZWKVJOY-UHFFFAOYSA-N 0 0 341.363 2.502 10 10 EFCERN COc1cccc(CNC(=O)c2cc(-c3ccccc3)nn2C)c1O ZINC001294925977 1322600853 /nfs/dbraw/zinc/60/08/53/1322600853.db2.gz WDKSCYMXQYGQBG-UHFFFAOYSA-N 0 0 337.379 2.731 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(-c2ccccc2)n1 ZINC001295039577 1322622735 /nfs/dbraw/zinc/62/27/35/1322622735.db2.gz YSDVFCUCBZDZCI-NSHDSACASA-N 0 0 339.351 2.568 10 10 EFCERN CON(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCOc2ccccc21 ZINC001295382507 1322691140 /nfs/dbraw/zinc/69/11/40/1322691140.db2.gz YFIMJKFMTTWJCS-OAHLLOKOSA-N 0 0 343.379 2.944 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1ncon1 ZINC001295818843 1322787483 /nfs/dbraw/zinc/78/74/83/1322787483.db2.gz YXVJXZZJGADQCH-UHFFFAOYSA-N 0 0 338.367 2.562 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC001295892146 1322800000 /nfs/dbraw/zinc/80/00/00/1322800000.db2.gz ONUREFOQMSDNSD-KBPBESRZSA-N 0 0 328.372 2.823 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Oc2cccc3c2OCCO3)cc1 ZINC001296139563 1322857504 /nfs/dbraw/zinc/85/75/04/1322857504.db2.gz VXYOWYIYHBLIMM-UHFFFAOYSA-N 0 0 327.296 2.839 10 10 EFCERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001296245704 1322872660 /nfs/dbraw/zinc/87/26/60/1322872660.db2.gz GOHNAJBTNZYJSG-SNVBAGLBSA-N 0 0 348.330 2.815 10 10 EFCERN CC(C)(C)OC(=O)CCCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001296292904 1322881480 /nfs/dbraw/zinc/88/14/80/1322881480.db2.gz FKIQVZZZBJJFKE-UHFFFAOYSA-N 0 0 337.416 2.659 10 10 EFCERN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1NC(=O)N(C)C ZINC001296827240 1323021362 /nfs/dbraw/zinc/02/13/62/1323021362.db2.gz LXRIQSPJAYTYDP-UHFFFAOYSA-N 0 0 343.383 2.681 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2O)n1 ZINC001307229626 1323132998 /nfs/dbraw/zinc/13/29/98/1323132998.db2.gz KUAXDSNUXVWAMW-UHFFFAOYSA-N 0 0 337.719 2.748 10 10 EFCERN Cc1cccc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001297618453 1323298345 /nfs/dbraw/zinc/29/83/45/1323298345.db2.gz VMPYIDXTDLLRQS-UHFFFAOYSA-N 0 0 325.372 2.915 10 10 EFCERN CCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626112 1323577584 /nfs/dbraw/zinc/57/75/84/1323577584.db2.gz QCMKDRFANHZNDX-NWDGAFQWSA-N 0 0 347.419 2.520 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc[nH]c1=O ZINC001298829714 1323617386 /nfs/dbraw/zinc/61/73/86/1323617386.db2.gz HPAUNCRCEJHFKG-UHFFFAOYSA-N 0 0 331.335 2.749 10 10 EFCERN COc1cccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC001299788355 1323707317 /nfs/dbraw/zinc/70/73/17/1323707317.db2.gz KMUKQBFZVYRLDR-UHFFFAOYSA-N 0 0 339.439 2.939 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC000746390612 1323978666 /nfs/dbraw/zinc/97/86/66/1323978666.db2.gz OCRMISCRWNYJJT-XQRVVYSFSA-N 0 0 333.369 2.874 10 10 EFCERN COc1ccc2c(c1)C=C(C(=O)NCc1cc(C)ccc1O)CO2 ZINC001301047064 1324519926 /nfs/dbraw/zinc/51/99/26/1324519926.db2.gz QVQGVLQYZYRDDU-UHFFFAOYSA-N 0 0 325.364 2.801 10 10 EFCERN COCC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001301127586 1324524641 /nfs/dbraw/zinc/52/46/41/1324524641.db2.gz QUSYRPZKZRUYFX-UHFFFAOYSA-N 0 0 330.432 2.745 10 10 EFCERN Cc1cccc2c1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CO2 ZINC001301279328 1324533734 /nfs/dbraw/zinc/53/37/34/1324533734.db2.gz SRYKTYINCVRGEC-OWNNVSBGSA-N 0 0 325.364 2.539 10 10 EFCERN Cc1cc(CNC(=O)[C@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC001302267428 1324570293 /nfs/dbraw/zinc/57/02/93/1324570293.db2.gz MPBJVAMOICDVCY-LJQANCHMSA-N 0 0 335.407 2.839 10 10 EFCERN COc1ccc2onc(CC(=O)N[C@H](C)c3ccccc3O)c2c1 ZINC001302532704 1324579802 /nfs/dbraw/zinc/57/98/02/1324579802.db2.gz PHYLWHYPXMQORK-LLVKDONJSA-N 0 0 326.352 2.962 10 10 EFCERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001302532472 1324580024 /nfs/dbraw/zinc/58/00/24/1324580024.db2.gz FBIHMUFKBUGJKG-LBPRGKRZSA-N 0 0 333.409 2.595 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001303018718 1324591496 /nfs/dbraw/zinc/59/14/96/1324591496.db2.gz IYVXEICRPAMOQN-MRXNPFEDSA-N 0 0 338.407 2.652 10 10 EFCERN CN(C)[C@@H](C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 ZINC001303195301 1324597357 /nfs/dbraw/zinc/59/73/57/1324597357.db2.gz SWPVEDFDIZNBGY-OAHLLOKOSA-N 0 0 334.803 2.670 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1csc(-c2ccccn2)n1 ZINC001303223560 1324598355 /nfs/dbraw/zinc/59/83/55/1324598355.db2.gz VENZTUHUEAHXLE-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1nc2c(cccc2CCNC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC001303392587 1324603854 /nfs/dbraw/zinc/60/38/54/1324603854.db2.gz APUDFPKCPSNHRC-SOFGYWHQSA-N 0 0 338.363 2.920 10 10 EFCERN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1c(O)cccc1O ZINC001304050345 1324633954 /nfs/dbraw/zinc/63/39/54/1324633954.db2.gz LICJSXICQSBVSB-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN COCCn1cc(C(=O)NCc2c(O)cccc2O)c2ccccc21 ZINC001304050181 1324634124 /nfs/dbraw/zinc/63/41/24/1324634124.db2.gz JVTRWMNTHUFRTK-UHFFFAOYSA-N 0 0 340.379 2.629 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)nc1 ZINC001304089927 1324636620 /nfs/dbraw/zinc/63/66/20/1324636620.db2.gz RBJJJKKJOZYIPK-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN O=C(CNC(=O)Nc1ccccc1)NCc1c(O)ccc2ccccc21 ZINC001304089838 1324636705 /nfs/dbraw/zinc/63/67/05/1324636705.db2.gz NUJKHHXSOMVYNH-UHFFFAOYSA-N 0 0 349.390 2.983 10 10 EFCERN NC(=O)NCc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001304089960 1324637148 /nfs/dbraw/zinc/63/71/48/1324637148.db2.gz SOZIFDKXZKMKMZ-UHFFFAOYSA-N 0 0 349.390 2.644 10 10 EFCERN COCCn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001304091217 1324637654 /nfs/dbraw/zinc/63/76/54/1324637654.db2.gz ZSFIFHPEJPYKOZ-UHFFFAOYSA-N 0 0 339.395 2.627 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(=O)c(O)co2)cc1 ZINC001304515656 1324652217 /nfs/dbraw/zinc/65/22/17/1324652217.db2.gz OEAZAFMEVJNURX-UHFFFAOYSA-N 0 0 338.363 2.683 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cnc(-c2ncccn2)s1 ZINC001305069702 1324671459 /nfs/dbraw/zinc/67/14/59/1324671459.db2.gz LLUJIVJXGJPVSG-UHFFFAOYSA-N 0 0 346.799 2.889 10 10 EFCERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC001305069289 1324671798 /nfs/dbraw/zinc/67/17/98/1324671798.db2.gz BMALPFYTZQEFJY-MGPLVRAMSA-N 0 0 333.771 2.890 10 10 EFCERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC001305069291 1324671888 /nfs/dbraw/zinc/67/18/88/1324671888.db2.gz BMALPFYTZQEFJY-QLJPJBMISA-N 0 0 333.771 2.890 10 10 EFCERN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC001307190809 1324748753 /nfs/dbraw/zinc/74/87/53/1324748753.db2.gz YORFXWGGNSBBQM-UHFFFAOYSA-N 0 0 343.383 2.939 10 10 EFCERN COC[C@]1(C(=O)[O-])CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000901866501 1324759634 /nfs/dbraw/zinc/75/96/34/1324759634.db2.gz WETGWILTMZSMCK-OQBYNLHGSA-N 0 0 332.444 2.579 10 10 EFCERN CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC000901933932 1324760243 /nfs/dbraw/zinc/76/02/43/1324760243.db2.gz NMQABJXLOJKYKF-QAPCUYQASA-N 0 0 334.460 2.987 10 10 EFCERN COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)CC2)cc1 ZINC000901958126 1324762450 /nfs/dbraw/zinc/76/24/50/1324762450.db2.gz FUQSMYVBNYWIAU-ZBQZNYHESA-N 0 0 330.428 2.507 10 10 EFCERN COc1ccc(N(C)CCN(C)CC(=O)N(CC(C)C)C2CC2)cc1 ZINC001307897428 1324785187 /nfs/dbraw/zinc/78/51/87/1324785187.db2.gz PPXSYOLQMQMREW-UHFFFAOYSA-N 0 0 347.503 2.710 10 10 EFCERN C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903290422 1324830223 /nfs/dbraw/zinc/83/02/23/1324830223.db2.gz WKACXDASVKVNHJ-ZFWWWQNUSA-N 0 0 330.384 2.945 10 10 EFCERN CC[C@@H]([NH2+]CC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062878 1324862572 /nfs/dbraw/zinc/86/25/72/1324862572.db2.gz WWNFVXAPVTXUNP-LLYBFZRZSA-N 0 0 328.416 2.928 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](O)[C@@H]1C ZINC001312884862 1324998545 /nfs/dbraw/zinc/99/85/45/1324998545.db2.gz MXHZSZSHYMLFGA-VKJFTORMSA-N 0 0 333.476 2.547 10 10 EFCERN CC[C@H](C)CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001312976541 1325002194 /nfs/dbraw/zinc/00/21/94/1325002194.db2.gz NHFBTKXTXOUQOG-HNNXBMFYSA-N 0 0 349.475 2.972 10 10 EFCERN COc1ccc(CNC(=O)NCc2noc3ccccc23)c(O)c1 ZINC001313276398 1325011402 /nfs/dbraw/zinc/01/14/02/1325011402.db2.gz OUJDTFHYUBAUBM-UHFFFAOYSA-N 0 0 327.340 2.541 10 10 EFCERN CN(Cc1cc(F)cc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC001321156830 1329350473 /nfs/dbraw/zinc/35/04/73/1329350473.db2.gz JOLBWCYUGDENNM-UHFFFAOYSA-N 0 0 349.293 2.840 10 10 EFCERN Nc1ccc2c(ncnc2N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC001323407470 1329541480 /nfs/dbraw/zinc/54/14/80/1329541480.db2.gz VNDSASODMARDBS-UHFFFAOYSA-N 0 0 338.802 2.949 10 10 EFCERN CO[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC001324460807 1329630075 /nfs/dbraw/zinc/63/00/75/1329630075.db2.gz GGHIPUHGCUTWAP-NEPJUHHUSA-N 0 0 343.221 2.521 10 10 EFCERN COCCN(Cc1cn(C(C)C)nn1)c1ccc(OC)c(OC)c1 ZINC001326112740 1329733550 /nfs/dbraw/zinc/73/35/50/1329733550.db2.gz RNQMXJMVXYUXAF-UHFFFAOYSA-N 0 0 334.420 2.529 10 10 EFCERN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310779 1330457915 /nfs/dbraw/zinc/45/79/15/1330457915.db2.gz HCNQQKPXKUAAKA-INIZCTEOSA-N 0 0 347.478 2.721 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001327549724 1330497101 /nfs/dbraw/zinc/49/71/01/1330497101.db2.gz BAORXSVLVRAFNP-ZSBIGDGJSA-N 0 0 327.350 2.735 10 10 EFCERN Cc1cc(CC(=O)NCC(=O)NCC(C)C)c(C)n1-c1ccccc1 ZINC001327815337 1330518196 /nfs/dbraw/zinc/51/81/96/1330518196.db2.gz HAFSSDUIUVUFMR-UHFFFAOYSA-N 0 0 341.455 2.525 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CC4CCC3CC4)C2)cc1 ZINC001327975359 1330537049 /nfs/dbraw/zinc/53/70/49/1330537049.db2.gz YWFVOKFGDFDACY-CKDBGZEDSA-N 0 0 329.444 2.858 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC4CCC3CC4)C2)cc1 ZINC001327975360 1330537110 /nfs/dbraw/zinc/53/71/10/1330537110.db2.gz YWFVOKFGDFDACY-ISXOHVOVSA-N 0 0 329.444 2.858 10 10 EFCERN CCC(C)(C)[C@H](C)NC(=O)C(=O)NCCCSc1nccs1 ZINC001327985965 1330537996 /nfs/dbraw/zinc/53/79/96/1330537996.db2.gz FYACSEZQRPRAGC-NSHDSACASA-N 0 0 343.518 2.682 10 10 EFCERN C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC001328024215 1330542885 /nfs/dbraw/zinc/54/28/85/1330542885.db2.gz OHJFWWUWDPKIQB-CYBMUJFWSA-N 0 0 330.407 2.890 10 10 EFCERN Cc1ccc(O)c(CNS(=O)(=O)CC2Cc3ccccc3C2)c1 ZINC001328770358 1330630075 /nfs/dbraw/zinc/63/00/75/1330630075.db2.gz RSPLKWGBRLTTTA-UHFFFAOYSA-N 0 0 331.437 2.535 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC001328820555 1330637939 /nfs/dbraw/zinc/63/79/39/1330637939.db2.gz JAWZHJQLXIFGNJ-BETUJISGSA-N 0 0 345.830 2.741 10 10 EFCERN CC1CCC(N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C2CC2)CC1 ZINC001329411879 1330704802 /nfs/dbraw/zinc/70/48/02/1330704802.db2.gz UZTYMFKTMSLOGC-UHFFFAOYSA-N 0 0 342.439 2.804 10 10 EFCERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001329497269 1330712181 /nfs/dbraw/zinc/71/21/81/1330712181.db2.gz MLUURXYPBMVUGI-CVEARBPZSA-N 0 0 344.455 2.908 10 10 EFCERN COc1ccc(C[NH2+][C@@H](CC=C(C)C)C(=O)[O-])cc1Cn1cccn1 ZINC001329633699 1330725551 /nfs/dbraw/zinc/72/55/51/1330725551.db2.gz VESWOMVTZIMMQP-KRWDZBQOSA-N 0 0 343.427 2.839 10 10 EFCERN Cc1cc(CCNC(=O)C(=O)N(C)C(C)C)c(C)n1-c1ccccc1 ZINC001329712759 1330730351 /nfs/dbraw/zinc/73/03/51/1330730351.db2.gz ZOMFNSSOQOEQFA-UHFFFAOYSA-N 0 0 341.455 2.620 10 10 EFCERN COc1ccc(N(C)CC[N@H+](C)Cc2cc(CO)ccc2F)cc1 ZINC001329839565 1330741737 /nfs/dbraw/zinc/74/17/37/1330741737.db2.gz FIOWDVIPCSXHNE-UHFFFAOYSA-N 0 0 332.419 2.895 10 10 EFCERN O=C(C(=O)N1CCCC12CCCCC2)N1Cc2cccc(O)c2C1 ZINC001329844329 1330742254 /nfs/dbraw/zinc/74/22/54/1330742254.db2.gz RFTXZNSKOPPGDR-UHFFFAOYSA-N 0 0 328.412 2.560 10 10 EFCERN COCCOc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC001331260378 1330812047 /nfs/dbraw/zinc/81/20/47/1330812047.db2.gz ACHRZSZUFKGIRN-UHFFFAOYSA-N 0 0 344.411 2.725 10 10 EFCERN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@]3(C)Br)ccc21 ZINC001331332239 1330823750 /nfs/dbraw/zinc/82/37/50/1330823750.db2.gz CCAMIQVWGPQPHS-BBRMVZONSA-N 0 0 337.261 2.859 10 10 EFCERN CCC1CCC(N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001331937347 1330893635 /nfs/dbraw/zinc/89/36/35/1330893635.db2.gz KQCUJKOLUQSCPS-UHFFFAOYSA-N 0 0 330.428 2.662 10 10 EFCERN CCCN(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331986389 1330900896 /nfs/dbraw/zinc/90/08/96/1330900896.db2.gz PGFDSXPEUAEWSZ-UHFFFAOYSA-N 0 0 338.407 2.673 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001332323903 1330957713 /nfs/dbraw/zinc/95/77/13/1330957713.db2.gz ODBXNVBGJUSXJO-BHYGNILZSA-N 0 0 344.455 2.826 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(F)ncc3C)C2)cc1 ZINC001332896285 1331035866 /nfs/dbraw/zinc/03/58/66/1331035866.db2.gz QNOAZSSJCBJWBY-AWEZNQCLSA-N 0 0 343.402 2.794 10 10 EFCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001334088946 1331247717 /nfs/dbraw/zinc/24/77/17/1331247717.db2.gz NIYZMZJIERARFF-YARLLXPPSA-N 0 0 344.455 2.768 10 10 EFCERN C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CCF)C1)c1ccc(N(C)C)cc1 ZINC001334123849 1331251335 /nfs/dbraw/zinc/25/13/35/1331251335.db2.gz VKPMPAWCSCRXBJ-CABCVRRESA-N 0 0 349.450 2.528 10 10 EFCERN O=C(C(=O)N1Cc2cccc(O)c2C1)N(C1CC1)C1CCCCC1 ZINC001335560125 1331373464 /nfs/dbraw/zinc/37/34/64/1331373464.db2.gz ZVCDMVPXJROUCB-UHFFFAOYSA-N 0 0 328.412 2.558 10 10 EFCERN COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001336157679 1331441101 /nfs/dbraw/zinc/44/11/01/1331441101.db2.gz RHZDLGMYAKHZDN-RUFWOKOUSA-N 0 0 331.343 2.754 10 10 EFCERN c1cn2ccnc(NCc3ccc(N4CCSCC4)cc3)c2n1 ZINC001336684025 1331491816 /nfs/dbraw/zinc/49/18/16/1331491816.db2.gz DVJFFKGEFHYZSJ-UHFFFAOYSA-N 0 0 325.441 2.895 10 10 EFCERN COC(=O)[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001341079272 1332232456 /nfs/dbraw/zinc/23/24/56/1332232456.db2.gz SWKBFIQBULYACQ-IBGZPJMESA-N 0 0 346.471 2.735 10 10 EFCERN Cc1cc(C(=O)OC[C@@]2(C)CCN(C)C2=O)c(C)n1-c1ccccn1 ZINC001343905033 1332389700 /nfs/dbraw/zinc/38/97/00/1332389700.db2.gz IXEPKOGIXLJASU-LJQANCHMSA-N 0 0 341.411 2.514 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3nc(CC)oc3C)CC2)cc1 ZINC001345432429 1332538609 /nfs/dbraw/zinc/53/86/09/1332538609.db2.gz IAXRBRWAROSNFM-UHFFFAOYSA-N 0 0 343.427 2.907 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001345507569 1332543909 /nfs/dbraw/zinc/54/39/09/1332543909.db2.gz OAANBFWWAGKREI-QZTJIDSGSA-N 0 0 331.460 2.996 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ncccc1NCC1CCC1 ZINC001346452102 1332642844 /nfs/dbraw/zinc/64/28/44/1332642844.db2.gz UCVNPGWXNUVXLL-UHFFFAOYSA-N 0 0 341.411 2.677 10 10 EFCERN CNc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC001346780388 1332688644 /nfs/dbraw/zinc/68/86/44/1332688644.db2.gz YEQBVLAYEQHYBK-UHFFFAOYSA-N 0 0 340.427 2.707 10 10 EFCERN CCn1cccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001347395659 1332740782 /nfs/dbraw/zinc/74/07/82/1332740782.db2.gz QUMUIAPHGXSASR-OAHLLOKOSA-N 0 0 327.428 2.836 10 10 EFCERN COc1cc(C(=O)NCc2cccc(O)c2O)ccc1OC(C)C ZINC001347531369 1332753078 /nfs/dbraw/zinc/75/30/78/1332753078.db2.gz XOOUCRKZNRAPRR-UHFFFAOYSA-N 0 0 331.368 2.824 10 10 EFCERN CCc1c(C(=O)NCc2cccc(O)c2O)cnn1CCC(C)C ZINC001347543272 1332754190 /nfs/dbraw/zinc/75/41/90/1332754190.db2.gz ZUSLIKZXDJPJOI-UHFFFAOYSA-N 0 0 331.416 2.833 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc[n+]([O-])c1 ZINC001347836899 1332777095 /nfs/dbraw/zinc/77/70/95/1332777095.db2.gz HFLLYNLYNNSIMR-UHFFFAOYSA-N 0 0 328.416 2.829 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CC[C@H]2[C@@H](C)n3nccc3N[C@H]2C)c1 ZINC001347852872 1332778190 /nfs/dbraw/zinc/77/81/90/1332778190.db2.gz XXPYTOAKEOHOBF-SQWLQELKSA-N 0 0 342.443 2.985 10 10 EFCERN Cc1cc(CCNC(=O)NCC2COC2)c(C)n1-c1ccccc1 ZINC001348133792 1332802313 /nfs/dbraw/zinc/80/23/13/1332802313.db2.gz HQYWBYIJGOHEEB-UHFFFAOYSA-N 0 0 327.428 2.582 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)c2c[nH]cn2)c(C)n1-c1ccccc1C ZINC001348153865 1332804884 /nfs/dbraw/zinc/80/48/84/1332804884.db2.gz DRQJHXYXXHGTMH-GOSISDBHSA-N 0 0 338.411 2.589 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C(C)C)C1 ZINC001348209082 1332811687 /nfs/dbraw/zinc/81/16/87/1332811687.db2.gz UFNCEGPMNAZUSN-HNNXBMFYSA-N 0 0 332.444 2.635 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2c(Cl)nn(C)c2Cl)cc1F ZINC001348459760 1332838875 /nfs/dbraw/zinc/83/88/75/1332838875.db2.gz WGAURFJGLSZECQ-UHFFFAOYSA-N 0 0 345.205 2.862 10 10 EFCERN O=[N+]([O-])c1cc(CN2CC[C@]23CCOC3)ccc1N1CCCCC1 ZINC001348633247 1332855336 /nfs/dbraw/zinc/85/53/36/1332855336.db2.gz LXYGPCKXTSDLFX-GOSISDBHSA-N 0 0 331.416 2.950 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(O)cc3C)C2)cc1 ZINC001348863271 1332877848 /nfs/dbraw/zinc/87/78/48/1332877848.db2.gz IJIDLTSNMHIPOZ-MRXNPFEDSA-N 0 0 340.423 2.647 10 10 EFCERN Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001348912485 1332883517 /nfs/dbraw/zinc/88/35/17/1332883517.db2.gz WOMCWKIKDPTNDL-UHFFFAOYSA-N 0 0 349.434 2.843 10 10 EFCERN CC(=O)N1CC[C@](C)(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001349116897 1332906695 /nfs/dbraw/zinc/90/66/95/1332906695.db2.gz FCLAJCKSOUFKEQ-FQEVSTJZSA-N 0 0 343.471 2.504 10 10 EFCERN Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC23CCCCC3)cc1 ZINC001350341572 1333066850 /nfs/dbraw/zinc/06/68/50/1333066850.db2.gz KERBZESHEZBHAW-QGZVFWFLSA-N 0 0 343.471 2.547 10 10 EFCERN CO[C@H]1CC[C@H]1N(C)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350548215 1333095548 /nfs/dbraw/zinc/09/55/48/1333095548.db2.gz YEIYOQVVVKIANF-YPMHNXCESA-N 0 0 334.445 2.736 10 10 EFCERN C[C@H](c1nnc(N(C)Cc2ccccc2O)n1CC1CC1)C(C)(C)O ZINC001351253242 1333201667 /nfs/dbraw/zinc/20/16/67/1333201667.db2.gz BYKJGCJPLBWBQB-CYBMUJFWSA-N 0 0 344.459 2.905 10 10 EFCERN CC(=O)N[C@@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001351673733 1333266733 /nfs/dbraw/zinc/26/67/33/1333266733.db2.gz NQHOYNIPJZNZEE-HXUWFJFHSA-N 0 0 345.487 2.796 10 10 EFCERN COC12CCC(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)(CC1)C(=O)C2 ZINC001351775541 1333284752 /nfs/dbraw/zinc/28/47/52/1333284752.db2.gz LMRIXDVDWNQPCR-JAGHRAMZSA-N 0 0 344.455 2.848 10 10 EFCERN CCNc1cccnc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001352423831 1333528205 /nfs/dbraw/zinc/52/82/05/1333528205.db2.gz OJOJUDMESCEAAU-AWEZNQCLSA-N 0 0 340.427 2.531 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000847317021 1333536250 /nfs/dbraw/zinc/53/62/50/1333536250.db2.gz OGZYTHSJPMGFKN-DLBZAZTESA-N 0 0 334.416 2.548 10 10 EFCERN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001352584954 1333614249 /nfs/dbraw/zinc/61/42/49/1333614249.db2.gz MRGHNCIGKUQCKX-GOEBONIOSA-N 0 0 332.444 2.997 10 10 EFCERN COc1cccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000847397636 1333659204 /nfs/dbraw/zinc/65/92/04/1333659204.db2.gz SWMULNNJKLAVEE-ZBFHGGJFSA-N 0 0 334.416 2.548 10 10 EFCERN COc1cccc(CNC(=O)NCc2cccc(C)c2OC)c1O ZINC000847417731 1333685635 /nfs/dbraw/zinc/68/56/35/1333685635.db2.gz OLWRVTFSLHMJLW-UHFFFAOYSA-N 0 0 330.384 2.717 10 10 EFCERN COCC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000847421142 1333690371 /nfs/dbraw/zinc/69/03/71/1333690371.db2.gz NNAOEWQYEXXKRW-MRXNPFEDSA-N 0 0 348.443 2.509 10 10 EFCERN COc1ccc(O)c(CNC(=O)CCCCC(=O)OC(C)(C)C)c1 ZINC000847590590 1333962831 /nfs/dbraw/zinc/96/28/31/1333962831.db2.gz BEIMMRUQVHEAMX-UHFFFAOYSA-N 0 0 337.416 2.919 10 10 EFCERN CCC(CC)(CO)C(=O)NCc1cc(Br)ccc1O ZINC000848069125 1334240735 /nfs/dbraw/zinc/24/07/35/1334240735.db2.gz QTHBZKPMBPZSCR-UHFFFAOYSA-N 0 0 330.222 2.570 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000848598949 1334809966 /nfs/dbraw/zinc/80/99/66/1334809966.db2.gz VIZRBNJJZBOJGZ-ZIAGYGMSSA-N 0 0 345.365 2.611 10 10 EFCERN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1 ZINC000848617931 1334813801 /nfs/dbraw/zinc/81/38/01/1334813801.db2.gz GCTFCCMAWOIJHW-JLLWLGSASA-N 0 0 349.412 2.717 10 10 EFCERN CCc1cccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000848888927 1334964492 /nfs/dbraw/zinc/96/44/92/1334964492.db2.gz DGHJVOHMQGSBPY-IRXDYDNUSA-N 0 0 331.412 2.872 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848906580 1334977336 /nfs/dbraw/zinc/97/73/36/1334977336.db2.gz AUGTWSFBPNWMHA-UHFFFAOYSA-N 0 0 336.233 2.977 10 10 EFCERN CC(=O)N[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC001356267085 1335004701 /nfs/dbraw/zinc/00/47/01/1335004701.db2.gz MBXYYRMJAXHVHE-GOSISDBHSA-N 0 0 345.487 2.796 10 10 EFCERN CCOC(=O)CN(C(=O)/C=C(\C)c1cnccn1)c1ccc(F)cc1 ZINC001356461623 1335039303 /nfs/dbraw/zinc/03/93/03/1335039303.db2.gz SWYONHNLZGJIGE-JLHYYAGUSA-N 0 0 343.358 2.615 10 10 EFCERN COC(=O)/C=C\c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC001357201416 1335291256 /nfs/dbraw/zinc/29/12/56/1335291256.db2.gz YCYOCYNNWVPIGJ-TWGQIWQCSA-N 0 0 346.358 2.601 10 10 EFCERN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Br)cn1 ZINC001358339962 1335372888 /nfs/dbraw/zinc/37/28/88/1335372888.db2.gz RJLVUFINOIZXDH-ALCCZGGFSA-N 0 0 335.205 2.644 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC000935945551 1335464356 /nfs/dbraw/zinc/46/43/56/1335464356.db2.gz BQXMMXBHVXCIIZ-UHFFFAOYSA-N 0 0 346.383 2.801 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000935945530 1335464377 /nfs/dbraw/zinc/46/43/77/1335464377.db2.gz AZKIYJLZBOLNEE-HNNXBMFYSA-N 0 0 340.803 2.881 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1-n1cccn1 ZINC000935946307 1335464657 /nfs/dbraw/zinc/46/46/57/1335464657.db2.gz FBSTUTDVSOPKFI-UHFFFAOYSA-N 0 0 342.395 2.994 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000935946428 1335464721 /nfs/dbraw/zinc/46/47/21/1335464721.db2.gz HFKMVSYCVDANBJ-SFHVURJKSA-N 0 0 338.375 2.541 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nc(C)sc1C ZINC000935947885 1335465166 /nfs/dbraw/zinc/46/51/66/1335465166.db2.gz GMPORASAVOFBQG-UHFFFAOYSA-N 0 0 325.430 2.810 10 10 EFCERN COc1ccc(N2CC[C@H](n3c(=O)[nH]c4ccccc4c3=O)C2)cc1 ZINC000849173016 1335563689 /nfs/dbraw/zinc/56/36/89/1335563689.db2.gz AOTKJOKAVBWAGW-AWEZNQCLSA-N 0 0 337.379 2.562 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccccc3)C2)cc1 ZINC000849225467 1335572034 /nfs/dbraw/zinc/57/20/34/1335572034.db2.gz VDIBETXAHRDDOY-MRXNPFEDSA-N 0 0 325.412 2.773 10 10 EFCERN Cn1ncc(C(F)(F)F)c1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000849242311 1335575775 /nfs/dbraw/zinc/57/57/75/1335575775.db2.gz CXWQJLAEBJBJRJ-YRNVUSSQSA-N 0 0 344.362 2.895 10 10 EFCERN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(C)c3)C2)cc1 ZINC000849416143 1335610613 /nfs/dbraw/zinc/61/06/13/1335610613.db2.gz KPGLKTOKQRLRHR-OAHLLOKOSA-N 0 0 346.452 2.561 10 10 EFCERN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000849416194 1335610693 /nfs/dbraw/zinc/61/06/93/1335610693.db2.gz MAFGWLANGRCFMI-HNNXBMFYSA-N 0 0 346.452 2.561 10 10 EFCERN COC(=O)CCN(C(=O)/C=C(\C)c1cnccn1)c1cccc(F)c1 ZINC001361058795 1335953930 /nfs/dbraw/zinc/95/39/30/1335953930.db2.gz QAPPTUMVRKIXQH-JLHYYAGUSA-N 0 0 343.358 2.615 10 10 EFCERN CCn1ncc(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC001438307114 1388497021 /nfs/dbraw/zinc/49/70/21/1388497021.db2.gz XLLGLVPSTYSTSE-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCc2c1cnn2C ZINC001545933475 1389746625 /nfs/dbraw/zinc/74/66/25/1389746625.db2.gz LRNHHSZIPFUTIK-AWEZNQCLSA-N 0 0 340.387 2.732 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3n2C)cc1 ZINC001440666698 1389807703 /nfs/dbraw/zinc/80/77/03/1389807703.db2.gz OJNSWPMRICBZFG-UHFFFAOYSA-N 0 0 349.434 2.877 10 10 EFCERN CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1 ZINC001441089080 1391082594 /nfs/dbraw/zinc/08/25/94/1391082594.db2.gz MLJKXHGWXMCNIR-UHFFFAOYSA-N 0 0 331.368 2.711 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)C1CC1 ZINC001446815426 1391611878 /nfs/dbraw/zinc/61/18/78/1391611878.db2.gz LAOBZXCYEJJNGH-JTQLQIEISA-N 0 0 325.792 2.593 10 10 EFCERN CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001450357904 1392582322 /nfs/dbraw/zinc/58/23/22/1392582322.db2.gz XOFQKRAVAHIHAY-UHFFFAOYSA-N 0 0 334.376 2.701 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc2c(cn1)OCCC2 ZINC001451946180 1392855807 /nfs/dbraw/zinc/85/58/07/1392855807.db2.gz CLFPWGJEVXCTBK-UHFFFAOYSA-N 0 0 335.363 2.590 10 10 EFCERN CCOc1ccc(C(=O)CCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001455350725 1394592774 /nfs/dbraw/zinc/59/27/74/1394592774.db2.gz UJHMZWUMRBFSKO-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1cc(O)ccc1O ZINC001455355864 1394593487 /nfs/dbraw/zinc/59/34/87/1394593487.db2.gz UPCDGXNANSLGEG-UHFFFAOYSA-N 0 0 339.395 2.859 10 10 EFCERN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCc1cc(O)ccc1O ZINC001455356648 1394593721 /nfs/dbraw/zinc/59/37/21/1394593721.db2.gz JWECRGRYXHHUDM-INIZCTEOSA-N 0 0 337.379 2.659 10 10 EFCERN CN(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 ZINC001455357097 1394593930 /nfs/dbraw/zinc/59/39/30/1394593930.db2.gz NLMBITRNWVMQLR-INIZCTEOSA-N 0 0 334.803 2.670 10 10 EFCERN Cc1noc2nc(C(C)C)cc(C(=O)NCc3cc(O)ccc3O)c12 ZINC001455356146 1394593978 /nfs/dbraw/zinc/59/39/78/1394593978.db2.gz HKUWNPQZCQCGEJ-UHFFFAOYSA-N 0 0 341.367 2.996 10 10 EFCERN COc1ccc(/C=C(\C)C(=O)NCc2cc(O)ccc2O)cc1F ZINC001455355558 1394593998 /nfs/dbraw/zinc/59/39/98/1394593998.db2.gz CTRNDEXHOOBEOW-YRNVUSSQSA-N 0 0 331.343 2.965 10 10 EFCERN CCc1c(C(=O)NCc2c(O)cccc2O)cnn1C1CCCC1 ZINC001456310510 1394664201 /nfs/dbraw/zinc/66/42/01/1394664201.db2.gz BZLGDOZHGBRUMX-UHFFFAOYSA-N 0 0 329.400 2.902 10 10 EFCERN CC(C)(C)N1C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CC1=O ZINC001456313483 1394665780 /nfs/dbraw/zinc/66/57/80/1394665780.db2.gz XUQHUNUOTBZEDZ-AWEZNQCLSA-N 0 0 340.423 2.809 10 10 EFCERN O=C(CCOc1ccc(Cl)c(F)c1)NCc1c(O)cccc1O ZINC001456315839 1394666188 /nfs/dbraw/zinc/66/61/88/1394666188.db2.gz LQKRQHWNKYAVHH-UHFFFAOYSA-N 0 0 339.750 2.976 10 10 EFCERN CC(C)c1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001456627128 1394734213 /nfs/dbraw/zinc/73/42/13/1394734213.db2.gz PQZOJIRUWSUZSL-UHFFFAOYSA-N 0 0 349.412 2.534 10 10 EFCERN C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1cccc(Cl)c1O ZINC001457038573 1394935315 /nfs/dbraw/zinc/93/53/15/1394935315.db2.gz XGVGRTRKTLHLNQ-ZUZCIYMTSA-N 0 0 337.778 2.966 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)s1 ZINC001457039317 1394935821 /nfs/dbraw/zinc/93/58/21/1394935821.db2.gz WGSZOSBGFXBMPV-UHFFFAOYSA-N 0 0 325.773 2.824 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC001457178854 1395022432 /nfs/dbraw/zinc/02/24/32/1395022432.db2.gz PFYUFJHOUFPKPC-ACCUITESSA-N 0 0 330.409 2.551 10 10 EFCERN Cn1cnc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1 ZINC001457201632 1395028632 /nfs/dbraw/zinc/02/86/32/1395028632.db2.gz YMCHEPIGEBMILM-AATRIKPKSA-N 0 0 325.347 2.529 10 10 EFCERN COC(=O)c1cnc(N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC001458287815 1395438600 /nfs/dbraw/zinc/43/86/00/1395438600.db2.gz QMZRGVNJBRTGRP-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN Cc1cc(CCNc2ncnc3c2nnn3C)c(C)n1-c1ccccc1 ZINC001458516249 1395486695 /nfs/dbraw/zinc/48/66/95/1395486695.db2.gz ZRHDUSBMKGCCEN-UHFFFAOYSA-N 0 0 347.426 2.820 10 10 EFCERN COC(=O)c1cc(OCN(C)C(=O)OCC(C)C)ccc1N(C)C ZINC001459240771 1395767574 /nfs/dbraw/zinc/76/75/74/1395767574.db2.gz QEOTYQKWOKENBV-UHFFFAOYSA-N 0 0 338.404 2.600 10 10 EFCERN CCCCCCNC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001459241024 1395767802 /nfs/dbraw/zinc/76/78/02/1395767802.db2.gz SNVRELYFRDTUBG-UHFFFAOYSA-N 0 0 336.432 2.615 10 10 EFCERN COC(=O)c1cc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1N(C)C ZINC001459244616 1395769811 /nfs/dbraw/zinc/76/98/11/1395769811.db2.gz YAYRSAULFHBFCI-KBPBESRZSA-N 0 0 348.443 2.708 10 10 EFCERN CCN(CC(=O)c1cc(C(=O)OC)[nH]c1C)c1ccc(OC)cc1 ZINC001459707995 1395977508 /nfs/dbraw/zinc/97/75/08/1395977508.db2.gz PNCOUFZICSYKDO-UHFFFAOYSA-N 0 0 330.384 2.828 10 10 EFCERN COc1ccn2c(c1)ncc2C(=O)Nc1c2nonc2ccc1Cl ZINC001459789353 1395983826 /nfs/dbraw/zinc/98/38/26/1395983826.db2.gz QYOMXJHZLNYJNQ-UHFFFAOYSA-N 0 0 343.730 2.785 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@]23CCO[C@@H]2CCCC3)cc1 ZINC001461339290 1396372056 /nfs/dbraw/zinc/37/20/56/1396372056.db2.gz SHEHJAJCROFDSG-UYAOXDASSA-N 0 0 346.471 2.939 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(OC(F)F)cc1 ZINC001463716433 1396515184 /nfs/dbraw/zinc/51/51/84/1396515184.db2.gz GAWZVNNYJXMYEK-UHFFFAOYSA-N 0 0 337.322 2.601 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cc3cc[nH]c(=O)c3s2)cc1 ZINC001463753051 1396518622 /nfs/dbraw/zinc/51/86/22/1396518622.db2.gz PZBCJRXHCKUXSM-UHFFFAOYSA-N 0 0 341.436 2.928 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nnc(C)o2)c1 ZINC001464298956 1396563946 /nfs/dbraw/zinc/56/39/46/1396563946.db2.gz IFRYKGMWSNRRSD-UHFFFAOYSA-N 0 0 338.367 2.528 10 10 EFCERN COC(=O)CCN(CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001464335702 1396565971 /nfs/dbraw/zinc/56/59/71/1396565971.db2.gz UWTTXSYQOIMKGP-UHFFFAOYSA-N 0 0 334.376 2.510 10 10 EFCERN O=Cc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1F ZINC001464362180 1396568620 /nfs/dbraw/zinc/56/86/20/1396568620.db2.gz MQCTZBABCGFIGT-UHFFFAOYSA-N 0 0 328.343 2.727 10 10 EFCERN CCc1nc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001464711543 1396597392 /nfs/dbraw/zinc/59/73/92/1396597392.db2.gz CDPYPNUAZRYSPW-UHFFFAOYSA-N 0 0 331.401 2.840 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)Nc1ccccc1 ZINC001465035038 1396643907 /nfs/dbraw/zinc/64/39/07/1396643907.db2.gz YQELQMVBWBSKKX-NSHDSACASA-N 0 0 339.355 2.606 10 10 EFCERN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001465886252 1396719163 /nfs/dbraw/zinc/71/91/63/1396719163.db2.gz GQKZEUGBOUCLTA-WMLDXEAASA-N 0 0 341.388 2.701 10 10 EFCERN COc1cccc(CC(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC001465981341 1396727760 /nfs/dbraw/zinc/72/77/60/1396727760.db2.gz KIWDBNDMEOGJDK-UHFFFAOYSA-N 0 0 335.787 2.661 10 10 EFCERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1O ZINC001465993673 1396729718 /nfs/dbraw/zinc/72/97/18/1396729718.db2.gz VLMKKKXTZSPJNZ-UHFFFAOYSA-N 0 0 330.340 2.856 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncn3ccc(C)cc23)c1 ZINC001465992779 1396729987 /nfs/dbraw/zinc/72/99/87/1396729987.db2.gz MKZVCIFXVOHQPE-GFCCVEGCSA-N 0 0 325.368 2.848 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3[nH]cnc3c2F)c1 ZINC001465992807 1396730110 /nfs/dbraw/zinc/73/01/10/1396730110.db2.gz MXDIFJYDTJNTIC-VIFPVBQESA-N 0 0 329.331 2.907 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3nc[nH]c(=O)c32)c1 ZINC001465993539 1396730333 /nfs/dbraw/zinc/73/03/33/1396730333.db2.gz SBGYNNYKVLSKED-JTQLQIEISA-N 0 0 339.351 2.541 10 10 EFCERN Cc1cc(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)[nH]n1 ZINC001466439788 1396753093 /nfs/dbraw/zinc/75/30/93/1396753093.db2.gz QMRGWRLTIOXIAY-UHFFFAOYSA-N 0 0 340.387 2.900 10 10 EFCERN C[S@@](=O)Cc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001466747121 1396779930 /nfs/dbraw/zinc/77/99/30/1396779930.db2.gz OHGVQGGVHRQCJJ-HKPHNFCXSA-N 0 0 331.393 2.628 10 10 EFCERN Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001467448435 1396856691 /nfs/dbraw/zinc/85/66/91/1396856691.db2.gz DSUJSKOIDAQRRX-CYBMUJFWSA-N 0 0 340.387 2.602 10 10 EFCERN CC(C)OC(=O)CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467710934 1396887136 /nfs/dbraw/zinc/88/71/36/1396887136.db2.gz VHFWPBDNAFNHMK-LLVKDONJSA-N 0 0 334.376 2.699 10 10 EFCERN COc1ccc(C(=O)NCc2cccc(Br)c2O)o1 ZINC001467764620 1396893853 /nfs/dbraw/zinc/89/38/53/1396893853.db2.gz RZPJALKWIFZXOK-UHFFFAOYSA-N 0 0 326.146 2.686 10 10 EFCERN Cc1ccc(C(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)c(O)c1O ZINC001468306952 1396943486 /nfs/dbraw/zinc/94/34/86/1396943486.db2.gz KKCZERPEVIMWMQ-CQSZACIVSA-N 0 0 335.787 2.865 10 10 EFCERN Cn1ccnc1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001468658311 1396976948 /nfs/dbraw/zinc/97/69/48/1396976948.db2.gz XFYYTQLRQUKNRK-UHFFFAOYSA-N 0 0 346.394 2.701 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(OCC(F)(F)F)c1 ZINC001469159014 1397006572 /nfs/dbraw/zinc/00/65/72/1397006572.db2.gz JEMOXNXVOTZREQ-UHFFFAOYSA-N 0 0 341.285 2.969 10 10 EFCERN Cc1ccnc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001469170231 1397008358 /nfs/dbraw/zinc/00/83/58/1397008358.db2.gz JGUJTYMDXRBJOJ-SECBINFHSA-N 0 0 329.381 2.902 10 10 EFCERN O=C(Cc1ccc(Cl)cn1)NCc1ccc2cccnc2c1O ZINC001469251127 1397015672 /nfs/dbraw/zinc/01/56/72/1397015672.db2.gz XANQRYYSVUDBQM-UHFFFAOYSA-N 0 0 327.771 2.848 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1-c1cccnc1 ZINC001469248596 1397015972 /nfs/dbraw/zinc/01/59/72/1397015972.db2.gz JJMVBUQLADXFEQ-UHFFFAOYSA-N 0 0 345.362 2.656 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(OC(F)F)cn1 ZINC001469249884 1397016108 /nfs/dbraw/zinc/01/61/08/1397016108.db2.gz PNIWLSUUVTVWIX-UHFFFAOYSA-N 0 0 345.305 2.867 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H](C)CC(C)C)CC2)c(OC)c1 ZINC001469495861 1397033428 /nfs/dbraw/zinc/03/34/28/1397033428.db2.gz NGGKBNREFHVXSJ-HNNXBMFYSA-N 0 0 349.475 2.970 10 10 EFCERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC001469538619 1397036173 /nfs/dbraw/zinc/03/61/73/1397036173.db2.gz VGJXSFOTZUEZAY-CUOATXAZSA-N 0 0 326.824 2.904 10 10 EFCERN COC1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001470516966 1397095782 /nfs/dbraw/zinc/09/57/82/1397095782.db2.gz GXNYXBXFGMXMSP-UHFFFAOYSA-N 0 0 331.460 2.997 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H](O)C(C)C ZINC001470556432 1397098044 /nfs/dbraw/zinc/09/80/44/1397098044.db2.gz VALFHLBIUBNQMN-QAPCUYQASA-N 0 0 335.492 2.698 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1 ZINC001470772754 1397120249 /nfs/dbraw/zinc/12/02/49/1397120249.db2.gz MKZUKXWWDVEGNT-RVKKMQEKSA-N 0 0 329.444 2.928 10 10 EFCERN Cc1cc(CNC(=O)Cc2nnc(C3CC3)[nH]2)c(C)n1-c1ccccc1 ZINC001471016896 1397133904 /nfs/dbraw/zinc/13/39/04/1397133904.db2.gz DZNAZSHIRDNFTK-UHFFFAOYSA-N 0 0 349.438 2.949 10 10 EFCERN CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(=O)OC ZINC001471017462 1397134463 /nfs/dbraw/zinc/13/44/63/1397134463.db2.gz KELYPURLWPGQBY-QGZVFWFLSA-N 0 0 328.412 2.910 10 10 EFCERN Cc1cc(CNC(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001471037250 1397135342 /nfs/dbraw/zinc/13/53/42/1397135342.db2.gz LSKFJTDCXCANMN-GOSISDBHSA-N 0 0 327.428 2.760 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1ccccc1O ZINC001471195330 1397149336 /nfs/dbraw/zinc/14/93/36/1397149336.db2.gz WQURCQXKPDPFJT-FZMZJTMJSA-N 0 0 342.420 2.837 10 10 EFCERN C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccccc1O ZINC001471193802 1397149824 /nfs/dbraw/zinc/14/98/24/1397149824.db2.gz KZMSGPKFNYPWDO-SNVBAGLBSA-N 0 0 326.381 2.797 10 10 EFCERN O=C([C@@H](O)c1cccc(Br)c1)N1Cc2cccc(O)c2C1 ZINC001471355335 1397164130 /nfs/dbraw/zinc/16/41/30/1397164130.db2.gz GJEYVMHJFZVGNI-HNNXBMFYSA-N 0 0 348.196 2.731 10 10 EFCERN Cc1nc(-c2ncccn2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC001471355150 1397164467 /nfs/dbraw/zinc/16/44/67/1397164467.db2.gz CCJCBJLDQCLUMA-UHFFFAOYSA-N 0 0 338.392 2.770 10 10 EFCERN O=C(NCc1cnccn1)N(Cc1ccco1)Cc1ccccc1O ZINC001471579661 1397185746 /nfs/dbraw/zinc/18/57/46/1397185746.db2.gz NRWYWADTUJKVEZ-UHFFFAOYSA-N 0 0 338.367 2.687 10 10 EFCERN Cc1nn(CC(=O)NCc2cccc(O)c2O)cc1-c1ccccc1 ZINC001471642200 1397191232 /nfs/dbraw/zinc/19/12/32/1397191232.db2.gz NMVCQTXUXYDOKJ-UHFFFAOYSA-N 0 0 337.379 2.586 10 10 EFCERN COc1ccc(CCCC(=O)NCc2cc(O)ccc2O)cc1OC ZINC001471661910 1397194680 /nfs/dbraw/zinc/19/46/80/1397194680.db2.gz GXOZGJDJGUTTSV-UHFFFAOYSA-N 0 0 345.395 2.754 10 10 EFCERN O=C(NCc1cc(O)ccc1O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001471660990 1397194822 /nfs/dbraw/zinc/19/48/22/1397194822.db2.gz PYJBFTFGIDYVMJ-LBPRGKRZSA-N 0 0 333.771 2.619 10 10 EFCERN O=C(Cc1csc(-c2ccoc2)n1)NCc1cc(O)ccc1O ZINC001471661332 1397194834 /nfs/dbraw/zinc/19/48/34/1397194834.db2.gz NQAIUHMMBYZQKQ-UHFFFAOYSA-N 0 0 330.365 2.673 10 10 EFCERN O=C(Cc1ccccc1Br)NCc1cc(O)ccc1O ZINC001471661345 1397194935 /nfs/dbraw/zinc/19/49/35/1397194935.db2.gz OANACELISWZBCQ-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(OC2CCCC2)nc1 ZINC001471661384 1397195048 /nfs/dbraw/zinc/19/50/48/1397195048.db2.gz QDOILIRNZRWQBH-UHFFFAOYSA-N 0 0 328.368 2.744 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H](O)c1ccc(Cl)cc1F ZINC001471975896 1397229421 /nfs/dbraw/zinc/22/94/21/1397229421.db2.gz LSDUFAJJAAGMPL-AWEZNQCLSA-N 0 0 327.714 2.674 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H](O)c1ccc(Cl)cc1F ZINC001471975897 1397229473 /nfs/dbraw/zinc/22/94/73/1397229473.db2.gz LSDUFAJJAAGMPL-CQSZACIVSA-N 0 0 327.714 2.674 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc2c(cc1Cl)NC(=O)C2 ZINC001471976193 1397229729 /nfs/dbraw/zinc/22/97/29/1397229729.db2.gz SRBWQRHDQSCXQM-UHFFFAOYSA-N 0 0 334.734 2.609 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1Cl ZINC001472063593 1397242114 /nfs/dbraw/zinc/24/21/14/1397242114.db2.gz OBLNRPYWHSDTEO-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CNC(=O)c2ccccc21 ZINC001472084784 1397244511 /nfs/dbraw/zinc/24/45/11/1397244511.db2.gz DEZBEQWSERBPPG-SFHVURJKSA-N 0 0 346.386 2.689 10 10 EFCERN CN(C)c1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC001473734970 1397326368 /nfs/dbraw/zinc/32/63/68/1397326368.db2.gz MGNPOKQKOAZJSL-UHFFFAOYSA-N 0 0 325.456 2.776 10 10 EFCERN O=C(NCc1ccc2c(c1)OC(F)(F)O2)N1Cc2cccc(O)c2C1 ZINC001478865285 1397591981 /nfs/dbraw/zinc/59/19/81/1397591981.db2.gz TXYBKBCBMISQHX-UHFFFAOYSA-N 0 0 348.305 2.939 10 10 EFCERN COc1cccc(CNC(=O)NCc2ccc(O)c(Cl)c2)c1O ZINC001479211610 1397619721 /nfs/dbraw/zinc/61/97/21/1397619721.db2.gz LSLAVTYEWBTCPN-UHFFFAOYSA-N 0 0 336.775 2.759 10 10 EFCERN CC(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508454253 1407472379 /nfs/dbraw/zinc/47/23/79/1407472379.db2.gz ADVSDDQDVTYMLT-VXGBXAGGSA-N 0 0 347.419 2.518 10 10 EFCERN CO[C@@H](C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001503943119 1404515132 /nfs/dbraw/zinc/51/51/32/1404515132.db2.gz ZNDHTSYNKCRUCI-AWEZNQCLSA-N 0 0 332.448 2.854 10 10 EFCERN COC[C@@H](F)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001504604602 1404520553 /nfs/dbraw/zinc/52/05/53/1404520553.db2.gz HMTLOHIUZOMOER-HNNXBMFYSA-N 0 0 348.422 2.872 10 10 EFCERN COC[C@H](F)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001504604603 1404520694 /nfs/dbraw/zinc/52/06/94/1404520694.db2.gz HMTLOHIUZOMOER-OAHLLOKOSA-N 0 0 348.422 2.872 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@@H](C)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001546296752 1405647418 /nfs/dbraw/zinc/64/74/18/1405647418.db2.gz WMTMEIXSOXEMSV-AUUYWEPGSA-N 0 0 326.440 2.866 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCC[C@H]1C ZINC001513796712 1413646365 /nfs/dbraw/zinc/64/63/65/1413646365.db2.gz JRGPAFZWASYMMM-KUHUBIRLSA-N 0 0 344.459 2.734 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@H]1CCCOC1 ZINC001554175854 1415012578 /nfs/dbraw/zinc/01/25/78/1415012578.db2.gz YJMVRCPRKSIJBF-CQSZACIVSA-N 0 0 342.443 2.924 10 10 EFCERN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556204833 1415058765 /nfs/dbraw/zinc/05/87/65/1415058765.db2.gz DVHAJZSVWKSCER-CYBMUJFWSA-N 0 0 346.387 2.795 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](CO)C(C)C ZINC001556507090 1415073247 /nfs/dbraw/zinc/07/32/47/1415073247.db2.gz JEQPEXPWOAZLMT-QGZVFWFLSA-N 0 0 342.439 2.901 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)N1CCc2ccccc21 ZINC001556515680 1415073711 /nfs/dbraw/zinc/07/37/11/1415073711.db2.gz IAWDPJZOKCWLTN-AWEZNQCLSA-N 0 0 345.439 2.945 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nc(-c2cccnc2)cs1 ZINC001556548654 1415075703 /nfs/dbraw/zinc/07/57/03/1415075703.db2.gz DVLXCPAWNYEQGM-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001556722661 1415084244 /nfs/dbraw/zinc/08/42/44/1415084244.db2.gz YMDZBFKRKGYMRT-YHTRPRNISA-N 0 0 347.798 2.956 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(F)cc1Br ZINC001557084677 1415103407 /nfs/dbraw/zinc/10/34/07/1415103407.db2.gz JWJCBOVULHRVRK-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(OC(F)(F)F)cc1 ZINC001557084628 1415103633 /nfs/dbraw/zinc/10/36/33/1415103633.db2.gz HVIPMETWOYYHLI-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN Nc1cc(C(F)(F)F)ccc1C(=O)NCc1ccc(O)cc1O ZINC001557085888 1415104302 /nfs/dbraw/zinc/10/43/02/1415104302.db2.gz ZBQNZQGTAOTQFG-UHFFFAOYSA-N 0 0 326.274 2.629 10 10 EFCERN Cc1ccn2ncc(C(=O)NCc3ccc4cccnc4c3O)c2c1 ZINC001557122381 1415106113 /nfs/dbraw/zinc/10/61/13/1415106113.db2.gz HZVZQWIQMHSJTD-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2cccnc2c1O ZINC001557123564 1415106765 /nfs/dbraw/zinc/10/67/65/1415106765.db2.gz QPDHDAYQQFCNKC-XBXARRHUSA-N 0 0 336.347 2.681 10 10 EFCERN CCCc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(=O)[nH]1 ZINC001557124285 1415107132 /nfs/dbraw/zinc/10/71/32/1415107132.db2.gz YVSQUYJPBGUIGJ-UHFFFAOYSA-N 0 0 337.379 2.924 10 10 EFCERN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001557158645 1415109282 /nfs/dbraw/zinc/10/92/82/1415109282.db2.gz AAZJKDWXCYLFOK-LBPRGKRZSA-N 0 0 334.376 2.699 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1 ZINC001557551169 1415131183 /nfs/dbraw/zinc/13/11/83/1415131183.db2.gz INGQVXQNMRYLSE-AWEZNQCLSA-N 0 0 342.330 2.722 10 10 EFCERN Cc1ccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)c(O)c1O ZINC001557735863 1415141137 /nfs/dbraw/zinc/14/11/37/1415141137.db2.gz OKKDAAQWURZWIT-CQSZACIVSA-N 0 0 326.352 2.610 10 10 EFCERN Cc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2)c(O)c1O ZINC001557896991 1415149937 /nfs/dbraw/zinc/14/99/37/1415149937.db2.gz RKYUQLYNJSVFPU-KRWDZBQOSA-N 0 0 349.390 2.917 10 10 EFCERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 ZINC001558036135 1415156370 /nfs/dbraw/zinc/15/63/70/1415156370.db2.gz UKOXJCNHDHAIEH-UHFFFAOYSA-N 0 0 330.315 2.915 10 10 EFCERN CC(C)C(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001558159442 1415163248 /nfs/dbraw/zinc/16/32/48/1415163248.db2.gz GREJQGTWKUSKOD-UHFFFAOYSA-N 0 0 328.368 2.622 10 10 EFCERN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3cccc(O)c3O)cc2C1 ZINC001558161109 1415163281 /nfs/dbraw/zinc/16/32/81/1415163281.db2.gz GVMDQTKIVUZMMG-LLVKDONJSA-N 0 0 342.395 2.643 10 10 EFCERN O=C(Cc1cccc(Br)c1)NCc1cc(O)ccc1O ZINC001558174005 1415163843 /nfs/dbraw/zinc/16/38/43/1415163843.db2.gz BLFSCNXLTXBISD-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001558175206 1415164720 /nfs/dbraw/zinc/16/47/20/1415164720.db2.gz IBZUZBWTRMHFLR-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1c1ncccn1 ZINC001558181417 1415165166 /nfs/dbraw/zinc/16/51/66/1415165166.db2.gz QVFWCYSEZNYHAZ-OWNNVSBGSA-N 0 0 325.368 2.655 10 10 EFCERN Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCCO3)c(O)c1O ZINC001558402497 1415178352 /nfs/dbraw/zinc/17/83/52/1415178352.db2.gz BSGBSIKHZNWHPJ-UHFFFAOYSA-N 0 0 343.379 2.540 10 10 EFCERN Cc1ccc(C2=NO[C@H](C(=O)NCc3c(O)cccc3F)C2)cc1 ZINC001558457903 1415181059 /nfs/dbraw/zinc/18/10/59/1415181059.db2.gz YVIRXGSGGSWDSI-KRWDZBQOSA-N 0 0 328.343 2.649 10 10 EFCERN CCOc1cccc2c1OCC(C(=O)NCc1c(O)cccc1O)=C2 ZINC001558533238 1415186411 /nfs/dbraw/zinc/18/64/11/1415186411.db2.gz ACRSQSAKQKOZMF-UHFFFAOYSA-N 0 0 341.363 2.589 10 10 EFCERN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NCc1c(O)cccc1O ZINC001558535777 1415187053 /nfs/dbraw/zinc/18/70/53/1415187053.db2.gz NJSAFPBEHZPUOM-ZANVPECISA-N 0 0 333.306 2.604 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558533874 1415187183 /nfs/dbraw/zinc/18/71/83/1415187183.db2.gz MFAYYBWPCKMZPW-FZMZJTMJSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(OC(F)F)c(F)c1 ZINC001558535044 1415187197 /nfs/dbraw/zinc/18/71/97/1415187197.db2.gz CPGLTPOKSIXIJX-UHFFFAOYSA-N 0 0 327.258 2.768 10 10 EFCERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554714 1415188339 /nfs/dbraw/zinc/18/83/39/1415188339.db2.gz UWSDCNCNZFJTGM-UHFFFAOYSA-N 0 0 337.335 2.966 10 10 EFCERN Cn1cnc2ccc(C(=O)NCc3c(O)ccc4ccccc43)nc21 ZINC001558553885 1415188367 /nfs/dbraw/zinc/18/83/67/1415188367.db2.gz DTEXAULGVNOMGY-UHFFFAOYSA-N 0 0 332.363 2.757 10 10 EFCERN Cc1nn(C)c2nc(C)cc(C(=O)NCc3cccc(Cl)c3O)c12 ZINC001558757259 1415199898 /nfs/dbraw/zinc/19/98/98/1415199898.db2.gz WZIRNLNWOOHRRP-UHFFFAOYSA-N 0 0 344.802 2.874 10 10 EFCERN O=C(NCCNc1ccccn1)c1cc2cc(O)c(O)cc2s1 ZINC001558905577 1415210141 /nfs/dbraw/zinc/21/01/41/1415210141.db2.gz IMYLLZWOFLRWDX-UHFFFAOYSA-N 0 0 329.381 2.549 10 10 EFCERN O=C(NCc1ccc(Br)o1)c1c(F)ccc(O)c1O ZINC001558967578 1415215040 /nfs/dbraw/zinc/21/50/40/1415215040.db2.gz JXVQMLSFWATUAN-UHFFFAOYSA-N 0 0 330.109 2.522 10 10 EFCERN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1F ZINC001559085531 1415223509 /nfs/dbraw/zinc/22/35/09/1415223509.db2.gz PGXMJBRAKJJJGZ-UHFFFAOYSA-N 0 0 332.335 2.511 10 10 EFCERN Cc1ccc(O)c(CNc2ncnc3ccc(S(C)(=O)=O)cc32)c1 ZINC001559240532 1415232591 /nfs/dbraw/zinc/23/25/91/1415232591.db2.gz TVCGVTNGRFDMKH-UHFFFAOYSA-N 0 0 343.408 2.659 10 10 EFCERN COc1cccc(CNC(=O)NCc2cc(O)ccc2Cl)c1O ZINC001565276052 1415392364 /nfs/dbraw/zinc/39/23/64/1415392364.db2.gz XBEVVBSRUNIRCI-UHFFFAOYSA-N 0 0 336.775 2.759 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCO[C@H](c3ccco3)C2)cc1 ZINC001566252563 1415536739 /nfs/dbraw/zinc/53/67/39/1415536739.db2.gz QUHAVXAPIKBUKF-AWEZNQCLSA-N 0 0 328.328 2.656 10 10 EFCERN COc1nn(C)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001566302995 1415539454 /nfs/dbraw/zinc/53/94/54/1415539454.db2.gz SXWFWFBGDRDZOP-UHFFFAOYSA-N 0 0 341.367 2.570 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3onc4ccccc43)CC2)cc1 ZINC001566326373 1415540241 /nfs/dbraw/zinc/54/02/41/1415540241.db2.gz JNDUSEZSSNITJS-UHFFFAOYSA-N 0 0 337.379 2.799 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1c(C(F)F)nc2ccccn21 ZINC001566359148 1415542909 /nfs/dbraw/zinc/54/29/09/1415542909.db2.gz VBQZIYPZSDLXBV-UHFFFAOYSA-N 0 0 333.294 2.613 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)c1 ZINC001566374597 1415544185 /nfs/dbraw/zinc/54/41/85/1415544185.db2.gz NPRIPZUIHIQQBE-LLVKDONJSA-N 0 0 340.383 2.620 10 10 EFCERN O=C(NCc1ccccc1O)c1cnc2c(Cl)cccc2c1O ZINC001566373953 1415544287 /nfs/dbraw/zinc/54/42/87/1415544287.db2.gz NRBZKQDZNYZTAT-UHFFFAOYSA-N 0 0 328.755 2.817 10 10 EFCERN COc1cc(NC(C)=O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001566517190 1415606526 /nfs/dbraw/zinc/60/65/26/1415606526.db2.gz URVGPWNCJYTIEF-XBXARRHUSA-N 0 0 342.351 2.717 10 10 EFCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)Cc1ccccc1 ZINC001566618655 1415699130 /nfs/dbraw/zinc/69/91/30/1415699130.db2.gz OZKJEBHPUQPWKK-WBMJQRKESA-N 0 0 340.383 2.571 10 10 EFCERN Nc1cc(F)ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001566686209 1415730350 /nfs/dbraw/zinc/73/03/50/1415730350.db2.gz JYPVAMDGHJIKJC-OAHLLOKOSA-N 0 0 344.386 2.935 10 10 EFCERN CC[C@@H](SC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001566850183 1415798503 /nfs/dbraw/zinc/79/85/03/1415798503.db2.gz YONYGAYLNWLPHU-CYBMUJFWSA-N 0 0 345.848 2.689 10 10 EFCERN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566871227 1415812744 /nfs/dbraw/zinc/81/27/44/1415812744.db2.gz WVVCWEXEQZJOKG-ZMZPIMSZSA-N 0 0 333.359 2.672 10 10 EFCERN Cc1cc(C(=O)N[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1C ZINC001567037533 1415909327 /nfs/dbraw/zinc/90/93/27/1415909327.db2.gz SMSCPEALRVRNMM-SJLPKXTDSA-N 0 0 342.439 2.530 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC001567226563 1416002478 /nfs/dbraw/zinc/00/24/78/1416002478.db2.gz IXQSUTBQYQFIBY-BFHYXJOUSA-N 0 0 328.372 2.536 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1-c1ccccn1 ZINC001567468062 1416149895 /nfs/dbraw/zinc/14/98/95/1416149895.db2.gz YNSWEWSGQRNPFY-CYBMUJFWSA-N 0 0 349.390 2.916 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2ccccc2c1O ZINC001567467561 1416150434 /nfs/dbraw/zinc/15/04/34/1416150434.db2.gz MATOHRPCRJBMIW-LLVKDONJSA-N 0 0 338.363 2.713 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OC)on1 ZINC001568137359 1416422923 /nfs/dbraw/zinc/42/29/23/1416422923.db2.gz OSYVPYPITSHDTD-UHFFFAOYSA-N 0 0 332.356 2.609 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001568137117 1416422963 /nfs/dbraw/zinc/42/29/63/1416422963.db2.gz FCYPFHKHAPSNCE-GOSISDBHSA-N 0 0 343.427 2.858 10 10 EFCERN COC[C@@H]1CCCN1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001645854323 1416574939 /nfs/dbraw/zinc/57/49/39/1416574939.db2.gz HAFBYEWARQSUGI-IBGZPJMESA-N 0 0 341.455 2.779 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(C2N=NC(=S)O2)cc1 ZINC001646033711 1416604078 /nfs/dbraw/zinc/60/40/78/1416604078.db2.gz BZEMYDQLMUTFGY-UHFFFAOYSA-N 0 0 345.355 2.800 10 10 EFCERN CCC[C@H](CCO)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001683424539 1416680870 /nfs/dbraw/zinc/68/08/70/1416680870.db2.gz FDLBEFLCIGFIOI-DOTOQJQBSA-N 0 0 335.492 2.842 10 10 EFCERN C[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccccc1O ZINC001684307580 1416717204 /nfs/dbraw/zinc/71/72/04/1416717204.db2.gz GOPWWXWKPVEURV-CYBMUJFWSA-N 0 0 333.432 2.578 10 10 EFCERN Cc1cc(CNC(=O)N(C)C[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001684478921 1416722049 /nfs/dbraw/zinc/72/20/49/1416722049.db2.gz MVJFBSFGZAOILK-OAHLLOKOSA-N 0 0 329.444 2.925 10 10 EFCERN CC1(C)CO[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001684997896 1416739335 /nfs/dbraw/zinc/73/93/35/1416739335.db2.gz OSDRTBILJYCGPU-AWEZNQCLSA-N 0 0 332.444 2.885 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCCN2CCc3ccccc32)c1 ZINC001685176506 1416753132 /nfs/dbraw/zinc/75/31/32/1416753132.db2.gz UDRCQXRWAXKOQG-UHFFFAOYSA-N 0 0 325.412 2.563 10 10 EFCERN COc1ccc(CNC(=O)NCc2c(F)cccc2OC)c(O)c1 ZINC001685528573 1416766255 /nfs/dbraw/zinc/76/62/55/1416766255.db2.gz UUKLAEZGTKPKGG-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN Cn1nc(CNC(=O)NCc2cccc(Cl)c2O)c2ccccc21 ZINC001686062000 1416787037 /nfs/dbraw/zinc/78/70/37/1416787037.db2.gz CRXBWBFUYXQUMF-UHFFFAOYSA-N 0 0 344.802 2.932 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCOC1(C)C ZINC001686523522 1416801486 /nfs/dbraw/zinc/80/14/86/1416801486.db2.gz CXSCRCLEZODWIW-KRWDZBQOSA-N 0 0 331.460 2.996 10 10 EFCERN Cc1nnc(N2CCC=C(C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001693288848 1417285026 /nfs/dbraw/zinc/28/50/26/1417285026.db2.gz JTFRFCJPVJQZOC-UHFFFAOYSA-N 0 0 329.423 2.996 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)c3c[nH]cc3C)CC2)cc1C ZINC001699671952 1417445366 /nfs/dbraw/zinc/44/53/66/1417445366.db2.gz LYFBAAZODMUPGN-UHFFFAOYSA-N 0 0 327.428 2.692 10 10 EFCERN CCCCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725953337 1425994049 /nfs/dbraw/zinc/99/40/49/1425994049.db2.gz ROJSPBCBQLUEOW-LBPRGKRZSA-N 0 0 347.419 2.616 10 10 EFCERN CCCC(=O)NCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001726293676 1426233265 /nfs/dbraw/zinc/23/32/65/1426233265.db2.gz WGDHDXLKXSRYGZ-LBPRGKRZSA-N 0 0 347.419 2.664 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@H](O)C1 ZINC001727508108 1426301613 /nfs/dbraw/zinc/30/16/13/1426301613.db2.gz AISKUWVDLORSRK-ZBFHGGJFSA-N 0 0 344.459 2.734 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCO[C@H](C)C2)cc1 ZINC001728382585 1426315732 /nfs/dbraw/zinc/31/57/32/1426315732.db2.gz VXQRZUCLMQLGHL-OAHLLOKOSA-N 0 0 343.475 2.706 10 10 EFCERN Cn1ncc(NCc2cc(Br)ccc2O)c(Cl)c1=O ZINC000804828086 713488155 /nfs/dbraw/zinc/48/81/55/713488155.db2.gz HRQVEJIJTINYRM-UHFFFAOYSA-N 0 0 344.596 2.514 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000804689194 713419564 /nfs/dbraw/zinc/41/95/64/713419564.db2.gz XRQMVSOGMBBZLK-MZBZXASESA-N 0 0 326.299 2.872 10 10 EFCERN CCc1onc(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804735516 713455196 /nfs/dbraw/zinc/45/51/96/713455196.db2.gz CCUSPAJXTFISEQ-UHFFFAOYSA-N 0 0 339.189 2.944 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C(=O)c1ccccc1 ZINC000804735394 713455230 /nfs/dbraw/zinc/45/52/30/713455230.db2.gz XGBVYJJCSNFABU-UHFFFAOYSA-N 0 0 334.169 2.654 10 10 EFCERN CC(C)n1cc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804735784 713455467 /nfs/dbraw/zinc/45/54/67/713455467.db2.gz FJQPCBVPVBDXOC-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN CCc1ocnc1C(=O)NCc1cc(Br)ccc1O ZINC000804735826 713455476 /nfs/dbraw/zinc/45/54/76/713455476.db2.gz JMXMNOBTKVYIMB-UHFFFAOYSA-N 0 0 325.162 2.635 10 10 EFCERN COC(=O)CCCCC(=O)NCc1cc(Br)ccc1O ZINC000804735069 713455579 /nfs/dbraw/zinc/45/55/79/713455579.db2.gz KFMAOKHQOAJVEM-UHFFFAOYSA-N 0 0 344.205 2.504 10 10 EFCERN CCCn1cc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804734960 713455680 /nfs/dbraw/zinc/45/56/80/713455680.db2.gz FTFURHWNACWWAF-UHFFFAOYSA-N 0 0 338.205 2.691 10 10 EFCERN CCCc1cc(C(=O)NCc2cc(Br)ccc2O)[nH]n1 ZINC000804734609 713455693 /nfs/dbraw/zinc/45/56/93/713455693.db2.gz SRNMNTLRIITGAE-UHFFFAOYSA-N 0 0 338.205 2.760 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCOCC1 ZINC000804738533 713456376 /nfs/dbraw/zinc/45/63/76/713456376.db2.gz UFEVOMKXWSLAHR-SNVBAGLBSA-N 0 0 328.206 2.588 10 10 EFCERN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738163 713456488 /nfs/dbraw/zinc/45/64/88/713456488.db2.gz FFVKMRWZAGHJBN-TVQRCGJNSA-N 0 0 340.217 2.776 10 10 EFCERN CN(CC(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804738225 713456508 /nfs/dbraw/zinc/45/65/08/713456508.db2.gz HTHQRXXBRIUTBB-UHFFFAOYSA-N 0 0 349.228 2.907 10 10 EFCERN CC(C)CO[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739871 713456657 /nfs/dbraw/zinc/45/66/57/713456657.db2.gz WNABYMNGTLFKQW-SNVBAGLBSA-N 0 0 330.222 2.832 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cnc2ccccn12 ZINC000804739508 713457031 /nfs/dbraw/zinc/45/70/31/713457031.db2.gz HSRSORXQALYTJU-UHFFFAOYSA-N 0 0 346.184 2.732 10 10 EFCERN O=C(/C=C/c1cncc(O)c1)NCc1cc(Br)ccc1O ZINC000804740919 713457053 /nfs/dbraw/zinc/45/70/53/713457053.db2.gz PILYIBNVZLXSIR-DAFODLJHSA-N 0 0 349.184 2.585 10 10 EFCERN Cc1cc(NCc2cc(Br)ccc2O)n2ncnc2n1 ZINC000804828542 713488403 /nfs/dbraw/zinc/48/84/03/713488403.db2.gz RIMGFILXPJBEFY-UHFFFAOYSA-N 0 0 334.177 2.513 10 10 EFCERN COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177239556 717954314 /nfs/dbraw/zinc/95/43/14/717954314.db2.gz SZIMMSYPIHESDV-AWEZNQCLSA-N 0 0 325.792 2.776 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000255225824 714342907 /nfs/dbraw/zinc/34/29/07/714342907.db2.gz APYBQBXSQWMPHL-CLFYSBASSA-N 0 0 341.367 2.855 10 10 EFCERN C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000176339581 715200531 /nfs/dbraw/zinc/20/05/31/715200531.db2.gz GFOHAJCOKUUZDV-LALPHHSUSA-N 0 0 339.386 2.964 10 10 EFCERN Cc1csc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000198582177 715557769 /nfs/dbraw/zinc/55/77/69/715557769.db2.gz ZHEQBTYRVFFLPA-UHFFFAOYSA-N 0 0 326.381 2.945 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCOCC1CC1 ZINC000198909435 715652149 /nfs/dbraw/zinc/65/21/49/715652149.db2.gz UBBRHMVBCPPNKJ-UHFFFAOYSA-N 0 0 327.384 2.797 10 10 EFCERN Cc1nc(C2(NCc3ccc(N4CCOCC4)cc3)CCCC2)no1 ZINC000161367690 715704689 /nfs/dbraw/zinc/70/46/89/715704689.db2.gz HBBBNCZIBLPBFA-UHFFFAOYSA-N 0 0 342.443 2.774 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000066927087 716517238 /nfs/dbraw/zinc/51/72/38/716517238.db2.gz PHRCKZVYUINIMC-ZIAGYGMSSA-N 0 0 337.439 2.991 10 10 EFCERN Cc1cc(C(=O)CN2CCC[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102312 723812826 /nfs/dbraw/zinc/81/28/26/723812826.db2.gz KUDQJPUOEIDCHO-QGZVFWFLSA-N 0 0 330.403 2.873 10 10 EFCERN COc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000179374444 717447006 /nfs/dbraw/zinc/44/70/06/717447006.db2.gz QWQPGCOIZICGQX-UHFFFAOYSA-N 0 0 329.335 2.612 10 10 EFCERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000895862910 724346044 /nfs/dbraw/zinc/34/60/44/724346044.db2.gz KCCJHRAIXUSHDS-RTBURBONSA-N 0 0 346.471 2.877 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cncc(O)c1 ZINC000179457609 717469688 /nfs/dbraw/zinc/46/96/88/717469688.db2.gz RSUMALIDGWIYLO-JXMROGBWSA-N 0 0 325.412 2.915 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)C[C@H](C)O ZINC000304436993 724462412 /nfs/dbraw/zinc/46/24/12/724462412.db2.gz VTFJRLILMKBWFM-LBPRGKRZSA-N 0 0 329.400 2.777 10 10 EFCERN COCCN(Cc1nnc(C)n1C1CC1)c1ccc(OC)c(OC)c1 ZINC000177129866 717887778 /nfs/dbraw/zinc/88/77/78/717887778.db2.gz LGOQQGGGUMKJIE-UHFFFAOYSA-N 0 0 346.431 2.592 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CC1CCOCC1 ZINC000162770793 718364238 /nfs/dbraw/zinc/36/42/38/718364238.db2.gz YOZCBIXDMKBYPQ-UHFFFAOYSA-N 0 0 327.384 2.749 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)c1cc(F)ccc1F ZINC000181133820 718403889 /nfs/dbraw/zinc/40/38/89/718403889.db2.gz LVDFZMROEYOPST-QGZVFWFLSA-N 0 0 334.366 2.963 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000305837823 724553418 /nfs/dbraw/zinc/55/34/18/724553418.db2.gz XUDYYPVBZOMMTA-GDBMZVCRSA-N 0 0 341.411 2.874 10 10 EFCERN O=C(NC1CCCCC1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179923960 719873731 /nfs/dbraw/zinc/87/37/31/719873731.db2.gz UBOZEARGMCXZGS-UHFFFAOYSA-N 0 0 335.423 2.691 10 10 EFCERN CCc1cnccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000182565971 720148742 /nfs/dbraw/zinc/14/87/42/720148742.db2.gz BJKOAOORFAQCKL-UHFFFAOYSA-N 0 0 343.402 2.754 10 10 EFCERN COC(=O)c1c(CN(C)Cc2cnccn2)c2cc(F)ccc2n1C ZINC000893976818 720193488 /nfs/dbraw/zinc/19/34/88/720193488.db2.gz DFOLVVLJAZPSAU-UHFFFAOYSA-N 0 0 342.374 2.526 10 10 EFCERN NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000893978489 720193991 /nfs/dbraw/zinc/19/39/91/720193991.db2.gz UETQVFQGROYSBE-NSHDSACASA-N 0 0 345.212 2.524 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCC(N)=O ZINC000187186857 720499714 /nfs/dbraw/zinc/49/97/14/720499714.db2.gz JKHDMCQMUWYQLE-UHFFFAOYSA-N 0 0 331.460 2.681 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cn3cccnc3n2)cc1F ZINC000066841548 720567046 /nfs/dbraw/zinc/56/70/46/720567046.db2.gz BDXMINUEGXWJOA-UHFFFAOYSA-N 0 0 341.390 2.645 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOCC2(CCC2)C1 ZINC000897390397 724772464 /nfs/dbraw/zinc/77/24/64/724772464.db2.gz ZMLKQRJNXKBNRL-UHFFFAOYSA-N 0 0 333.409 2.955 10 10 EFCERN CC1(C(=O)[O-])CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000232844113 727110613 /nfs/dbraw/zinc/11/06/13/727110613.db2.gz HEJJVERTCQQDLY-UHFFFAOYSA-N 0 0 328.206 2.841 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NC/C=C(/C)C(=O)OC)cc1 ZINC000925033166 722604077 /nfs/dbraw/zinc/60/40/77/722604077.db2.gz KJEFICOYSSQHQZ-QINSGFPZSA-N 0 0 347.459 2.794 10 10 EFCERN CC(C)CCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894592563 722792708 /nfs/dbraw/zinc/79/27/08/722792708.db2.gz KTTNYPJHEQGBDX-UHFFFAOYSA-N 0 0 345.487 2.831 10 10 EFCERN Cc1c(C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])cnn1C ZINC000894594658 722793340 /nfs/dbraw/zinc/79/33/40/722793340.db2.gz BMMNEJHTPLAJFW-UHFFFAOYSA-N 0 0 342.212 2.968 10 10 EFCERN COC(=O)c1cnc(SCC2(S(C)(=O)=O)CCCCC2)s1 ZINC000917777349 728786610 /nfs/dbraw/zinc/78/66/10/728786610.db2.gz FEFPJCSCWDTUEI-UHFFFAOYSA-N 0 0 349.499 2.769 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1C1OCCO1 ZINC000896065561 723117632 /nfs/dbraw/zinc/11/76/32/723117632.db2.gz NFBIGXVSGSUNKH-NSHDSACASA-N 0 0 349.408 2.680 10 10 EFCERN COc1cccc(CNC(=O)C[C@H]2CCc3sccc3C2=O)c1O ZINC000896118493 723138660 /nfs/dbraw/zinc/13/86/60/723138660.db2.gz XZPVRRADQCUCNC-LLVKDONJSA-N 0 0 345.420 2.914 10 10 EFCERN Cc1ccn2ncc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2n1 ZINC000727802440 723151126 /nfs/dbraw/zinc/15/11/26/723151126.db2.gz UNIJMSUZMHEENB-UHFFFAOYSA-N 0 0 349.438 2.958 10 10 EFCERN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071455 723179567 /nfs/dbraw/zinc/17/95/67/723179567.db2.gz ODLKRDVUZVYLJH-UHFFFAOYSA-N 0 0 333.819 2.833 10 10 EFCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]2CCO[C@@H]21 ZINC000896604064 723402926 /nfs/dbraw/zinc/40/29/26/723402926.db2.gz SRAGZQDGBBMQPB-ZWZTZDBGSA-N 0 0 333.409 2.856 10 10 EFCERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000896983471 723932845 /nfs/dbraw/zinc/93/28/45/723932845.db2.gz RLUOUIUZXLVWMO-WDMOLILDSA-N 0 0 333.409 3.000 10 10 EFCERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000896983468 723932867 /nfs/dbraw/zinc/93/28/67/723932867.db2.gz RLUOUIUZXLVWMO-GYSYKLTISA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000727376028 723969729 /nfs/dbraw/zinc/96/97/29/723969729.db2.gz PRAUCCQGQLEBNN-ZWKOTPCHSA-N 0 0 344.455 2.881 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376707 724087468 /nfs/dbraw/zinc/08/74/68/724087468.db2.gz IKRYBXYZENCDTG-STQMWFEESA-N 0 0 348.418 2.554 10 10 EFCERN COC(=O)c1c(CN2CC[C@@H]2C(F)F)c2cc(F)ccc2n1C ZINC000895432164 724129270 /nfs/dbraw/zinc/12/92/70/724129270.db2.gz VZKVOFBFNQUNPZ-CYBMUJFWSA-N 0 0 326.318 2.943 10 10 EFCERN CCN1C[C@@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000897267426 724155458 /nfs/dbraw/zinc/15/54/58/724155458.db2.gz BGYZRSKSGUTVHD-GHMZBOCLSA-N 0 0 334.441 2.867 10 10 EFCERN O=C(NCc1c(O)cccc1F)NC[C@H]1OCCc2ccccc21 ZINC000918440086 728880554 /nfs/dbraw/zinc/88/05/54/728880554.db2.gz MTMGHFHLONRADV-QGZVFWFLSA-N 0 0 330.359 2.645 10 10 EFCERN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895542274 724189088 /nfs/dbraw/zinc/18/90/88/724189088.db2.gz WBKIQPLLIVPMES-JTQLQIEISA-N 0 0 349.408 2.728 10 10 EFCERN CCN(CC)c1ccc(CN[C@H](CC2CCOCC2)C(=O)OC)cc1 ZINC000895588982 724209715 /nfs/dbraw/zinc/20/97/15/724209715.db2.gz CPQAQFHYCSIZAQ-LJQANCHMSA-N 0 0 348.487 2.981 10 10 EFCERN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])O2)[C@H]1C ZINC000895818127 724330736 /nfs/dbraw/zinc/33/07/36/724330736.db2.gz BRMMTLOSIKJUBM-BWCYYRKRSA-N 0 0 327.371 2.733 10 10 EFCERN CCOC(=O)[C@H](C[C@@H]1CCCO1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895864535 724354692 /nfs/dbraw/zinc/35/46/92/724354692.db2.gz PEIOFJTWKZHZJJ-VRUGXOBWSA-N 0 0 346.471 2.856 10 10 EFCERN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000918643005 728905570 /nfs/dbraw/zinc/90/55/70/728905570.db2.gz HVSQMGSMMQQVEM-CQSZACIVSA-N 0 0 344.386 2.868 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CNC(C)=O)s2)c1 ZINC000728982678 724940587 /nfs/dbraw/zinc/94/05/87/724940587.db2.gz ONLOFCHESOZTKP-SNVBAGLBSA-N 0 0 348.424 2.589 10 10 EFCERN COC(=O)c1cc(F)ccc1COC(=O)c1ccc(C)c(O)c1O ZINC000728996304 725002192 /nfs/dbraw/zinc/00/21/92/725002192.db2.gz BCJUCWWCYZPUTM-UHFFFAOYSA-N 0 0 334.299 2.689 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000918736079 728918426 /nfs/dbraw/zinc/91/84/26/728918426.db2.gz PWIVJCXCLPHGPG-IUCKJTJTSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000918745501 728920361 /nfs/dbraw/zinc/92/03/61/728920361.db2.gz MWWQKPVSSBKCBV-WMLDXEAASA-N 0 0 346.358 2.672 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@H]1CCC2(CCC2)O1 ZINC000925456340 728924460 /nfs/dbraw/zinc/92/44/60/728924460.db2.gz LGLVFLCKMFUZAU-HNNXBMFYSA-N 0 0 344.411 2.648 10 10 EFCERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897409226 725432660 /nfs/dbraw/zinc/43/26/60/725432660.db2.gz UNAQQPIEANEDIZ-BXUZGUMPSA-N 0 0 333.409 3.000 10 10 EFCERN COC(=O)[C@](C)(CCF)NCc1ccc(Br)cc1O ZINC000827353042 725589354 /nfs/dbraw/zinc/58/93/54/725589354.db2.gz XFSAPBVPZOXNQP-ZDUSSCGKSA-N 0 0 334.185 2.536 10 10 EFCERN Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC000913663734 725802794 /nfs/dbraw/zinc/80/27/94/725802794.db2.gz QPJNERJZQZGYOI-UHFFFAOYSA-N 0 0 345.830 2.942 10 10 EFCERN Cc1cc(C(=O)NC[C@H](CO)c2ccccc2)c(C)n1-c1ccccn1 ZINC000151685194 725808336 /nfs/dbraw/zinc/80/83/36/725808336.db2.gz QRXVGPUEQNHRHO-GOSISDBHSA-N 0 0 349.434 2.995 10 10 EFCERN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@@H]1CCCO1 ZINC000151743478 725821061 /nfs/dbraw/zinc/82/10/61/725821061.db2.gz CMGVFSNYTKPLMG-HNNXBMFYSA-N 0 0 341.407 2.940 10 10 EFCERN COC(=O)CCc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000913763500 725853246 /nfs/dbraw/zinc/85/32/46/725853246.db2.gz ISAZQBBOPRQMAY-ZDUSSCGKSA-N 0 0 327.380 2.989 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000913927114 725953441 /nfs/dbraw/zinc/95/34/41/725953441.db2.gz VGKLONPYKCQLSL-FUHWJXTLSA-N 0 0 331.460 2.757 10 10 EFCERN CCN(CC)c1ccc(CNC(=S)NC[C@H]2CCCO2)cc1F ZINC000731317614 726840794 /nfs/dbraw/zinc/84/07/94/726840794.db2.gz IHMDGSLMDBOFNH-CQSZACIVSA-N 0 0 339.480 2.815 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC000906993815 726841936 /nfs/dbraw/zinc/84/19/36/726841936.db2.gz JNLWNJWOSWDPBT-GOSISDBHSA-N 0 0 339.395 2.719 10 10 EFCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2ccnc2)cc1 ZINC000915215622 726900508 /nfs/dbraw/zinc/90/05/08/726900508.db2.gz APPJRVRFROBMQO-UHFFFAOYSA-N 0 0 338.411 2.771 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000907276062 726900660 /nfs/dbraw/zinc/90/06/60/726900660.db2.gz YZBZPYVFPAFTOC-DZGCQCFKSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@H]1C1CC1 ZINC000907350226 726920051 /nfs/dbraw/zinc/92/00/51/726920051.db2.gz ADGIRKPSLIPWHL-RDJZCZTQSA-N 0 0 333.409 3.000 10 10 EFCERN Cc1ccccc1C(=O)NC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731869211 726950016 /nfs/dbraw/zinc/95/00/16/726950016.db2.gz CDFRLUBUURDUSS-UHFFFAOYSA-N 0 0 344.436 2.797 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC2([C@@H]3CCCCO3)CC2)cc1F ZINC000915366299 726963868 /nfs/dbraw/zinc/96/38/68/726963868.db2.gz OAUSDBYHRJUUCC-INIZCTEOSA-N 0 0 335.423 2.793 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2CC2CC2)cc1F ZINC000915367059 726964438 /nfs/dbraw/zinc/96/44/38/726964438.db2.gz VDNHIGUQYXFNHJ-OAHLLOKOSA-N 0 0 335.423 2.602 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000915367207 726964641 /nfs/dbraw/zinc/96/46/41/726964641.db2.gz WWZBCAGTTVNLAR-QAPCUYQASA-N 0 0 349.450 2.896 10 10 EFCERN O=C(CC1CCCC1)NC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732290420 727016803 /nfs/dbraw/zinc/01/68/03/727016803.db2.gz PFHCSIVPVLDEEX-UHFFFAOYSA-N 0 0 336.457 2.755 10 10 EFCERN CC[C@H](C)N(CC(=O)OC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907989212 727071726 /nfs/dbraw/zinc/07/17/26/727071726.db2.gz HQRXFJOQNDLPAL-VIFPVBQESA-N 0 0 337.397 2.726 10 10 EFCERN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000915526304 727087367 /nfs/dbraw/zinc/08/73/67/727087367.db2.gz XBHXPUMKPCQOCY-AAEUAGOBSA-N 0 0 332.322 2.691 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCO[C@H]1C1CC1 ZINC000908171441 727113519 /nfs/dbraw/zinc/11/35/19/727113519.db2.gz YBVQWKLNOSINBH-OCCSQVGLSA-N 0 0 340.217 2.586 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnn(C2CC2)c1N ZINC000910559582 727452864 /nfs/dbraw/zinc/45/28/64/727452864.db2.gz WDYIYBSUAGBJAH-CYBMUJFWSA-N 0 0 341.459 2.536 10 10 EFCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952232 727472801 /nfs/dbraw/zinc/47/28/01/727472801.db2.gz UCFCREDLNUDVCS-BZNIZROVSA-N 0 0 340.379 2.622 10 10 EFCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccc(O)cc1O ZINC000910957153 727472961 /nfs/dbraw/zinc/47/29/61/727472961.db2.gz KNZSAAGWVVOPQH-JTQLQIEISA-N 0 0 331.393 2.611 10 10 EFCERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910944044 727474778 /nfs/dbraw/zinc/47/47/78/727474778.db2.gz QPPXGZFHRQFGDB-YOEHRIQHSA-N 0 0 327.380 2.916 10 10 EFCERN Cc1cncc(/C=C\C(=O)N2C[C@H](CO)Cc3cccc(F)c32)c1 ZINC000911690558 727583502 /nfs/dbraw/zinc/58/35/02/727583502.db2.gz QFLDZUKGHDRIOU-IYKSTZQJSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1cncc(/C=C/C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)c1 ZINC000911690560 727583607 /nfs/dbraw/zinc/58/36/07/727583607.db2.gz QFLDZUKGHDRIOU-NFAHFFEMSA-N 0 0 326.371 2.740 10 10 EFCERN O=C(N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1cccc(O)c1O ZINC000911847380 727610731 /nfs/dbraw/zinc/61/07/31/727610731.db2.gz VNCQCFOYTXAQGD-SFHVURJKSA-N 0 0 339.391 2.898 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2c(C)[nH]nc2Cl)cc1 ZINC000911890564 727616594 /nfs/dbraw/zinc/61/65/94/727616594.db2.gz AWOTXQOCACURJT-UHFFFAOYSA-N 0 0 336.823 2.589 10 10 EFCERN COc1ccc(N2CCN(C(=O)COC3CCCCC3)CC2)cc1 ZINC000916032657 727651027 /nfs/dbraw/zinc/65/10/27/727651027.db2.gz DRYIUJHQZPPNNG-UHFFFAOYSA-N 0 0 332.444 2.693 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(=O)C[C@H]1C1CC1 ZINC000912190607 727676963 /nfs/dbraw/zinc/67/69/63/727676963.db2.gz XIBOYZDTTMTOEP-LBPRGKRZSA-N 0 0 331.393 2.896 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000154063045 727697334 /nfs/dbraw/zinc/69/73/34/727697334.db2.gz JSJFCMQBTQAHDJ-SOFGYWHQSA-N 0 0 334.372 2.644 10 10 EFCERN CCOc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000150728434 727712429 /nfs/dbraw/zinc/71/24/29/727712429.db2.gz SYCPCZSTPUGNQS-UHFFFAOYSA-N 0 0 328.368 2.889 10 10 EFCERN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912490060 727715259 /nfs/dbraw/zinc/71/52/59/727715259.db2.gz SAZXVYUBCAJDGY-NSHDSACASA-N 0 0 346.349 2.505 10 10 EFCERN Cc1cc(C(=O)N2CC3CC2(c2ncc[nH]2)C3)c(C)n1-c1ccccn1 ZINC000912963283 727762793 /nfs/dbraw/zinc/76/27/93/727762793.db2.gz PGORVIOHNWGLQJ-UHFFFAOYSA-N 0 0 347.422 2.974 10 10 EFCERN CC(C)CC[C@](C)(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000154288656 727772145 /nfs/dbraw/zinc/77/21/45/727772145.db2.gz WCQSPQKLKBFNON-SFHVURJKSA-N 0 0 339.455 2.878 10 10 EFCERN Cc1cc(C(=O)NCC2(CCO)CCC2)c(C)n1-c1ccccn1 ZINC000154394228 727803084 /nfs/dbraw/zinc/80/30/84/727803084.db2.gz ZGEVTBOJCNWLBI-UHFFFAOYSA-N 0 0 327.428 2.772 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000156688915 727944240 /nfs/dbraw/zinc/94/42/40/727944240.db2.gz LGLAARIUJSUCRK-TZMCWYRMSA-N 0 0 333.334 2.838 10 10 EFCERN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)NC1CCCCC1 ZINC000070975883 727963730 /nfs/dbraw/zinc/96/37/30/727963730.db2.gz PUCAVPIGZCQJPF-GOSISDBHSA-N 0 0 346.471 2.822 10 10 EFCERN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCCC1 ZINC000070975881 727963783 /nfs/dbraw/zinc/96/37/83/727963783.db2.gz PUCAVPIGZCQJPF-SFHVURJKSA-N 0 0 346.471 2.822 10 10 EFCERN Cc1cc(=O)[nH]cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000164699526 727970555 /nfs/dbraw/zinc/97/05/55/727970555.db2.gz JTYOWEFEJWMVRY-UHFFFAOYSA-N 0 0 339.439 2.946 10 10 EFCERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1cccc(Cl)c1 ZINC000057258537 728075692 /nfs/dbraw/zinc/07/56/92/728075692.db2.gz KEPSMESKGDMKNE-UHFFFAOYSA-N 0 0 333.819 2.741 10 10 EFCERN CC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058769474 728224891 /nfs/dbraw/zinc/22/48/91/728224891.db2.gz MJYIKHRAQNRQTI-UHFFFAOYSA-N 0 0 337.423 2.957 10 10 EFCERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000170703153 728467958 /nfs/dbraw/zinc/46/79/58/728467958.db2.gz PNJXFYYURCEEFC-ZDUSSCGKSA-N 0 0 342.395 2.697 10 10 EFCERN Cn1nc2c(c1NC(=O)/C=C/c1ccc3c(c1)CCCN3C)CCC2 ZINC000061193308 728493429 /nfs/dbraw/zinc/49/34/29/728493429.db2.gz ZYGQMQWQWMMRLH-PKNBQFBNSA-N 0 0 336.439 2.943 10 10 EFCERN CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000172478021 728592190 /nfs/dbraw/zinc/59/21/90/728592190.db2.gz DDKCHFYDJNUDEB-MRXNPFEDSA-N 0 0 347.503 2.987 10 10 EFCERN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000172478018 728592291 /nfs/dbraw/zinc/59/22/91/728592291.db2.gz DDKCHFYDJNUDEB-INIZCTEOSA-N 0 0 347.503 2.987 10 10 EFCERN CC(C)[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000172507458 728594028 /nfs/dbraw/zinc/59/40/28/728594028.db2.gz YSTUBBCUNQGSEK-MRXNPFEDSA-N 0 0 333.476 2.957 10 10 EFCERN COc1ccccc1NC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000063616844 728635090 /nfs/dbraw/zinc/63/50/90/728635090.db2.gz IFUJUOGWPOESPJ-UHFFFAOYSA-N 0 0 330.384 2.787 10 10 EFCERN CC[N@@H+]1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000174237954 728655852 /nfs/dbraw/zinc/65/58/52/728655852.db2.gz HCMWRGDLOBDOPH-OAHLLOKOSA-N 0 0 331.460 2.555 10 10 EFCERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174514483 728668392 /nfs/dbraw/zinc/66/83/92/728668392.db2.gz DROZKHRCOGDEOB-UHFFFAOYSA-N 0 0 341.367 2.813 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@]12C[C@H]1COC21CCC1 ZINC000919082064 728969468 /nfs/dbraw/zinc/96/94/68/728969468.db2.gz SVRGYIKBDKHCGI-HNAYVOBHSA-N 0 0 329.444 2.572 10 10 EFCERN Cc1cc(C)n(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c1Cl ZINC000919268139 728993398 /nfs/dbraw/zinc/99/33/98/728993398.db2.gz FEIKEYLQRMFXOS-UHFFFAOYSA-N 0 0 347.846 2.501 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOC[C@@H]1CC1CC1 ZINC000919917698 729110211 /nfs/dbraw/zinc/11/02/11/729110211.db2.gz GJMMOXBZSHFGSH-IBGZPJMESA-N 0 0 341.455 2.773 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOC[C@H]1CC1CC1 ZINC000919917700 729110315 /nfs/dbraw/zinc/11/03/15/729110315.db2.gz GJMMOXBZSHFGSH-LJQANCHMSA-N 0 0 341.455 2.773 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1ncccn1)C1CC1 ZINC000919909189 729110760 /nfs/dbraw/zinc/11/07/60/729110760.db2.gz NWNNSKIFARROPB-SFHVURJKSA-N 0 0 349.438 2.803 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1ncccn1)C1CC1 ZINC000919909187 729111007 /nfs/dbraw/zinc/11/10/07/729111007.db2.gz NWNNSKIFARROPB-GOSISDBHSA-N 0 0 349.438 2.803 10 10 EFCERN C[C@]1(CNC(=O)NCCCSc2nccs2)CCCCO1 ZINC000921447199 729459917 /nfs/dbraw/zinc/45/99/17/729459917.db2.gz AOKKUAWFMMBTOB-CQSZACIVSA-N 0 0 329.491 2.884 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000175503433 729505370 /nfs/dbraw/zinc/50/53/70/729505370.db2.gz BJJLCHQVMIDHGH-UHFFFAOYSA-N 0 0 342.370 2.930 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCN4)CC2)cc1 ZINC000237578132 729557233 /nfs/dbraw/zinc/55/72/33/729557233.db2.gz IMPWYELUJXPVGA-UHFFFAOYSA-N 0 0 337.423 2.626 10 10 EFCERN COCc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000181039750 729775582 /nfs/dbraw/zinc/77/55/82/729775582.db2.gz DRNHWRKOOVVBCZ-UHFFFAOYSA-N 0 0 341.415 2.545 10 10 EFCERN Cc1csc([C@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)n1 ZINC001569812534 1085631475 /nfs/dbraw/zinc/63/14/75/1085631475.db2.gz NIQZKNRCSZSDNY-JTQLQIEISA-N 0 0 332.303 2.896 10 10 EFCERN CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001570462463 1086257601 /nfs/dbraw/zinc/25/76/01/1086257601.db2.gz UVBLXSPMEZEAED-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN Cc1nn(CC(=O)NCc2ccc(O)cc2O)cc1-c1ccccc1 ZINC001570463312 1086258282 /nfs/dbraw/zinc/25/82/82/1086258282.db2.gz MGNGKULHSAMTLT-UHFFFAOYSA-N 0 0 337.379 2.586 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1cccc(C(=O)c2ccco2)c1 ZINC001570463160 1086258898 /nfs/dbraw/zinc/25/88/98/1086258898.db2.gz ICVXJVZPNGIRLO-UHFFFAOYSA-N 0 0 337.331 2.852 10 10 EFCERN Cc1c(N)c(C(=O)NCc2ccc3cccnc3c2O)ccc1F ZINC001570533979 1086323805 /nfs/dbraw/zinc/32/38/05/1086323805.db2.gz ZFXGTQOZWBXBKA-UHFFFAOYSA-N 0 0 325.343 2.900 10 10 EFCERN O=C(C[C@@H]1Cc2ccccc2O1)NCc1ccc2cccnc2c1O ZINC001570533899 1086323841 /nfs/dbraw/zinc/32/38/41/1086323841.db2.gz WCRHPNRVCWYMSF-INIZCTEOSA-N 0 0 334.375 2.950 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ncc2c(F)cccn21 ZINC001570533579 1086324914 /nfs/dbraw/zinc/32/49/14/1086324914.db2.gz ILSJEKKFRDBFLS-UHFFFAOYSA-N 0 0 336.326 2.657 10 10 EFCERN CCCC(C)(C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575394357 1088441419 /nfs/dbraw/zinc/44/14/19/1088441419.db2.gz VCJNEHPXCOKCBE-UHFFFAOYSA-N 0 0 347.419 2.521 10 10 EFCERN Cc1ccn2ncc(C(=O)NCc3c(O)ccc4ccccc43)c2n1 ZINC001647792005 1089879414 /nfs/dbraw/zinc/87/94/14/1089879414.db2.gz ZJCJAISDRLWTEV-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001647791816 1089880726 /nfs/dbraw/zinc/88/07/26/1089880726.db2.gz VQWIERYLILCILG-KDOFPFPSSA-N 0 0 329.396 2.603 10 10 EFCERN CCOC(=O)c1cn(C)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001647882381 1089903353 /nfs/dbraw/zinc/90/33/53/1089903353.db2.gz UKURBHNQUWRJPF-UHFFFAOYSA-N 0 0 343.343 2.617 10 10 EFCERN CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001582556285 1091543123 /nfs/dbraw/zinc/54/31/23/1091543123.db2.gz NFHXUGFJHJQYCH-LBPRGKRZSA-N 0 0 347.419 2.520 10 10 EFCERN O=C(NCc1nc(C2CC2)no1)c1cc2cc(O)c(O)cc2s1 ZINC001583551598 1092034094 /nfs/dbraw/zinc/03/40/94/1092034094.db2.gz YWPLASPDBLJYFU-UHFFFAOYSA-N 0 0 331.353 2.503 10 10 EFCERN O=C(NCCOc1ccccc1Cl)c1c(F)ccc(O)c1O ZINC001648676432 1092252100 /nfs/dbraw/zinc/25/21/00/1092252100.db2.gz MMRWOWQADVPTHO-UHFFFAOYSA-N 0 0 325.723 2.699 10 10 EFCERN CCOC(=O)Cc1cccc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 ZINC001648690667 1092253498 /nfs/dbraw/zinc/25/34/98/1092253498.db2.gz VKSYAXWHIBPJJU-BQYQJAHWSA-N 0 0 340.379 2.569 10 10 EFCERN Cn1cc(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2O)cn1 ZINC001648694174 1092256316 /nfs/dbraw/zinc/25/63/16/1092256316.db2.gz HYVMHRSQQBGAPX-UHFFFAOYSA-N 0 0 341.342 2.567 10 10 EFCERN COc1ccnc(OC)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001585423724 1092482735 /nfs/dbraw/zinc/48/27/35/1092482735.db2.gz KRTNKFUGBXXWDZ-LBPRGKRZSA-N 0 0 329.400 2.656 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)COc2ccsn2)cc1F ZINC001585698606 1092548125 /nfs/dbraw/zinc/54/81/25/1092548125.db2.gz RWSQMKOGFFXTOM-UHFFFAOYSA-N 0 0 337.420 2.824 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000588499261 1092629897 /nfs/dbraw/zinc/62/98/97/1092629897.db2.gz ZZKXXQFOZOKJLS-IZPAUZPXSA-N 0 0 336.388 2.624 10 10 EFCERN CN(C)c1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cs1 ZINC001587323719 1092801169 /nfs/dbraw/zinc/80/11/69/1092801169.db2.gz LSMDJWPMCIHLGG-UHFFFAOYSA-N 0 0 349.437 2.765 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nnc(C2CC2)o1 ZINC001587552155 1092821589 /nfs/dbraw/zinc/82/15/89/1092821589.db2.gz LVJGTVDCAKACRN-UHFFFAOYSA-N 0 0 326.400 2.819 10 10 EFCERN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001587707842 1092843643 /nfs/dbraw/zinc/84/36/43/1092843643.db2.gz HFPQKKVZQWMVBF-UHFFFAOYSA-N 0 0 330.340 2.600 10 10 EFCERN CC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001587829791 1092856682 /nfs/dbraw/zinc/85/66/82/1092856682.db2.gz UETRJQGJCATLPU-UHFFFAOYSA-N 0 0 334.759 2.891 10 10 EFCERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1Cc2cccc(O)c2C1 ZINC001587929305 1092869987 /nfs/dbraw/zinc/86/99/87/1092869987.db2.gz XIPLFVHIABHJDJ-QGZVFWFLSA-N 0 0 326.327 2.567 10 10 EFCERN NC(=O)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1F ZINC001588088514 1092890512 /nfs/dbraw/zinc/89/05/12/1092890512.db2.gz UIUBXNPVUPKMBC-UHFFFAOYSA-N 0 0 346.339 2.803 10 10 EFCERN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000708132083 1093129259 /nfs/dbraw/zinc/12/92/59/1093129259.db2.gz AQLOOWPUAUQYQH-WCBMZHEXSA-N 0 0 333.657 2.835 10 10 EFCERN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c(F)ccc(O)c1O ZINC001650971608 1093514592 /nfs/dbraw/zinc/51/45/92/1093514592.db2.gz LCRJBGDNHWJPHY-WRWORJQWSA-N 0 0 341.260 2.940 10 10 EFCERN COc1ccc(S[C@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651223132 1093540480 /nfs/dbraw/zinc/54/04/80/1093540480.db2.gz XKLTZJYHXHPCMJ-LLVKDONJSA-N 0 0 333.409 2.903 10 10 EFCERN CCCOc1ccc(OCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001651223201 1093540613 /nfs/dbraw/zinc/54/06/13/1093540613.db2.gz ZIVGYWCMNBFYKI-UHFFFAOYSA-N 0 0 331.368 2.582 10 10 EFCERN Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OC(F)(F)F ZINC001651225567 1093542785 /nfs/dbraw/zinc/54/27/85/1093542785.db2.gz OYONQLHJZPGVLI-UHFFFAOYSA-N 0 0 342.273 2.509 10 10 EFCERN CCn1ncc(C(=O)NCc2cccc(O)c2O)c1-c1ccccc1 ZINC001593738946 1094409974 /nfs/dbraw/zinc/40/99/74/1094409974.db2.gz CGJHSZBGBCRJEG-UHFFFAOYSA-N 0 0 337.379 2.911 10 10 EFCERN CC(C)NC(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593872918 1094412194 /nfs/dbraw/zinc/41/21/94/1094412194.db2.gz GNIJWYPBUNZEJG-UHFFFAOYSA-N 0 0 343.383 2.558 10 10 EFCERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccc1 ZINC001593873259 1094412799 /nfs/dbraw/zinc/41/27/99/1094412799.db2.gz NAKVWTZOAGEQSR-UHFFFAOYSA-N 0 0 337.379 2.776 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1=C(c2ccccc2)SCCO1 ZINC001593881239 1094413740 /nfs/dbraw/zinc/41/37/40/1094413740.db2.gz HRYAICQKTKFJIF-UHFFFAOYSA-N 0 0 343.404 2.846 10 10 EFCERN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3cc(O)ccc3O)cc2C1 ZINC001593882373 1094413946 /nfs/dbraw/zinc/41/39/46/1094413946.db2.gz UHHJSLAZSXTJFE-NSHDSACASA-N 0 0 342.395 2.643 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)nc1 ZINC001594629870 1094432731 /nfs/dbraw/zinc/43/27/31/1094432731.db2.gz NBMMTVPIZMUVQJ-SECBINFHSA-N 0 0 340.301 2.932 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001595595645 1094478939 /nfs/dbraw/zinc/47/89/39/1094478939.db2.gz IQMBLBVFVPGDPW-UHFFFAOYSA-N 0 0 336.347 2.587 10 10 EFCERN Cc1oc(Br)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595752931 1094490964 /nfs/dbraw/zinc/49/09/64/1094490964.db2.gz UUWQMIAFZHHRQQ-UHFFFAOYSA-N 0 0 340.173 2.734 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2cccc(OC)n2)cc1 ZINC001596578925 1094537721 /nfs/dbraw/zinc/53/77/21/1094537721.db2.gz UQAGHSAUGGKNNY-UHFFFAOYSA-N 0 0 327.428 2.795 10 10 EFCERN CSc1nc(C(C)C)nc(C)c1C(=O)NCc1c(O)cccc1O ZINC001597569488 1094600013 /nfs/dbraw/zinc/60/00/13/1094600013.db2.gz PFKATLBUSZMPTB-UHFFFAOYSA-N 0 0 347.440 2.972 10 10 EFCERN O=C(Cc1cccc(C(F)(F)F)c1)NCc1c(O)cccc1O ZINC001597569277 1094600142 /nfs/dbraw/zinc/60/01/42/1094600142.db2.gz NCINZDKVENOPIB-UHFFFAOYSA-N 0 0 325.286 2.976 10 10 EFCERN CN(C)c1ccc(C2(C(=O)NCc3c(O)cccc3O)CC2)cc1 ZINC001597574750 1094602373 /nfs/dbraw/zinc/60/23/73/1094602373.db2.gz RTPMGBJFOMMXKO-UHFFFAOYSA-N 0 0 326.396 2.512 10 10 EFCERN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2c(O)cccc2O)c1 ZINC001597574538 1094602742 /nfs/dbraw/zinc/60/27/42/1094602742.db2.gz PHKAPYIXSYVNTE-UHFFFAOYSA-N 0 0 334.759 2.640 10 10 EFCERN Cc1nnc2ccc(C(=O)NCc3c(O)ccc4ccccc43)cn12 ZINC001597736951 1094619192 /nfs/dbraw/zinc/61/91/92/1094619192.db2.gz PVSKIADUMWXAHO-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000782967402 1094619697 /nfs/dbraw/zinc/61/96/97/1094619697.db2.gz PLHGKVDCWCFYBP-IQCBXXCUSA-N 0 0 334.372 2.786 10 10 EFCERN C[C@H](NC(=O)c1cccc(O)c1F)c1ccc(N2CCOCC2)cc1 ZINC001597916045 1094640536 /nfs/dbraw/zinc/64/05/36/1094640536.db2.gz XVVWIOKSKBHKJY-ZDUSSCGKSA-N 0 0 344.386 2.859 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC001625888522 1094923666 /nfs/dbraw/zinc/92/36/66/1094923666.db2.gz AUPPFSFOOAVJCG-UHFFFAOYSA-N 0 0 345.305 2.947 10 10 EFCERN CCCCCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267672234 1095402227 /nfs/dbraw/zinc/40/22/27/1095402227.db2.gz SHJWSZIJXLXLEC-UHFFFAOYSA-N 0 0 331.420 2.843 10 10 EFCERN COc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000782841940 1096117991 /nfs/dbraw/zinc/11/79/91/1096117991.db2.gz XUSNAHOAVLYZHY-UHFFFAOYSA-N 0 0 345.447 2.937 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCc1c[nH]c2cc(F)ccc12 ZINC001626185714 1097210984 /nfs/dbraw/zinc/21/09/84/1097210984.db2.gz XWMIIQHMCKLTEZ-UHFFFAOYSA-N 0 0 328.343 2.620 10 10 EFCERN C[C@@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001269588378 1098269763 /nfs/dbraw/zinc/26/97/63/1098269763.db2.gz QSABJPPQTRHWCW-UHOFOFEASA-N 0 0 347.459 2.843 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCCc3cc(F)ccc32)cc1 ZINC001167749808 1098774121 /nfs/dbraw/zinc/77/41/21/1098774121.db2.gz LLZCPZDTFVXPAW-UHFFFAOYSA-N 0 0 341.430 2.961 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc(C(C)(C)C)s1 ZINC001611432258 1099009894 /nfs/dbraw/zinc/00/98/94/1099009894.db2.gz YXLXTFLWIHAGOM-VIFPVBQESA-N 0 0 335.429 2.608 10 10 EFCERN COc1ccc(N2CCN(Cc3cccc4c3OCO4)CC2)cc1 ZINC000008675513 1099025922 /nfs/dbraw/zinc/02/59/22/1099025922.db2.gz VFGMFCJNHDSJDL-UHFFFAOYSA-N 0 0 326.396 2.746 10 10 EFCERN Cc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001612616337 1099072664 /nfs/dbraw/zinc/07/26/64/1099072664.db2.gz GRTGJEVELWKSEO-ABAIWWIYSA-N 0 0 335.402 2.634 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC[C@H]1C ZINC001613923173 1099112075 /nfs/dbraw/zinc/11/20/75/1099112075.db2.gz IHRUUEWCEQZSIV-CABCVRRESA-N 0 0 344.459 2.855 10 10 EFCERN CC(=O)Nc1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001615031276 1099150815 /nfs/dbraw/zinc/15/08/15/1099150815.db2.gz BXVHFAQURJZMAX-UHFFFAOYSA-N 0 0 334.759 2.891 10 10 EFCERN COC(=O)CN(CCC(F)(F)F)Cc1ccc(N(C)C)c(C)c1 ZINC001615846774 1099165273 /nfs/dbraw/zinc/16/52/73/1099165273.db2.gz OBEJLYQUMGRTLI-UHFFFAOYSA-N 0 0 332.366 2.988 10 10 EFCERN CCOCc1nnc(N(CC)CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001616712782 1099190754 /nfs/dbraw/zinc/19/07/54/1099190754.db2.gz ONTJCWQVRBMGBX-UHFFFAOYSA-N 0 0 349.454 2.914 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001616892203 1099200221 /nfs/dbraw/zinc/20/02/21/1099200221.db2.gz OXPXAAKZAQDPTD-VQIMIIECSA-N 0 0 332.444 2.680 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CCc2cc(C)n[nH]2)cc1F ZINC001616924006 1099201685 /nfs/dbraw/zinc/20/16/85/1099201685.db2.gz CZUJENNQXCKBCB-UHFFFAOYSA-N 0 0 332.423 2.952 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2nc[nH]c(=O)c21 ZINC001617047471 1099209023 /nfs/dbraw/zinc/20/90/23/1099209023.db2.gz MOLCUBRLLQDNAM-UHFFFAOYSA-N 0 0 336.395 2.640 10 10 EFCERN COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001618226218 1099286690 /nfs/dbraw/zinc/28/66/90/1099286690.db2.gz AYFHQMPITXGRAO-AWEZNQCLSA-N 0 0 335.787 2.798 10 10 EFCERN COC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCCC1 ZINC001619049510 1099326555 /nfs/dbraw/zinc/32/65/55/1099326555.db2.gz MPDKKKQTZYXEQL-UHFFFAOYSA-N 0 0 330.432 2.888 10 10 EFCERN CO[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001619495182 1099331134 /nfs/dbraw/zinc/33/11/34/1099331134.db2.gz SAINRRPCWYUEEN-SFHVURJKSA-N 0 0 343.475 2.624 10 10 EFCERN CON(C)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001620117315 1099343103 /nfs/dbraw/zinc/34/31/03/1099343103.db2.gz ZNGXIIGDLPXRNX-UHFFFAOYSA-N 0 0 331.464 2.996 10 10 EFCERN Cn1ccnc1CNc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC001622772764 1099542547 /nfs/dbraw/zinc/54/25/47/1099542547.db2.gz GATQDVYFFUXNQB-UHFFFAOYSA-N 0 0 336.395 2.668 10 10 EFCERN COC(=O)Nc1ccc(C(=O)NCc2cccc(OC)c2O)c(C)c1 ZINC001622779949 1099542573 /nfs/dbraw/zinc/54/25/73/1099542573.db2.gz ZBQTZDKUWAKORH-UHFFFAOYSA-N 0 0 344.367 2.818 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc3cc[nH]c(=O)c3s2)cc1 ZINC001623316165 1099574490 /nfs/dbraw/zinc/57/44/90/1099574490.db2.gz OMZKROSLGMYDEQ-UHFFFAOYSA-N 0 0 327.409 2.586 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ncc3c(F)cccn32)cc1 ZINC001623386327 1099581446 /nfs/dbraw/zinc/58/14/46/1099581446.db2.gz DAZJMQQWFTZTDH-UHFFFAOYSA-N 0 0 326.375 2.812 10 10 EFCERN Cc1cnc2c(c1)N(C(=O)/C=C\c1ccc(Cl)nc1)CCN2C ZINC001623520270 1099597304 /nfs/dbraw/zinc/59/73/04/1099597304.db2.gz SGIGGSDIPBCBDA-XQRVVYSFSA-N 0 0 328.803 2.935 10 10 EFCERN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001623924557 1099640850 /nfs/dbraw/zinc/64/08/50/1099640850.db2.gz JGIHYBDBTIRRQF-ZMZPIMSZSA-N 0 0 333.359 2.672 10 10 EFCERN C[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629751 1099713999 /nfs/dbraw/zinc/71/39/99/1099713999.db2.gz BJCZOVDDCWRSDD-HNNXBMFYSA-N 0 0 326.444 2.847 10 10 EFCERN Cn1c(NC(=O)c2cc3cc(O)c(O)cc3s2)nc2cccnc21 ZINC001624766331 1099728920 /nfs/dbraw/zinc/72/89/20/1099728920.db2.gz XSQIXLZDFCDTSI-UHFFFAOYSA-N 0 0 340.364 2.847 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC001624851774 1099738672 /nfs/dbraw/zinc/73/86/72/1099738672.db2.gz MVIHLFAXOJRWMN-UHFFFAOYSA-N 0 0 348.366 2.965 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc2ccc(F)cc21 ZINC001624954157 1099753492 /nfs/dbraw/zinc/75/34/92/1099753492.db2.gz FAAVJCRQVCSFNH-GFCCVEGCSA-N 0 0 342.370 2.939 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2ccccn2)cc1 ZINC001624998035 1099760166 /nfs/dbraw/zinc/76/01/66/1099760166.db2.gz KGFRPVBUJSPFTJ-IBGZPJMESA-N 0 0 335.407 2.953 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2c[nH]nc2C)c1 ZINC001625361107 1099799410 /nfs/dbraw/zinc/79/94/10/1099799410.db2.gz GIOBRDIFQFMSKV-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN COC(CCCC(C)(C)CNC(=O)Cc1ccc(O)c(O)c1)OC ZINC001625611640 1099831947 /nfs/dbraw/zinc/83/19/47/1099831947.db2.gz OVDUAIWJEWHBAK-UHFFFAOYSA-N 0 0 339.432 2.572 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cnn(C)c2)c1 ZINC001625617271 1099832428 /nfs/dbraw/zinc/83/24/28/1099832428.db2.gz ZAYVXFJAWKFUET-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001625632245 1099834891 /nfs/dbraw/zinc/83/48/91/1099834891.db2.gz DPODSKJRLIBAPJ-CYBMUJFWSA-N 0 0 333.771 2.934 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccnc2)c(F)c1 ZINC001626266164 1099857182 /nfs/dbraw/zinc/85/71/82/1099857182.db2.gz MNQMXPDJHFVPIK-UHFFFAOYSA-N 0 0 327.315 2.604 10 10 EFCERN CNC(=O)c1cccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC001626356294 1099864075 /nfs/dbraw/zinc/86/40/75/1099864075.db2.gz YIPJFHPNOSPQCQ-CLFYSBASSA-N 0 0 329.787 2.771 10 10 EFCERN COc1ccc(N2CCC(NC(=O)c3cccc(F)c3N)CC2)cc1 ZINC001626479314 1099879623 /nfs/dbraw/zinc/87/96/23/1099879623.db2.gz GBVLBEHFXULXHB-UHFFFAOYSA-N 0 0 343.402 2.815 10 10 EFCERN O=C(NCc1ccc(O)cc1O)C1(c2ccnc3ccccc32)CC1 ZINC001626847419 1099926438 /nfs/dbraw/zinc/92/64/38/1099926438.db2.gz ASQRYIBCTKMFCR-UHFFFAOYSA-N 0 0 334.375 2.994 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1cccnc1 ZINC001627026398 1099948930 /nfs/dbraw/zinc/94/89/30/1099948930.db2.gz HBKNWVJRLZEFGV-UHFFFAOYSA-N 0 0 343.383 2.593 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1CCOC2 ZINC001627073764 1099953869 /nfs/dbraw/zinc/95/38/69/1099953869.db2.gz SVZAAJXJWPUZSP-UHFFFAOYSA-N 0 0 334.375 2.943 10 10 EFCERN COc1c(C(=O)NCc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] ZINC001628667032 1100122435 /nfs/dbraw/zinc/12/24/35/1100122435.db2.gz OJKNRYFFJIHAHF-UHFFFAOYSA-N 0 0 336.731 2.892 10 10 EFCERN NC(=O)c1ccccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001628764301 1100132710 /nfs/dbraw/zinc/13/27/10/1100132710.db2.gz ZMNLUDYRAQGONN-UHFFFAOYSA-N 0 0 328.349 2.664 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](C(=O)OC)C2)cc1 ZINC001628857593 1100142758 /nfs/dbraw/zinc/14/27/58/1100142758.db2.gz DTNAQKZIFHLLCM-IYBDPMFKSA-N 0 0 332.444 2.690 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(O)CCSCC1 ZINC001628950775 1100151924 /nfs/dbraw/zinc/15/19/24/1100151924.db2.gz KSZBMBYERWWPGQ-UHFFFAOYSA-N 0 0 334.485 2.503 10 10 EFCERN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC001629059716 1100165769 /nfs/dbraw/zinc/16/57/69/1100165769.db2.gz WRZRLSKAHKZHOL-KRWDZBQOSA-N 0 0 340.423 2.768 10 10 EFCERN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)n(Cc2ccccn2)n1 ZINC001629281914 1100189928 /nfs/dbraw/zinc/18/99/28/1100189928.db2.gz NENGUPVEPSBHHK-UHFFFAOYSA-N 0 0 338.367 2.607 10 10 EFCERN COC(=O)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001629310348 1100195129 /nfs/dbraw/zinc/19/51/29/1100195129.db2.gz KRMZKEJBRCGLPL-UHFFFAOYSA-N 0 0 340.339 2.817 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC001629955125 1100262535 /nfs/dbraw/zinc/26/25/35/1100262535.db2.gz ULONFLCUTNQCHI-UHFFFAOYSA-N 0 0 326.274 2.784 10 10 EFCERN COc1cccc(CC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC001630278857 1100290098 /nfs/dbraw/zinc/29/00/98/1100290098.db2.gz YMKOUNUIBGWSSD-UHFFFAOYSA-N 0 0 326.396 2.534 10 10 EFCERN COc1cc2cc(C(=O)NCc3ccc(O)cc3O)[nH]c2cc1OC ZINC001630301527 1100291337 /nfs/dbraw/zinc/29/13/37/1100291337.db2.gz DNYDIXCTRNONQS-UHFFFAOYSA-N 0 0 342.351 2.526 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c2c(n1)onc2C(C)C ZINC001630302134 1100292282 /nfs/dbraw/zinc/29/22/82/1100292282.db2.gz RTSABHPGRGMKOD-UHFFFAOYSA-N 0 0 341.367 2.996 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001630363288 1100298342 /nfs/dbraw/zinc/29/83/42/1100298342.db2.gz MLFDKNCRKKKBJT-HNNXBMFYSA-N 0 0 348.761 2.994 10 10 EFCERN COc1cccc(CNC(=O)c2c(C)nc(C3CC3)[nH]c2=S)c1O ZINC001630366462 1100298555 /nfs/dbraw/zinc/29/85/55/1100298555.db2.gz QMWKEMVDPAFETJ-UHFFFAOYSA-N 0 0 345.424 2.595 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3cc(C)ccc3n2)c1 ZINC001630365861 1100298872 /nfs/dbraw/zinc/29/88/72/1100298872.db2.gz GIALJXZQDHWBKX-LBPRGKRZSA-N 0 0 325.368 2.848 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1F ZINC001630480825 1100309861 /nfs/dbraw/zinc/30/98/61/1100309861.db2.gz IVCZXSVFLVJFKC-UHFFFAOYSA-N 0 0 349.333 2.876 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1-c1ccoc1 ZINC001630531919 1100313472 /nfs/dbraw/zinc/31/34/72/1100313472.db2.gz FDDMHLSRFZVEGR-UHFFFAOYSA-N 0 0 334.335 2.854 10 10 EFCERN CC(C)c1nc([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)no1 ZINC001630517164 1100314368 /nfs/dbraw/zinc/31/43/68/1100314368.db2.gz YYLFUDNCUILWKN-CYBMUJFWSA-N 0 0 345.399 2.901 10 10 EFCERN COCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001630554352 1100316557 /nfs/dbraw/zinc/31/65/57/1100316557.db2.gz BPUDELHANKXQJM-UHFFFAOYSA-N 0 0 331.368 2.613 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2oc(=O)[nH]c21 ZINC001630737984 1100334706 /nfs/dbraw/zinc/33/47/06/1100334706.db2.gz IOMGSXSKSTXSNU-UHFFFAOYSA-N 0 0 339.351 2.622 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)c2ncon2)c1 ZINC001630803272 1100341514 /nfs/dbraw/zinc/34/15/14/1100341514.db2.gz GJPNPTHKXNKLEB-GFCCVEGCSA-N 0 0 338.367 2.781 10 10 EFCERN COc1ccc(C[C@@H]2CCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001630861494 1100346810 /nfs/dbraw/zinc/34/68/10/1100346810.db2.gz KBJLFITUUOOTQE-GEZBDVBVSA-N 0 0 339.391 2.963 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cccc(O)c3F)CC2)cc1 ZINC001630992849 1100359086 /nfs/dbraw/zinc/35/90/86/1100359086.db2.gz ZFEOHUBZIFAGOS-UHFFFAOYSA-N 0 0 344.386 2.892 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1c(OC)nsc1OC ZINC001631159414 1100375592 /nfs/dbraw/zinc/37/55/92/1100375592.db2.gz NTXPAQTVFOBBOH-UHFFFAOYSA-N 0 0 336.413 2.918 10 10 EFCERN CC(C)Oc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccn1 ZINC001631194414 1100379104 /nfs/dbraw/zinc/37/91/04/1100379104.db2.gz DNSOMAFYYOBPFA-UHFFFAOYSA-N 0 0 341.371 2.961 10 10 EFCERN Cc1cc(CCNC(=O)[C@@H](O)C2CCC2)c(C)n1-c1ccccc1 ZINC001631356239 1100391165 /nfs/dbraw/zinc/39/11/65/1100391165.db2.gz GCYVUBUGXOXWPZ-IBGZPJMESA-N 0 0 326.440 2.914 10 10 EFCERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001631596251 1100412206 /nfs/dbraw/zinc/41/22/06/1100412206.db2.gz KYGJYBDWVDBPIO-UHFFFAOYSA-N 0 0 325.286 2.716 10 10 EFCERN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631646878 1100415592 /nfs/dbraw/zinc/41/55/92/1100415592.db2.gz JGFLKLNDAUNATM-DYVFJYSZSA-N 0 0 346.387 2.701 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H](C)c3ccccn3)CC2)cc1 ZINC001632045096 1100449277 /nfs/dbraw/zinc/44/92/77/1100449277.db2.gz WPMWGRSULKRULT-OAHLLOKOSA-N 0 0 339.439 2.979 10 10 EFCERN C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001632227885 1100460593 /nfs/dbraw/zinc/46/05/93/1100460593.db2.gz ILLWIEIMMHNRAT-NSHDSACASA-N 0 0 335.787 2.622 10 10 EFCERN Cc1cccc([C@@H](CC(=O)N[C@@H](C)c2ccccc2O)NC(N)=O)c1 ZINC001632250027 1100462934 /nfs/dbraw/zinc/46/29/34/1100462934.db2.gz IKUMLTPJWGPXDB-XJKSGUPXSA-N 0 0 341.411 2.678 10 10 EFCERN COc1ccc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001632699570 1100493859 /nfs/dbraw/zinc/49/38/59/1100493859.db2.gz FNYFLFABMSBIEH-UHFFFAOYSA-N 0 0 344.392 2.988 10 10 EFCERN COCc1csc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001633038026 1100517945 /nfs/dbraw/zinc/51/79/45/1100517945.db2.gz OVUCXMQYTMGZKX-UHFFFAOYSA-N 0 0 332.385 2.987 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)cc1 ZINC001633073084 1100520345 /nfs/dbraw/zinc/52/03/45/1100520345.db2.gz OXOWTSIQHVWERD-UHFFFAOYSA-N 0 0 338.323 2.953 10 10 EFCERN C[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001633270411 1100532593 /nfs/dbraw/zinc/53/25/93/1100532593.db2.gz LVSCEXYGCBYZSZ-QGZVFWFLSA-N 0 0 344.346 2.626 10 10 EFCERN COC[C@H]1CCCN1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001633325084 1100536554 /nfs/dbraw/zinc/53/65/54/1100536554.db2.gz SFLROMQKPVNPKG-QGZVFWFLSA-N 0 0 345.418 2.989 10 10 EFCERN C[C@H](C(=O)NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1F ZINC001633515594 1100546690 /nfs/dbraw/zinc/54/66/90/1100546690.db2.gz HWIAGKSFVPYDCX-VIFPVBQESA-N 0 0 334.303 2.565 10 10 EFCERN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1cc(O)ccc1O ZINC001633595493 1100552865 /nfs/dbraw/zinc/55/28/65/1100552865.db2.gz YVVCXGHGJKFYSA-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN CC(C)c1noc2ncc(C(=O)NCc3cc(O)ccc3O)cc21 ZINC001633595157 1100553131 /nfs/dbraw/zinc/55/31/31/1100553131.db2.gz KMZCUBNBJFWYQY-UHFFFAOYSA-N 0 0 327.340 2.687 10 10 EFCERN C[C@H](C(=O)NCc1cc(O)ccc1O)[C@@H]1OCCc2sccc21 ZINC001633599246 1100553926 /nfs/dbraw/zinc/55/39/26/1100553926.db2.gz UUFHTUMFLMHZIT-QFYYESIMSA-N 0 0 333.409 2.726 10 10 EFCERN O=C(N[C@@H](CCO)c1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001633612525 1100554485 /nfs/dbraw/zinc/55/44/85/1100554485.db2.gz GJHWAPNUFJABAD-JTQLQIEISA-N 0 0 333.365 2.759 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@H]1c1ccccc1 ZINC001633708364 1100560388 /nfs/dbraw/zinc/56/03/88/1100560388.db2.gz CQLMVTFEIVRQJF-HNNXBMFYSA-N 0 0 329.421 2.957 10 10 EFCERN CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccnn1C ZINC001634111857 1100585879 /nfs/dbraw/zinc/58/58/79/1100585879.db2.gz VFHSQYFOQWJJPO-CQSZACIVSA-N 0 0 342.403 2.752 10 10 EFCERN CC(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccnn1C ZINC001634111856 1100585907 /nfs/dbraw/zinc/58/59/07/1100585907.db2.gz VFHSQYFOQWJJPO-AWEZNQCLSA-N 0 0 342.403 2.752 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001634160654 1100588479 /nfs/dbraw/zinc/58/84/79/1100588479.db2.gz SMTUSQDBZSJDSC-GXFFZTMASA-N 0 0 337.297 2.730 10 10 EFCERN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 ZINC001634362717 1100602482 /nfs/dbraw/zinc/60/24/82/1100602482.db2.gz CJYNFQCEADOXBN-OALUTQOASA-N 0 0 329.396 2.515 10 10 EFCERN C[C@@H](NC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC001634435800 1100608026 /nfs/dbraw/zinc/60/80/26/1100608026.db2.gz RMXZVUBRJWLFBQ-XOKHGSTOSA-N 0 0 331.460 2.880 10 10 EFCERN O=C(NCc1ccc(Br)o1)N1Cc2cccc(O)c2C1 ZINC001634460596 1100608991 /nfs/dbraw/zinc/60/89/91/1100608991.db2.gz HPAPGWYVVJBRHY-UHFFFAOYSA-N 0 0 337.173 2.973 10 10 EFCERN Cc1c(C(=O)NCc2c(O)cccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001635360512 1100656533 /nfs/dbraw/zinc/65/65/33/1100656533.db2.gz NRPNCEVOAACMIN-UHFFFAOYSA-N 0 0 349.274 2.586 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccncc1C(F)(F)F ZINC001635387799 1100659539 /nfs/dbraw/zinc/65/95/39/1100659539.db2.gz QGYDYZYKUBKLEX-RQOWECAXSA-N 0 0 338.285 2.841 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001635658423 1100672645 /nfs/dbraw/zinc/67/26/45/1100672645.db2.gz VFKGJUAGGDPPBR-UHFFFAOYSA-N 0 0 325.343 2.989 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001635687487 1100674084 /nfs/dbraw/zinc/67/40/84/1100674084.db2.gz FSYQGZMJQMSUIV-FQCWITJCSA-N 0 0 343.354 2.850 10 10 EFCERN C[C@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O ZINC001635804691 1100681500 /nfs/dbraw/zinc/68/15/00/1100681500.db2.gz ZGUSSYNBAIKXML-OBJOEFQTSA-N 0 0 334.416 2.730 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc2c(=O)cc[nH]c2c1)c1ccccc1O ZINC001635976963 1100690346 /nfs/dbraw/zinc/69/03/46/1100690346.db2.gz ZOXIBGAGGFBMOL-GFCCVEGCSA-N 0 0 337.379 2.794 10 10 EFCERN CC(C)C[C@@]1(C(=O)NCc2c(O)ccc3ccccc32)CCNC1=O ZINC001635968437 1100690569 /nfs/dbraw/zinc/69/05/69/1100690569.db2.gz AHFAHDFZDUTPFL-FQEVSTJZSA-N 0 0 340.423 2.714 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccn2)nc1 ZINC001636021953 1100694907 /nfs/dbraw/zinc/69/49/07/1100694907.db2.gz AAUXITHJSGKEIU-UHFFFAOYSA-N 0 0 335.363 2.527 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C=O)sc2Cl)c1O ZINC001636061467 1100697153 /nfs/dbraw/zinc/69/71/53/1100697153.db2.gz NZMLAMDZNKJWGZ-UHFFFAOYSA-N 0 0 325.773 2.858 10 10 EFCERN COc1cccc(CNC(=O)c2cccc(N=S(C)(C)=O)c2)c1O ZINC001636061576 1100697192 /nfs/dbraw/zinc/69/71/92/1100697192.db2.gz RNJNIGNVTDKMSH-UHFFFAOYSA-N 0 0 348.424 2.690 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2nnc(-c3ccco3)o2)c1 ZINC001636061066 1100697283 /nfs/dbraw/zinc/69/72/83/1100697283.db2.gz DEPHFRMZMUCSKL-SECBINFHSA-N 0 0 329.312 2.535 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001636061518 1100697311 /nfs/dbraw/zinc/69/73/11/1100697311.db2.gz PTPDYCRHNGXRLO-SNVBAGLBSA-N 0 0 348.330 2.868 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001636678023 1100732769 /nfs/dbraw/zinc/73/27/69/1100732769.db2.gz ZTBGUJJTDNBLDW-LKUPDRCFSA-N 0 0 349.390 2.865 10 10 EFCERN Cc1cc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)on1 ZINC001637107731 1100757666 /nfs/dbraw/zinc/75/76/66/1100757666.db2.gz GULCHMVYMMYHEK-UHFFFAOYSA-N 0 0 333.351 2.874 10 10 EFCERN CCn1ccnc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001637107539 1100757836 /nfs/dbraw/zinc/75/78/36/1100757836.db2.gz CXPCHUIQHFDMQW-UHFFFAOYSA-N 0 0 332.367 2.865 10 10 EFCERN CCOc1cc(C(=O)NCc2cc(O)ccc2O)cc(Cl)c1O ZINC001637122212 1100758284 /nfs/dbraw/zinc/75/82/84/1100758284.db2.gz BPKTZESPUOHJAT-UHFFFAOYSA-N 0 0 337.759 2.786 10 10 EFCERN CCn1c2ccc(C)cc2nc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001637260969 1100768648 /nfs/dbraw/zinc/76/86/48/1100768648.db2.gz RMJCKPFNHLOFSJ-UHFFFAOYSA-N 0 0 325.368 2.957 10 10 EFCERN CC[C@H](CO)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001637578470 1100791330 /nfs/dbraw/zinc/79/13/30/1100791330.db2.gz YEBKWPZGYHOJIK-QGZVFWFLSA-N 0 0 329.444 2.973 10 10 EFCERN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)c1ccccc1 ZINC001637594864 1100792659 /nfs/dbraw/zinc/79/26/59/1100792659.db2.gz DUMKPRRDFFOJQX-DLLVFACCSA-N 0 0 327.380 2.739 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001637704088 1100801018 /nfs/dbraw/zinc/80/10/18/1100801018.db2.gz XRGROWNWAWYYOM-AWEZNQCLSA-N 0 0 346.814 2.689 10 10 EFCERN Cc1ccn2cnc(C(=O)NCc3ccc4cccnc4c3O)c2c1 ZINC001638573496 1100870605 /nfs/dbraw/zinc/87/06/05/1100870605.db2.gz ZWUQJTVVZKDPJF-UHFFFAOYSA-N 0 0 332.363 2.827 10 10 EFCERN O=C(CCn1sc2ccccc2c1=O)NCc1c(O)cccc1F ZINC001638866591 1100891856 /nfs/dbraw/zinc/89/18/56/1100891856.db2.gz FSJDQRVDGFGABG-UHFFFAOYSA-N 0 0 346.383 2.614 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1ccc(OCC(F)(F)F)nc1 ZINC001638863390 1100893117 /nfs/dbraw/zinc/89/31/17/1100893117.db2.gz NHCIRYMIOYULPG-UHFFFAOYSA-N 0 0 344.264 2.797 10 10 EFCERN C[S@](=N)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001638931272 1100899508 /nfs/dbraw/zinc/89/95/08/1100899508.db2.gz BKCOCJPNDZKPFV-BSQRELMASA-N 0 0 332.381 2.785 10 10 EFCERN CCCNC(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001639192119 1100923885 /nfs/dbraw/zinc/92/38/85/1100923885.db2.gz XMSHMJFTRFHYPQ-UHFFFAOYSA-N 0 0 341.367 2.764 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001639289011 1100934067 /nfs/dbraw/zinc/93/40/67/1100934067.db2.gz GCFTUAQJMOUHKW-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN Cc1nc2cc(F)cc(C(=O)NCc3c(O)cccc3O)c2nc1C ZINC001639289514 1100934123 /nfs/dbraw/zinc/93/41/23/1100934123.db2.gz SBMVDTXETYGDFJ-UHFFFAOYSA-N 0 0 341.342 2.727 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1csc(-c2ncccc2F)n1 ZINC001639292695 1100935065 /nfs/dbraw/zinc/93/50/65/1100935065.db2.gz MUKLGZSGNMRHGP-UHFFFAOYSA-N 0 0 345.355 2.685 10 10 EFCERN COc1cccc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001639341602 1100940092 /nfs/dbraw/zinc/94/00/92/1100940092.db2.gz WLSHOZCJCHFETH-HNNXBMFYSA-N 0 0 341.455 2.755 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC001639444195 1100949413 /nfs/dbraw/zinc/94/94/13/1100949413.db2.gz AMDFZHWEUIIFHV-UHFFFAOYSA-N 0 0 336.347 2.795 10 10 EFCERN Cn1ccc(Nc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)n1 ZINC001639444496 1100949519 /nfs/dbraw/zinc/94/95/19/1100949519.db2.gz NMJFECGXDJBUNR-UHFFFAOYSA-N 0 0 338.367 2.505 10 10 EFCERN COCCn1cc(C(=O)NCc2ccc(O)cc2O)c2ccccc21 ZINC001639444529 1100949561 /nfs/dbraw/zinc/94/95/61/1100949561.db2.gz ONDNLDHWDUAMHY-UHFFFAOYSA-N 0 0 340.379 2.629 10 10 EFCERN COc1ccc(CNC(=O)c2csc(Br)n2)c(O)c1 ZINC001639455690 1100952047 /nfs/dbraw/zinc/95/20/47/1100952047.db2.gz FKHYXAIVVMJHAV-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN CN(C(=O)c1cccc(O)c1O)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001639603772 1100966733 /nfs/dbraw/zinc/96/67/33/1100966733.db2.gz YUCLRADEAKNCJV-OAHLLOKOSA-N 0 0 341.342 2.822 10 10 EFCERN CCn1ncc(Cl)c1C(=O)NCc1ccc2cccnc2c1O ZINC001639624814 1100967379 /nfs/dbraw/zinc/96/73/79/1100967379.db2.gz LFLHPJFSFFKQDH-UHFFFAOYSA-N 0 0 330.775 2.740 10 10 EFCERN COC(=O)CCCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840272999 1100967347 /nfs/dbraw/zinc/96/73/47/1100967347.db2.gz BNDBVJPOLJXYFW-OAHLLOKOSA-N 0 0 349.475 2.635 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCCOCCO ZINC001639685422 1100973692 /nfs/dbraw/zinc/97/36/92/1100973692.db2.gz BEAAHJGWJOIYKP-UHFFFAOYSA-N 0 0 344.367 2.637 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ncc(C)cn1 ZINC001639713327 1100977623 /nfs/dbraw/zinc/97/76/23/1100977623.db2.gz JBWZRXNNOMDIDV-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001639884439 1100992775 /nfs/dbraw/zinc/99/27/75/1100992775.db2.gz WQNGNUAMBYFHKV-CLTKARDFSA-N 0 0 329.312 2.700 10 10 EFCERN Cc1cn2cc(CC(=O)NCc3cc(Cl)ccc3O)nc2s1 ZINC001639965092 1100999523 /nfs/dbraw/zinc/99/95/23/1100999523.db2.gz CFAKUXSZCFJDIF-UHFFFAOYSA-N 0 0 335.816 2.922 10 10 EFCERN COC(=O)c1cncnc1N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001640043403 1101008298 /nfs/dbraw/zinc/00/82/98/1101008298.db2.gz QIOOZJSXJSYECP-ZDUSSCGKSA-N 0 0 328.416 2.681 10 10 EFCERN CCc1cc(C(=O)NCc2cccc(Br)c2O)no1 ZINC001640087893 1101012924 /nfs/dbraw/zinc/01/29/24/1101012924.db2.gz MFEBNAAUGXSDNN-UHFFFAOYSA-N 0 0 325.162 2.635 10 10 EFCERN Cn1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)nn1 ZINC001640116051 1101016006 /nfs/dbraw/zinc/01/60/06/1101016006.db2.gz DHVWLULHCZBYBE-UHFFFAOYSA-N 0 0 337.339 2.566 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(=O)c1ccccn1 ZINC001640260245 1101030203 /nfs/dbraw/zinc/03/02/03/1101030203.db2.gz XEFLUVQYLIVNLL-UHFFFAOYSA-N 0 0 333.384 2.552 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(-n2ccnn2)c1 ZINC001640405433 1101043156 /nfs/dbraw/zinc/04/31/56/1101043156.db2.gz UMKXUXWGTMOUCP-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1=CCOCC1 ZINC000840382772 1101049706 /nfs/dbraw/zinc/04/97/06/1101049706.db2.gz TUROZVMXEUPXDT-HNNXBMFYSA-N 0 0 331.460 2.638 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001640746453 1101075864 /nfs/dbraw/zinc/07/58/64/1101075864.db2.gz RECRVPLATXESOE-INIZCTEOSA-N 0 0 339.439 2.971 10 10 EFCERN Cc1ccc(O)c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001640796730 1101079316 /nfs/dbraw/zinc/07/93/16/1101079316.db2.gz MZTKIKDUUBSHBK-UHFFFAOYSA-N 0 0 330.340 2.612 10 10 EFCERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001640920752 1101087758 /nfs/dbraw/zinc/08/77/58/1101087758.db2.gz VHLGSGJOSMMFIE-INIZCTEOSA-N 0 0 344.798 2.640 10 10 EFCERN Cc1cc(C(=O)Cn2ccnc2[N+](=O)[O-])c(C)n1-c1ccc(F)cn1 ZINC001641354767 1101128700 /nfs/dbraw/zinc/12/87/00/1101128700.db2.gz PMKUBPLTEMJEIV-UHFFFAOYSA-N 0 0 343.318 2.616 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001641489405 1101141139 /nfs/dbraw/zinc/14/11/39/1101141139.db2.gz UTOMLLQRLBPYDD-WRLNGNIRSA-N 0 0 343.354 2.850 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001641489403 1101141195 /nfs/dbraw/zinc/14/11/95/1101141195.db2.gz UTOMLLQRLBPYDD-BIENSFFJSA-N 0 0 343.354 2.850 10 10 EFCERN O=C(NCc1sccc1Br)c1c(F)ccc(O)c1O ZINC001641513420 1101142677 /nfs/dbraw/zinc/14/26/77/1101142677.db2.gz FLJGPOBIPISASA-UHFFFAOYSA-N 0 0 346.177 2.991 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1cccc(C(C)C)c1 ZINC001641623219 1101152078 /nfs/dbraw/zinc/15/20/78/1101152078.db2.gz XJRIWZGELHZQTE-HNAYVOBHSA-N 0 0 344.455 2.689 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(Br)cn1 ZINC001648969573 1101185370 /nfs/dbraw/zinc/18/53/70/1101185370.db2.gz YEDBFOSDDNBECM-QHHAFSJGSA-N 0 0 349.184 2.585 10 10 EFCERN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001642488583 1101216060 /nfs/dbraw/zinc/21/60/60/1101216060.db2.gz UUVFYQULFKXHPL-NSHDSACASA-N 0 0 348.403 2.899 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccncc1Br ZINC001642517365 1101219669 /nfs/dbraw/zinc/21/96/69/1101219669.db2.gz FUKVHTINEZJOPY-DUXPYHPUSA-N 0 0 349.184 2.585 10 10 EFCERN CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001642827406 1101245894 /nfs/dbraw/zinc/24/58/94/1101245894.db2.gz HRBLMHHRZLJUEX-GFCCVEGCSA-N 0 0 333.409 2.677 10 10 EFCERN C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1O ZINC001642827229 1101245991 /nfs/dbraw/zinc/24/59/91/1101245991.db2.gz CSKRNDFVKGZFCS-MRVPVSSYSA-N 0 0 337.173 2.746 10 10 EFCERN Cc1cc(CCNC(=O)c2ccnc(CO)c2)c(C)n1-c1ccccc1 ZINC001643017843 1101263833 /nfs/dbraw/zinc/26/38/33/1101263833.db2.gz RCHGBKLEWSCKNH-UHFFFAOYSA-N 0 0 349.434 2.954 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2cccc(F)c2)CC1 ZINC001643030952 1101264997 /nfs/dbraw/zinc/26/49/97/1101264997.db2.gz FCKRNYBBGSFEDZ-ALCCZGGFSA-N 0 0 342.370 2.599 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1csc(-c2ccc(O)cc2)n1 ZINC001643103942 1101270859 /nfs/dbraw/zinc/27/08/59/1101270859.db2.gz JSJKMZBBUWHHTD-UHFFFAOYSA-N 0 0 342.376 2.857 10 10 EFCERN COC(=O)c1cnc(NCc2cc(O)ccc2O)cc1C(F)(F)F ZINC001643129983 1101273408 /nfs/dbraw/zinc/27/34/08/1101273408.db2.gz MZEGCMUEQUFZPP-UHFFFAOYSA-N 0 0 342.273 2.910 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001643388395 1101295707 /nfs/dbraw/zinc/29/57/07/1101295707.db2.gz VSQYSKVQQFFPSI-OCBCSQNSSA-N 0 0 329.783 2.748 10 10 EFCERN COc1cc2c(c(OC)c1)N(CCc1ccc(C(N)=O)cc1)CCC2 ZINC001643434384 1101297792 /nfs/dbraw/zinc/29/77/92/1101297792.db2.gz HAABDECNRZJIPM-UHFFFAOYSA-N 0 0 340.423 2.798 10 10 EFCERN O=C(COC(=O)C12CC(c3ccccc3)(C1)C2)c1ccc(O)c(O)c1 ZINC000784927328 1101318819 /nfs/dbraw/zinc/31/88/19/1101318819.db2.gz MJWDKUORLOCZHA-UHFFFAOYSA-N 0 0 338.359 2.946 10 10 EFCERN COc1ccc(O)c([C@H](C)Nc2ccnc(-c3nccs3)n2)c1 ZINC001651498652 1101337550 /nfs/dbraw/zinc/33/75/50/1101337550.db2.gz QNTSWDIMDAFYEE-JTQLQIEISA-N 0 0 328.397 2.909 10 10 EFCERN CC[C@H](C)n1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1C ZINC000784940507 1101425987 /nfs/dbraw/zinc/42/59/87/1101425987.db2.gz YVYYXBQNGPBPSN-JTQLQIEISA-N 0 0 332.356 2.613 10 10 EFCERN COC(=O)c1nccc(NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001652116470 1101437287 /nfs/dbraw/zinc/43/72/87/1101437287.db2.gz YIYFDARNZWCATQ-UHFFFAOYSA-N 0 0 336.395 2.705 10 10 EFCERN COC(=O)c1csc(COc2ccc(N(C)C)c(C(=O)OC)c2)c1 ZINC001652165157 1101445879 /nfs/dbraw/zinc/44/58/79/1101445879.db2.gz KYQVPTGDOGKKPW-UHFFFAOYSA-N 0 0 349.408 2.966 10 10 EFCERN CC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1 ZINC001670665952 1101460277 /nfs/dbraw/zinc/46/02/77/1101460277.db2.gz RAXGMSCWYKVHKL-UHFFFAOYSA-N 0 0 336.395 2.982 10 10 EFCERN Oc1cccc(O)c1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC001652267836 1101465156 /nfs/dbraw/zinc/46/51/56/1101465156.db2.gz WTUYKTKPTMCXQU-UHFFFAOYSA-N 0 0 333.351 2.815 10 10 EFCERN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1c(O)cccc1F ZINC001652298910 1101470753 /nfs/dbraw/zinc/47/07/53/1101470753.db2.gz TYZZHEGPQMDFPK-UHFFFAOYSA-N 0 0 335.762 2.979 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cccc(Cn2ccnc2)c1 ZINC001652298978 1101471614 /nfs/dbraw/zinc/47/16/14/1101471614.db2.gz WVJMGMLURHHIFZ-UHFFFAOYSA-N 0 0 325.343 2.706 10 10 EFCERN O=C(N[C@H](c1ncon1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001652323063 1101477199 /nfs/dbraw/zinc/47/71/99/1101477199.db2.gz RZAOHHCHJBDKNR-ZDUSSCGKSA-N 0 0 331.353 2.577 10 10 EFCERN COCCN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001125451269 1101489184 /nfs/dbraw/zinc/48/91/84/1101489184.db2.gz GETNMEZZFXOIFU-UHFFFAOYSA-N 0 0 330.428 2.634 10 10 EFCERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(O)cccc1O ZINC001652622953 1101521954 /nfs/dbraw/zinc/52/19/54/1101521954.db2.gz KXYILLUOASVDEQ-JTQLQIEISA-N 0 0 348.380 2.803 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1c(F)cccc1Br ZINC001652625916 1101522005 /nfs/dbraw/zinc/52/20/05/1101522005.db2.gz NQVYWUYABBKUMB-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001652622936 1101522054 /nfs/dbraw/zinc/52/20/54/1101522054.db2.gz KNEQUGWBPGLQMY-UHFFFAOYSA-N 0 0 343.339 2.510 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c2c(n1)onc2C(C)C ZINC001652623366 1101522576 /nfs/dbraw/zinc/52/25/76/1101522576.db2.gz VULAYAJYPJHGLY-UHFFFAOYSA-N 0 0 341.367 2.996 10 10 EFCERN CC(=O)c1cccc(OCCCC(=O)NCc2c(O)cccc2O)c1 ZINC001652622627 1101522739 /nfs/dbraw/zinc/52/27/39/1101522739.db2.gz BOLMHGYJIMKCKL-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CC(C)[C@@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCCC1=O ZINC001652705459 1101532511 /nfs/dbraw/zinc/53/25/11/1101532511.db2.gz GDLHQIPNUDDNFU-IBGZPJMESA-N 0 0 340.423 2.809 10 10 EFCERN C[C@H](OC[C@H]1CCCO1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705784 1101533171 /nfs/dbraw/zinc/53/31/71/1101533171.db2.gz NVXAVWXEKIGQBP-DZGCQCFKSA-N 0 0 329.396 2.746 10 10 EFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2c(c1)CCO2 ZINC001652953528 1101569828 /nfs/dbraw/zinc/56/98/28/1101569828.db2.gz CWEQIJZROOYROB-AUXFESMGSA-N 0 0 325.364 2.923 10 10 EFCERN CCOc1ccc(N2CCN([C@@H](C(=O)OC)[C@H](C)CC)CC2)cc1 ZINC001652964687 1101571931 /nfs/dbraw/zinc/57/19/31/1101571931.db2.gz PMFMXBPWHZOJAN-CRAIPNDOSA-N 0 0 334.460 2.795 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccccc1-n1ccnn1 ZINC001653567070 1101633096 /nfs/dbraw/zinc/63/30/96/1101633096.db2.gz IZKCLZGPPDHKNA-UHFFFAOYSA-N 0 0 328.759 2.556 10 10 EFCERN Cc1cc(-n2cccn2)ccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001653694339 1101643341 /nfs/dbraw/zinc/64/33/41/1101643341.db2.gz OWLJTKICPGZVPA-XBXARRHUSA-N 0 0 349.390 2.922 10 10 EFCERN Cc1ccccc1-c1nc(CNC(=O)c2c(F)ccc(O)c2O)no1 ZINC001654408957 1101712476 /nfs/dbraw/zinc/71/24/76/1101712476.db2.gz APWNISFMKVQTSJ-UHFFFAOYSA-N 0 0 343.314 2.525 10 10 EFCERN CO[C@@H](C)c1noc(CN(C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092274 1101739845 /nfs/dbraw/zinc/73/98/45/1101739845.db2.gz CNVOQTDCPCOOFH-NSHDSACASA-N 0 0 328.372 2.663 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cccc4nc[nH]c(=O)c43)ccc21 ZINC001625848008 1101809346 /nfs/dbraw/zinc/80/93/46/1101809346.db2.gz QAFNBOVZIMKTFK-UHFFFAOYSA-N 0 0 348.406 2.648 10 10 EFCERN Cc1cc(CNc2nccn3nnnc23)c(C)n1-c1cccc(C)c1 ZINC001655750597 1101884782 /nfs/dbraw/zinc/88/47/82/1101884782.db2.gz QLKOAOFGWYOLHI-UHFFFAOYSA-N 0 0 333.399 2.847 10 10 EFCERN O=C(Nc1ccccc1)c1ccc(N2Cc3cccc(O)c3C2)nn1 ZINC001655787919 1101890067 /nfs/dbraw/zinc/89/00/67/1101890067.db2.gz IELVQJWEGRQRNY-UHFFFAOYSA-N 0 0 332.363 2.955 10 10 EFCERN CCCCc1noc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1 ZINC001656825885 1102214989 /nfs/dbraw/zinc/21/49/89/1102214989.db2.gz JDBGEAMRHJOADE-UHFFFAOYSA-N 0 0 333.388 2.844 10 10 EFCERN CC[C@@H](C)[C@@H](C(=O)OC)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068445 1102317304 /nfs/dbraw/zinc/31/73/04/1102317304.db2.gz NJZHENJMLAOEQI-DYVFJYSZSA-N 0 0 338.423 2.544 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc(Br)ccc2N)c1 ZINC001167293721 1102337280 /nfs/dbraw/zinc/33/72/80/1102337280.db2.gz PJNJHYYNTCNBKQ-UHFFFAOYSA-N 0 0 335.201 2.975 10 10 EFCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)c1 ZINC001167293938 1102340212 /nfs/dbraw/zinc/34/02/12/1102340212.db2.gz VOOKDUZFHFFMBB-INIZCTEOSA-N 0 0 346.333 2.788 10 10 EFCERN COc1ccc(N(C)CCOc2ccc3c(c2)OCO3)cc1OC ZINC001657126199 1102344468 /nfs/dbraw/zinc/34/44/68/1102344468.db2.gz FRIPWWDHUSMVFO-UHFFFAOYSA-N 0 0 331.368 2.948 10 10 EFCERN CN(Cc1coc(S(N)(=O)=O)c1)c1ccc(-c2nccs2)cc1 ZINC001658931917 1102498884 /nfs/dbraw/zinc/49/88/84/1102498884.db2.gz CPOYYIINKWKBBC-UHFFFAOYSA-N 0 0 349.437 2.687 10 10 EFCERN C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)c1ccccc1O ZINC001648889876 1102549956 /nfs/dbraw/zinc/54/99/56/1102549956.db2.gz QARKSIDNSLRZQO-LLVKDONJSA-N 0 0 343.358 2.552 10 10 EFCERN Cc1n[nH]c(C(=O)NCc2ccc(N(C)C)cc2)c1C(F)(F)F ZINC000905318683 1103049210 /nfs/dbraw/zinc/04/92/10/1103049210.db2.gz QMLMWDQRIGJGPK-UHFFFAOYSA-N 0 0 326.322 2.733 10 10 EFCERN CCC[C@H](CC)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001625951482 1103127265 /nfs/dbraw/zinc/12/72/65/1103127265.db2.gz CMHCVVVQIZJHRF-KRWDZBQOSA-N 0 0 347.503 2.760 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000906510821 1104257320 /nfs/dbraw/zinc/25/73/20/1104257320.db2.gz DIVCOVQPPNDYQJ-KBXCAEBGSA-N 0 0 332.444 2.595 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2ccncc2)nn1C ZINC000906713877 1104446821 /nfs/dbraw/zinc/44/68/21/1104446821.db2.gz KOPWHXVMZPMKIL-UHFFFAOYSA-N 0 0 349.438 2.787 10 10 EFCERN CON(C)CCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001143596046 1104570205 /nfs/dbraw/zinc/57/02/05/1104570205.db2.gz KUCNYTAHDFYIQF-UHFFFAOYSA-N 0 0 343.427 2.520 10 10 EFCERN C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841890741 1105843568 /nfs/dbraw/zinc/84/35/68/1105843568.db2.gz FHJKAILVKYIYJR-GHMZBOCLSA-N 0 0 333.259 2.586 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]2(C1)CCCOC2 ZINC000897698017 1106052996 /nfs/dbraw/zinc/05/29/96/1106052996.db2.gz KHIJEUZEJVSNGM-QGZVFWFLSA-N 0 0 333.409 2.955 10 10 EFCERN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc5cc(O)c(O)cc5s4)[C@H]1[C@H]3C2 ZINC000897734626 1106084051 /nfs/dbraw/zinc/08/40/51/1106084051.db2.gz MEFCRYAYZKVWNV-CESHALSISA-N 0 0 345.420 2.808 10 10 EFCERN CCC[C@@]1(CO)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897787570 1106096199 /nfs/dbraw/zinc/09/61/99/1106096199.db2.gz ORULAHRZXCYEIQ-QGZVFWFLSA-N 0 0 335.425 2.937 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1C1CCC1 ZINC000898088249 1106220427 /nfs/dbraw/zinc/22/04/27/1106220427.db2.gz MACFZTKLNIEQFU-GFCCVEGCSA-N 0 0 333.409 2.954 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(-c2csnn2)cc1 ZINC001142533027 1106238256 /nfs/dbraw/zinc/23/82/56/1106238256.db2.gz CQACDUSUSHVXMW-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(-c2cncnc2)cc1F ZINC001142533448 1106238774 /nfs/dbraw/zinc/23/87/74/1106238774.db2.gz KTLUNCGCMVAAAV-UHFFFAOYSA-N 0 0 339.326 2.624 10 10 EFCERN COc1ccc(CNC(=O)NCc2cc(O)ccc2Cl)c(O)c1 ZINC001675600453 1106391648 /nfs/dbraw/zinc/39/16/48/1106391648.db2.gz PAPWJJHWWMLTHU-UHFFFAOYSA-N 0 0 336.775 2.759 10 10 EFCERN C[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC001676403244 1106525399 /nfs/dbraw/zinc/52/53/99/1106525399.db2.gz QJSQEPPOXQONSB-LBPRGKRZSA-N 0 0 329.356 2.903 10 10 EFCERN CC(=O)N1CCc2c1cccc2NC(=O)NCc1c(O)cccc1F ZINC001676691222 1106559707 /nfs/dbraw/zinc/55/97/07/1106559707.db2.gz USQGFTPFBOCBIJ-UHFFFAOYSA-N 0 0 343.358 2.762 10 10 EFCERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1F ZINC001676698281 1106560818 /nfs/dbraw/zinc/56/08/18/1106560818.db2.gz LBLRCWNCGJFBDF-YSVLISHTSA-N 0 0 347.434 2.855 10 10 EFCERN Cc1cc(Cc2nc(-c3cn(C)nn3)no2)c(C)n1-c1ccccc1 ZINC000904809797 1108188970 /nfs/dbraw/zinc/18/89/70/1108188970.db2.gz TZOPNLSXIXAOIT-UHFFFAOYSA-N 0 0 334.383 2.863 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926961733 1108304615 /nfs/dbraw/zinc/30/46/15/1108304615.db2.gz JKQAZCVZHLKLIC-YGRLFVJLSA-N 0 0 348.365 2.712 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926961732 1108304708 /nfs/dbraw/zinc/30/47/08/1108304708.db2.gz JKQAZCVZHLKLIC-QMTHXVAHSA-N 0 0 348.365 2.712 10 10 EFCERN Cc1cc(CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC001682001544 1108510444 /nfs/dbraw/zinc/51/04/44/1108510444.db2.gz JEOTWOLZDYCWLT-BWTSREIZSA-N 0 0 339.439 2.847 10 10 EFCERN O=C(NCc1cccc(C(F)(F)F)n1)NCc1ccccc1O ZINC001682671748 1108624045 /nfs/dbraw/zinc/62/40/45/1108624045.db2.gz HRCBBMMOERZXOU-UHFFFAOYSA-N 0 0 325.290 2.805 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H](OC)C3CCCCC3)CC2)cc1 ZINC001127277103 1108672317 /nfs/dbraw/zinc/67/23/17/1108672317.db2.gz STSDBGLTTIFPCR-IBGZPJMESA-N 0 0 346.471 2.939 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@](O)(C2CC2)C1 ZINC000898720741 1109062354 /nfs/dbraw/zinc/06/23/54/1109062354.db2.gz HBVBIEAUURZKOE-QGZVFWFLSA-N 0 0 333.409 2.690 10 10 EFCERN CC(C)(O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899182364 1109234032 /nfs/dbraw/zinc/23/40/32/1109234032.db2.gz YPAQOCQDCPZHHY-UHFFFAOYSA-N 0 0 335.425 2.936 10 10 EFCERN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000899173829 1109235234 /nfs/dbraw/zinc/23/52/34/1109235234.db2.gz PGXFCKFHXBOZNF-HNNXBMFYSA-N 0 0 346.427 2.928 10 10 EFCERN O=C(N[C@@H]1CCCn2nccc21)c1cc2cc(O)c(O)cc2s1 ZINC000899186327 1109241071 /nfs/dbraw/zinc/24/10/71/1109241071.db2.gz BOMWZHZANJRKBF-SNVBAGLBSA-N 0 0 329.381 2.774 10 10 EFCERN Cc1cc(CC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000899383564 1109305095 /nfs/dbraw/zinc/30/50/95/1109305095.db2.gz IXUUMVWRLPXVII-DBVUQKKJSA-N 0 0 338.451 2.866 10 10 EFCERN O=C(c1cn2c(n1)CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000843820718 1109486241 /nfs/dbraw/zinc/48/62/41/1109486241.db2.gz XLXILICYROYBBH-UHFFFAOYSA-N 0 0 337.379 2.971 10 10 EFCERN CC(F)(F)CCCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000916704183 1111974388 /nfs/dbraw/zinc/97/43/88/1111974388.db2.gz HBQKWVADVBSIQE-UHFFFAOYSA-N 0 0 327.780 2.900 10 10 EFCERN CCN(C[C@@H]1CCCO1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000920337636 1112338384 /nfs/dbraw/zinc/33/83/84/1112338384.db2.gz IMJYSMARQWMYAJ-LEJCZOIISA-N 0 0 334.372 2.786 10 10 EFCERN CCN(C[C@H]1CCCO1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000920337635 1112338412 /nfs/dbraw/zinc/33/84/12/1112338412.db2.gz IMJYSMARQWMYAJ-IUCKJTJTSA-N 0 0 334.372 2.786 10 10 EFCERN Cc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000175554780 1112430163 /nfs/dbraw/zinc/43/01/63/1112430163.db2.gz UOKUMLSECGTPBA-UHFFFAOYSA-N 0 0 325.412 2.974 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000183813494 1118782387 /nfs/dbraw/zinc/78/23/87/1118782387.db2.gz BVUBEXFFENTDOR-UHFFFAOYSA-N 0 0 344.411 2.895 10 10 EFCERN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000784855694 1118788229 /nfs/dbraw/zinc/78/82/29/1118788229.db2.gz OUIGMCLNHDREQK-MRXNPFEDSA-N 0 0 334.485 2.814 10 10 EFCERN COc1cccc2c1nc(NC(=O)/C=C/c1ccc(O)c(O)c1)n2C ZINC000184150037 1118947933 /nfs/dbraw/zinc/94/79/33/1118947933.db2.gz KUUVDEDILFSZHQ-VQHVLOKHSA-N 0 0 339.351 2.645 10 10 EFCERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001299249663 1120738120 /nfs/dbraw/zinc/73/81/20/1120738120.db2.gz KNBKHYPBFYTBHN-NSHDSACASA-N 0 0 329.352 2.935 10 10 EFCERN COCCNC(C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000004736862 210264676 /nfs/dbraw/zinc/26/46/76/210264676.db2.gz GAOTXOCTCZHIIF-GXDHUFHOSA-N 0 0 330.413 2.529 10 10 EFCERN CN(C)c1ccc(CNC(=O)NCCCc2ccccn2)cc1F ZINC000179190919 529781577 /nfs/dbraw/zinc/78/15/77/529781577.db2.gz ZCCZUZWFSQAYEC-UHFFFAOYSA-N 0 0 330.407 2.719 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000175617357 529781665 /nfs/dbraw/zinc/78/16/65/529781665.db2.gz LMUYFVTWYLGLKE-HNNXBMFYSA-N 0 0 347.459 2.626 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(C)CCC1 ZINC000176637212 529988706 /nfs/dbraw/zinc/98/87/06/529988706.db2.gz CBQNZYPLMLHPMU-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000176136805 530003351 /nfs/dbraw/zinc/00/33/51/530003351.db2.gz KGNQAOCJWVOBIR-IBGZPJMESA-N 0 0 348.443 2.998 10 10 EFCERN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OC(C)=O)cc3)C2=N)S1 ZINC000003863099 210080623 /nfs/dbraw/zinc/08/06/23/210080623.db2.gz QGDWELWWKSPUJA-CBYQKHDWSA-N 0 0 342.380 2.641 10 10 EFCERN Nc1ccc(OCCNC(=O)c2ccc(Br)s2)cc1 ZINC000038079542 213201435 /nfs/dbraw/zinc/20/14/35/213201435.db2.gz DEOSXKUWOJHQIC-UHFFFAOYSA-N 0 0 341.230 2.902 10 10 EFCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159088032 239018839 /nfs/dbraw/zinc/01/88/39/239018839.db2.gz AWNAUKUSZDNVOW-IAQYHMDHSA-N 0 0 340.379 2.622 10 10 EFCERN COC(=O)/C=C/c1ccc(N2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000280472182 283708868 /nfs/dbraw/zinc/70/88/68/283708868.db2.gz NCNFOEPJLHINKV-PDAAITAISA-N 0 0 346.383 2.785 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000280608772 283707980 /nfs/dbraw/zinc/70/79/80/283707980.db2.gz YEXUMRQXNFWTEW-DBWMJRBXSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)cc1 ZINC000180488284 239491147 /nfs/dbraw/zinc/49/11/47/239491147.db2.gz BPMKIXOZARKDDM-UHFFFAOYSA-N 0 0 342.443 2.510 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CNC(=O)C1 ZINC000181584099 239516507 /nfs/dbraw/zinc/51/65/07/239516507.db2.gz JZRMJBAJPGNQIO-RHSMWYFYSA-N 0 0 338.407 2.618 10 10 EFCERN Oc1cc2c(cc1CN1CCN(Cc3ccccc3F)CC1)OCO2 ZINC000023254207 212365141 /nfs/dbraw/zinc/36/51/41/212365141.db2.gz DCCDUAJUYAXQDZ-UHFFFAOYSA-N 0 0 344.386 2.578 10 10 EFCERN CN(Cc1nc(N(C)C)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000192693000 240060966 /nfs/dbraw/zinc/06/09/66/240060966.db2.gz VKGJZRXNSYQJQF-UHFFFAOYSA-N 0 0 329.448 2.758 10 10 EFCERN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000193092471 240085571 /nfs/dbraw/zinc/08/55/71/240085571.db2.gz ZNXLUGVTTVYLQL-BZNIZROVSA-N 0 0 331.343 2.839 10 10 EFCERN CCCCCOCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000194812523 240179884 /nfs/dbraw/zinc/17/98/84/240179884.db2.gz ZXCDQHQXKOMBFI-UHFFFAOYSA-N 0 0 334.460 2.941 10 10 EFCERN Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932214 240187427 /nfs/dbraw/zinc/18/74/27/240187427.db2.gz FLJYYGGNAWFYPO-CQSZACIVSA-N 0 0 330.432 2.838 10 10 EFCERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000237598187 240245406 /nfs/dbraw/zinc/24/54/06/240245406.db2.gz XOOMUIMEPYPEST-NPMABZOXSA-N 0 0 330.453 2.768 10 10 EFCERN Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000237989661 240249230 /nfs/dbraw/zinc/24/92/30/240249230.db2.gz SPKNAMJMNPMIQK-HNNXBMFYSA-N 0 0 329.425 2.503 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249184863 240299011 /nfs/dbraw/zinc/29/90/11/240299011.db2.gz NXDMNZFNPJIISK-RCCFBDPRSA-N 0 0 331.460 2.852 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247247960 240277902 /nfs/dbraw/zinc/27/79/02/240277902.db2.gz GAAUBRUEXICQKM-OTWHNJEPSA-N 0 0 341.455 2.820 10 10 EFCERN C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000248499562 240291582 /nfs/dbraw/zinc/29/15/82/240291582.db2.gz MUUUWRVNRUJFJM-JCGIZDLHSA-N 0 0 344.430 2.817 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000263738377 240387041 /nfs/dbraw/zinc/38/70/41/240387041.db2.gz VINGEXWOAXNEDE-UHFFFAOYSA-N 0 0 327.432 2.565 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1F ZINC000263759380 240392261 /nfs/dbraw/zinc/39/22/61/240392261.db2.gz GNYZEBMJVHWKGJ-UHFFFAOYSA-N 0 0 345.422 2.704 10 10 EFCERN COc1cc(N(C)C[C@H](O)COc2ccccc2)cc(OC)c1OC ZINC000265974179 240469199 /nfs/dbraw/zinc/46/91/99/240469199.db2.gz AXTGLEBVWDSMBY-HNNXBMFYSA-N 0 0 347.411 2.589 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266566482 240481306 /nfs/dbraw/zinc/48/13/06/240481306.db2.gz ODYRQXWSGDLZRK-LSDHHAIUSA-N 0 0 325.364 2.583 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000272705340 240678365 /nfs/dbraw/zinc/67/83/65/240678365.db2.gz WXFAZCJJXCVAFU-PMUGQKEBSA-N 0 0 349.452 2.672 10 10 EFCERN COC[C@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000272501180 240663373 /nfs/dbraw/zinc/66/33/73/240663373.db2.gz PGULZKQTHSBEDK-IBGZPJMESA-N 0 0 330.428 2.611 10 10 EFCERN CCOC(=O)[C@H](NCc1cc(OCC)ccc1O)c1cccc(O)c1 ZINC000276698078 240770191 /nfs/dbraw/zinc/77/01/91/240770191.db2.gz AUMYEAVITFFOHB-GOSISDBHSA-N 0 0 345.395 2.891 10 10 EFCERN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000280498391 240873181 /nfs/dbraw/zinc/87/31/81/240873181.db2.gz CLODWXQXKSKGMF-UHFFFAOYSA-N 0 0 337.397 2.990 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000294214534 241037067 /nfs/dbraw/zinc/03/70/67/241037067.db2.gz LMKUFKUSJYMXDJ-LBPRGKRZSA-N 0 0 343.757 2.853 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000294214515 241037329 /nfs/dbraw/zinc/03/73/29/241037329.db2.gz LMKUFKUSJYMXDJ-GFCCVEGCSA-N 0 0 343.757 2.853 10 10 EFCERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO1 ZINC000290940159 241024227 /nfs/dbraw/zinc/02/42/27/241024227.db2.gz FWBLEVPUGQWJIS-LBPRGKRZSA-N 0 0 341.358 2.604 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCOC[C@H]2OC)cc1 ZINC000294297652 241042123 /nfs/dbraw/zinc/04/21/23/241042123.db2.gz CJPQCGROFSLCNY-FUHWJXTLSA-N 0 0 334.460 2.591 10 10 EFCERN COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000294486898 241046211 /nfs/dbraw/zinc/04/62/11/241046211.db2.gz WUUHQKNAMFGRER-INIZCTEOSA-N 0 0 328.412 2.964 10 10 EFCERN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521297 241054456 /nfs/dbraw/zinc/05/44/56/241054456.db2.gz ZYVDWZGBJZOOKD-ZFWWWQNUSA-N 0 0 349.855 2.972 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nccn1CC ZINC000298093603 241142920 /nfs/dbraw/zinc/14/29/20/241142920.db2.gz LTDMFTMXKDVXBH-UHFFFAOYSA-N 0 0 329.448 2.701 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000299032640 241164761 /nfs/dbraw/zinc/16/47/61/241164761.db2.gz DSULWQKYDLMPRH-AWEZNQCLSA-N 0 0 337.427 2.813 10 10 EFCERN Cc1noc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)c1C ZINC000359738693 242165365 /nfs/dbraw/zinc/16/53/65/242165365.db2.gz JFOVNNGGZGUFKX-UHFFFAOYSA-N 0 0 341.392 2.760 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3ccc4c[nH]nc4c3)CC2)cc1 ZINC000021540972 212231677 /nfs/dbraw/zinc/23/16/77/212231677.db2.gz NPCSDWJNHQDKTH-UHFFFAOYSA-N 0 0 336.395 2.534 10 10 EFCERN CC(=O)c1cc(F)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000363886993 242285954 /nfs/dbraw/zinc/28/59/54/242285954.db2.gz ZDUATVSOLVBURQ-INIZCTEOSA-N 0 0 340.358 2.731 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC12CCC2 ZINC000365642369 242330794 /nfs/dbraw/zinc/33/07/94/242330794.db2.gz WQNKBCOSAYZZNE-UHFFFAOYSA-N 0 0 347.434 2.890 10 10 EFCERN CS(=O)(=O)CC[C@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000366534752 242355088 /nfs/dbraw/zinc/35/50/88/242355088.db2.gz LQWWCKYKWLGWJA-CQSZACIVSA-N 0 0 331.865 2.835 10 10 EFCERN Cc1cc(C(=O)N2CCC23CCOCC3)c(C)n1-c1ccccn1 ZINC000364959629 242312213 /nfs/dbraw/zinc/31/22/13/242312213.db2.gz JSCBSTAJZRQMHJ-UHFFFAOYSA-N 0 0 325.412 2.884 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@]2(C1)CCCOC2 ZINC000367415383 242380400 /nfs/dbraw/zinc/38/04/00/242380400.db2.gz MWHWTZBXJIRZEM-HXUWFJFHSA-N 0 0 343.471 2.999 10 10 EFCERN O=c1c(N2CC=C(c3ccc(Cl)nc3)CC2)nccn1C(F)F ZINC000367936231 242397262 /nfs/dbraw/zinc/39/72/62/242397262.db2.gz VZLGYWXIONESJU-UHFFFAOYSA-N 0 0 338.745 2.981 10 10 EFCERN C[C@H]1SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O ZINC000011636099 211227969 /nfs/dbraw/zinc/22/79/69/211227969.db2.gz GBOCDIBJQQXBNO-SECBINFHSA-N 0 0 326.418 2.793 10 10 EFCERN COCCN1C(=O)/C(=C/c2ccc(Cl)cc2)C(C(=O)OC)=C1C ZINC000005824099 210544135 /nfs/dbraw/zinc/54/41/35/210544135.db2.gz UHYCONNCEUQCEU-GXDHUFHOSA-N 0 0 335.787 2.659 10 10 EFCERN COc1nc(C)nc(NCc2ccc(N3CCOCC3)cc2)c1C ZINC000159351951 533183109 /nfs/dbraw/zinc/18/31/09/533183109.db2.gz KKRZOCONYMYZPM-UHFFFAOYSA-N 0 0 328.416 2.551 10 10 EFCERN COC(=O)CCCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174018963 533365356 /nfs/dbraw/zinc/36/53/56/533365356.db2.gz WSQMCXUHKUFHCD-UHFFFAOYSA-N 0 0 348.443 2.804 10 10 EFCERN Cc1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)o1 ZINC000020356499 292040068 /nfs/dbraw/zinc/04/00/68/292040068.db2.gz TWOQHRUBCDNWFI-AOAZTSALSA-N 0 0 343.412 2.651 10 10 EFCERN O=C(NC1=N[C@H](c2ccc(Cl)cc2)CC(=O)N1)c1cccc(F)c1 ZINC000020530765 274979712 /nfs/dbraw/zinc/97/97/12/274979712.db2.gz KGLBEZFNBHAOQY-AWEZNQCLSA-N 0 0 345.761 2.826 10 10 EFCERN CC(C)COC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301712873 275582458 /nfs/dbraw/zinc/58/24/58/275582458.db2.gz YQBNUHXJQRYGIP-UHFFFAOYSA-N 0 0 349.387 2.567 10 10 EFCERN CCN1c2cc(OC)ccc2S/C1=C1/SC(=S)N(N)C1=O ZINC000003208397 276254380 /nfs/dbraw/zinc/25/43/80/276254380.db2.gz AOJDQJNGWHTNLS-ZRDIBKRKSA-N 0 0 339.467 2.530 10 10 EFCERN COCC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000264810324 277486610 /nfs/dbraw/zinc/48/66/10/277486610.db2.gz OTCFEMXAWVODBE-GQCTYLIASA-N 0 0 334.372 2.644 10 10 EFCERN Cc1cc(C(=O)N2CCOC[C@@H]2CC(F)F)c(C)n1-c1ccccn1 ZINC000286765783 278636817 /nfs/dbraw/zinc/63/68/17/278636817.db2.gz QFQFPCZYOMJNMU-AWEZNQCLSA-N 0 0 349.381 2.985 10 10 EFCERN N=C1/C(=C\c2cccs2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000005731216 279554816 /nfs/dbraw/zinc/55/48/16/279554816.db2.gz OAGMNZMIPKQVRY-IYHDPICYSA-N 0 0 330.316 2.930 10 10 EFCERN CN(c1cccnn1)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180080293 289786266 /nfs/dbraw/zinc/78/62/66/289786266.db2.gz MUQLNJANQMCMCJ-UHFFFAOYSA-N 0 0 332.835 2.936 10 10 EFCERN COC[C@H](C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000012515210 293017382 /nfs/dbraw/zinc/01/73/82/293017382.db2.gz CQJQFCXQQQCFIP-LUHPIMIVSA-N 0 0 336.482 2.989 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272501100 295027136 /nfs/dbraw/zinc/02/71/36/295027136.db2.gz LHTDGDOERJFYTH-SMDDNHRTSA-N 0 0 338.404 2.845 10 10 EFCERN [NH3+][C@@H](CO)c1cc(Br)c(Cl)c(Br)c1[O-] ZINC000072199936 295295459 /nfs/dbraw/zinc/29/54/59/295295459.db2.gz AISMUWGKTKNKTO-YFKPBYRVSA-N 0 0 345.418 2.563 10 10 EFCERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1 ZINC000096003841 473252495 /nfs/dbraw/zinc/25/24/95/473252495.db2.gz NPHOUJLTNAOBSF-UHFFFAOYSA-N 0 0 343.427 2.772 10 10 EFCERN COc1ccncc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096034902 473258421 /nfs/dbraw/zinc/25/84/21/473258421.db2.gz GWSMOTDQXWJXNL-DAXSKMNVSA-N 0 0 339.395 2.579 10 10 EFCERN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@@H]1C ZINC000112377951 473262450 /nfs/dbraw/zinc/26/24/50/473262450.db2.gz QDJYVNCVIPWIOM-QWRGUYRKSA-N 0 0 333.259 2.898 10 10 EFCERN Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000081854332 473267246 /nfs/dbraw/zinc/26/72/46/473267246.db2.gz CZJDWVZSLXEDRH-UHFFFAOYSA-N 0 0 346.402 2.813 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCOCC1 ZINC000083865596 473370655 /nfs/dbraw/zinc/37/06/55/473370655.db2.gz OGFIAAZKFWTPMN-UHFFFAOYSA-N 0 0 341.411 2.893 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccnc3SC)CC2)cc1 ZINC000002629203 471413855 /nfs/dbraw/zinc/41/38/55/471413855.db2.gz GJSYOXXSVXZZMC-UHFFFAOYSA-N 0 0 343.452 2.775 10 10 EFCERN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] ZINC000005743397 471518623 /nfs/dbraw/zinc/51/86/23/471518623.db2.gz YVWABAIMCMHTBR-WNWFYDSVSA-N 0 0 332.320 2.830 10 10 EFCERN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3=O)n2C)cc1 ZINC000006588991 471551787 /nfs/dbraw/zinc/55/17/87/471551787.db2.gz YNESJYPAUPSBQH-UHFFFAOYSA-N 0 0 329.425 2.637 10 10 EFCERN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1ccccc1F ZINC000006606367 471554097 /nfs/dbraw/zinc/55/40/97/471554097.db2.gz LAWJBDHSVUTMFR-UHFFFAOYSA-N 0 0 345.403 2.909 10 10 EFCERN CCc1cccc2c(C3=CCN(c4ccc5nnnn5n4)CC3)c[nH]c21 ZINC000012853288 471800184 /nfs/dbraw/zinc/80/01/84/471800184.db2.gz KDMSHCJBEPFACE-UHFFFAOYSA-N 0 0 345.410 2.857 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCCO2)cc1F ZINC000066978959 471979430 /nfs/dbraw/zinc/97/94/30/471979430.db2.gz VLTJLTIGZKKWFS-OAHLLOKOSA-N 0 0 337.439 2.992 10 10 EFCERN O=C(NCCc1ccsc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786895 472115770 /nfs/dbraw/zinc/11/57/70/472115770.db2.gz ZKCYECVYLFGNDT-UHFFFAOYSA-N 0 0 345.468 2.627 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)c1ccccc1 ZINC000069564869 472370806 /nfs/dbraw/zinc/37/08/06/472370806.db2.gz BUPFELJGDHIENR-UHFFFAOYSA-N 0 0 340.423 2.903 10 10 EFCERN CCc1nnc2n1CCN(C(=O)c1cc(C)n(-c3ccccc3)c1C)C2 ZINC000069616571 472381489 /nfs/dbraw/zinc/38/14/89/472381489.db2.gz DSJYREJQGDMTCC-UHFFFAOYSA-N 0 0 349.438 2.904 10 10 EFCERN CCN(C)c1ccc(CNC(=O)c2c(C)nn(C)c2Cl)cc1F ZINC000069618718 472382373 /nfs/dbraw/zinc/38/23/73/472382373.db2.gz LVKRHRBAKKQGGC-UHFFFAOYSA-N 0 0 338.814 2.907 10 10 EFCERN CCOC(CC)=C1C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC ZINC000045221297 472383911 /nfs/dbraw/zinc/38/39/11/472383911.db2.gz UVDZLHPQWFPJIF-PEZBUJJGSA-N 0 0 334.347 2.792 10 10 EFCERN CC(=O)Nc1cc(NC(=O)NCc2ccc(O)c(O)c2)ccc1C ZINC000089644304 472477998 /nfs/dbraw/zinc/47/79/98/472477998.db2.gz PRSQFZYVSKZNNZ-UHFFFAOYSA-N 0 0 329.356 2.686 10 10 EFCERN CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000154873943 472482627 /nfs/dbraw/zinc/48/26/27/472482627.db2.gz TUFNVSWWSZPGPH-INIZCTEOSA-N 0 0 346.471 2.925 10 10 EFCERN Cc1cc(C(=O)N2CCC([C@@H](C)O)CC2)c(C)n1-c1ccccn1 ZINC000118729973 472505783 /nfs/dbraw/zinc/50/57/83/472505783.db2.gz WEQSNLWXEZVWGH-OAHLLOKOSA-N 0 0 327.428 2.722 10 10 EFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129137007 472524695 /nfs/dbraw/zinc/52/46/95/472524695.db2.gz ORYOVHWEMBCZEH-AWEZNQCLSA-N 0 0 334.416 2.608 10 10 EFCERN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(C)cc1 ZINC000101673402 472548706 /nfs/dbraw/zinc/54/87/06/472548706.db2.gz KOKZXIDYOAQKJV-FOWTUZBSSA-N 0 0 329.396 2.704 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@H](O)COCc1ccccc1 ZINC000119426662 472555807 /nfs/dbraw/zinc/55/58/07/472555807.db2.gz NLRFGMNWMOVPCN-SFHVURJKSA-N 0 0 342.439 2.529 10 10 EFCERN O=C1CCCN1c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000071792525 472565880 /nfs/dbraw/zinc/56/58/80/472565880.db2.gz GHQLSRNRMKPHIY-UHFFFAOYSA-N 0 0 341.367 2.717 10 10 EFCERN CN(C)c1ccc([C@@H]2CC(C(C)(C)C)=Nc3nnnn32)cc1[N+](=O)[O-] ZINC000103056200 472607350 /nfs/dbraw/zinc/60/73/50/472607350.db2.gz IXMPXTZRHFACMW-LBPRGKRZSA-N 0 0 343.391 2.592 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077776915 472608639 /nfs/dbraw/zinc/60/86/39/472608639.db2.gz YPVSNHYHPCEGHW-WMZOPIPTSA-N 0 0 331.460 2.637 10 10 EFCERN COc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1O ZINC000105650217 472766127 /nfs/dbraw/zinc/76/61/27/472766127.db2.gz PFUQYAFWGWWLPX-UHFFFAOYSA-N 0 0 340.423 2.927 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000133163908 472778488 /nfs/dbraw/zinc/77/84/88/472778488.db2.gz TZESPWMHVCDVAU-SKVWCYETSA-N 0 0 334.372 2.521 10 10 EFCERN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)ccc3O)O2)cc1 ZINC000064567310 472863736 /nfs/dbraw/zinc/86/37/36/472863736.db2.gz DBMAZWCVSFZGOJ-SFHVURJKSA-N 0 0 342.351 2.649 10 10 EFCERN c1csc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831526 472995518 /nfs/dbraw/zinc/99/55/18/472995518.db2.gz FBRANZWGBXNTOG-KRWDZBQOSA-N 0 0 345.468 2.553 10 10 EFCERN c1csc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831527 472996325 /nfs/dbraw/zinc/99/63/25/472996325.db2.gz FBRANZWGBXNTOG-QGZVFWFLSA-N 0 0 345.468 2.553 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000122318770 473000223 /nfs/dbraw/zinc/00/02/23/473000223.db2.gz ZIVTYWZWTFUJEU-IBGZPJMESA-N 0 0 328.460 2.630 10 10 EFCERN C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1c([O-])cc(F)cc1F ZINC000108393815 473024580 /nfs/dbraw/zinc/02/45/80/473024580.db2.gz CXCQZQPSKLONPX-JHJVBQTASA-N 0 0 328.403 2.820 10 10 EFCERN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000093735295 473136420 /nfs/dbraw/zinc/13/64/20/473136420.db2.gz NXUAIISDHWWEFS-UHFFFAOYSA-N 0 0 336.501 2.686 10 10 EFCERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159577 473142408 /nfs/dbraw/zinc/14/24/08/473142408.db2.gz COMMBOWNOKMOKN-MRXNPFEDSA-N 0 0 348.443 2.658 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CCSc2n[nH]c(C)n2)cc1 ZINC000081265920 473172116 /nfs/dbraw/zinc/17/21/16/473172116.db2.gz FZMCKVVXNXXJMM-UHFFFAOYSA-N 0 0 347.488 2.758 10 10 EFCERN CCCC[C@H](NC(=O)NCC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000136982922 473189079 /nfs/dbraw/zinc/18/90/79/473189079.db2.gz HWDAFWQRNUWATQ-KRWDZBQOSA-N 0 0 348.491 2.589 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000190971964 473444128 /nfs/dbraw/zinc/44/41/28/473444128.db2.gz TWZXPVRABOQUMF-LLVKDONJSA-N 0 0 336.798 2.733 10 10 EFCERN COc1cccc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)c1O ZINC000185624466 473470900 /nfs/dbraw/zinc/47/09/00/473470900.db2.gz LPYFGBGNBWGYQV-KRWDZBQOSA-N 0 0 344.386 2.521 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)NCCCc2ccccn2)cc1 ZINC000178420118 473509767 /nfs/dbraw/zinc/50/97/67/473509767.db2.gz IJFRTQHWEFBTHZ-UHFFFAOYSA-N 0 0 326.444 2.922 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186057536 473581426 /nfs/dbraw/zinc/58/14/26/473581426.db2.gz UKHBUURIBMCSBO-SFHVURJKSA-N 0 0 346.452 2.787 10 10 EFCERN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000186812559 473760696 /nfs/dbraw/zinc/76/06/96/473760696.db2.gz LQLWCCOMAVHYTF-CYBMUJFWSA-N 0 0 340.379 2.589 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187178513 473831831 /nfs/dbraw/zinc/83/18/31/473831831.db2.gz CQXOEIMQZKWUNH-FQEVSTJZSA-N 0 0 340.423 2.726 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000269898632 473912191 /nfs/dbraw/zinc/91/21/91/473912191.db2.gz SLMVFQKKZFXXCV-SOFGYWHQSA-N 0 0 334.372 2.522 10 10 EFCERN Cc1nccnc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000187796872 473922602 /nfs/dbraw/zinc/92/26/02/473922602.db2.gz HHYWCXIUZMUQBK-CQSZACIVSA-N 0 0 330.407 2.612 10 10 EFCERN COc1cc(O)c(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000180643350 473928834 /nfs/dbraw/zinc/92/88/34/473928834.db2.gz PGAKGXVXKXGEEL-GOSISDBHSA-N 0 0 333.384 2.884 10 10 EFCERN CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@@H]1C ZINC000188099836 473981513 /nfs/dbraw/zinc/98/15/13/473981513.db2.gz OTNZVOWAHXAPOE-GUYCJALGSA-N 0 0 327.428 2.986 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000181149850 474010682 /nfs/dbraw/zinc/01/06/82/474010682.db2.gz FJBWZOHRUUJIFX-VIGJRRFGSA-N 0 0 327.384 2.608 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccncn2)cc1F ZINC000181963457 474071855 /nfs/dbraw/zinc/07/18/55/474071855.db2.gz LRAWXTHUCPOALO-SOFGYWHQSA-N 0 0 328.391 2.792 10 10 EFCERN Cc1noc([C@@H]2COCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000188479976 474106556 /nfs/dbraw/zinc/10/65/56/474106556.db2.gz BEPNYKWSIZNNBA-SFHVURJKSA-N 0 0 342.443 2.942 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000182152769 474110330 /nfs/dbraw/zinc/11/03/30/474110330.db2.gz PRLMRKKFIZWLFS-UHFFFAOYSA-N 0 0 326.396 2.753 10 10 EFCERN CCC[C@@]1(CO)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000289151858 474165820 /nfs/dbraw/zinc/16/58/20/474165820.db2.gz SXSGGHWBXZXMJK-SUQGKYDKSA-N 0 0 348.399 2.770 10 10 EFCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282973926 474260553 /nfs/dbraw/zinc/26/05/53/474260553.db2.gz IWFHJHBQPBQODA-CZUORRHYSA-N 0 0 325.836 2.703 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000283040574 474282648 /nfs/dbraw/zinc/28/26/48/474282648.db2.gz RGWCVJWUEWAABB-UHFFFAOYSA-N 0 0 329.400 2.925 10 10 EFCERN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)sc2nccn12 ZINC000271006454 474363845 /nfs/dbraw/zinc/36/38/45/474363845.db2.gz LCVKATUQNXQQRJ-UHFFFAOYSA-N 0 0 342.424 2.809 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1COC(=O)N1 ZINC000283441303 474404601 /nfs/dbraw/zinc/40/46/01/474404601.db2.gz NJRHLTWUWGQTOW-BBRMVZONSA-N 0 0 340.379 2.590 10 10 EFCERN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266566476 474437150 /nfs/dbraw/zinc/43/71/50/474437150.db2.gz ODYRQXWSGDLZRK-HUUCEWRRSA-N 0 0 325.364 2.583 10 10 EFCERN COCC(=O)N1CCc2c1cccc2NCc1cc(F)ccc1O ZINC000184127699 474475804 /nfs/dbraw/zinc/47/58/04/474475804.db2.gz HWKCLVLXSSROJP-UHFFFAOYSA-N 0 0 330.359 2.679 10 10 EFCERN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O ZINC000248897907 474476978 /nfs/dbraw/zinc/47/69/78/474476978.db2.gz VTVQTOXKTFBPHZ-SOUVJXGZSA-N 0 0 341.835 2.823 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)NCCc1nc(C)no1 ZINC000283724721 474480751 /nfs/dbraw/zinc/48/07/51/474480751.db2.gz WCOYJRGATKCVJQ-UHFFFAOYSA-N 0 0 332.404 2.638 10 10 EFCERN Cc1cc(O)c(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1C ZINC000271330797 474494409 /nfs/dbraw/zinc/49/44/09/474494409.db2.gz NCBPRKGOAMWXML-FUHWJXTLSA-N 0 0 331.412 2.927 10 10 EFCERN Oc1cccc(Cl)c1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271379816 474517497 /nfs/dbraw/zinc/51/74/97/474517497.db2.gz RGYKQEQXWAISSP-WBMJQRKESA-N 0 0 337.803 2.963 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)c1O ZINC000266891437 474518177 /nfs/dbraw/zinc/51/81/77/474518177.db2.gz YMSNEYAYCTTWOZ-HNNXBMFYSA-N 0 0 342.395 2.951 10 10 EFCERN CCOCc1nc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276341 474564006 /nfs/dbraw/zinc/56/40/06/474564006.db2.gz WRZPGELHXCWUGE-GHMZBOCLSA-N 0 0 349.387 2.510 10 10 EFCERN COc1cccc(CNC(=O)Nc2ncn(C3CCCCC3)n2)c1O ZINC000184619818 474564608 /nfs/dbraw/zinc/56/46/08/474564608.db2.gz WRDPJVSNFATKDT-UHFFFAOYSA-N 0 0 345.403 2.819 10 10 EFCERN COc1cc(N(C)Cc2cnc([C@H](C)O)s2)cc(OC)c1OC ZINC000290302879 474565505 /nfs/dbraw/zinc/56/55/05/474565505.db2.gz ICHBRDPSCPHOCR-JTQLQIEISA-N 0 0 338.429 2.859 10 10 EFCERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2ccccc2)O1 ZINC000276571143 474565818 /nfs/dbraw/zinc/56/58/18/474565818.db2.gz KKNYCQKUTZTKDQ-NHYWBVRUSA-N 0 0 331.343 2.839 10 10 EFCERN Cc1ccc2c(c1)/C(=C/c1cnc(N3CCOCC3)s1)C(=O)N2C ZINC000290600675 474579775 /nfs/dbraw/zinc/57/97/75/474579775.db2.gz YTXQFUBOBPMEGU-GDNBJRDFSA-N 0 0 341.436 2.805 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC[C@@H]2C)cc1F ZINC000277416689 474584934 /nfs/dbraw/zinc/58/49/34/474584934.db2.gz IAIVPEWCWUVCAA-BBRMVZONSA-N 0 0 337.439 2.896 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000291005875 474590237 /nfs/dbraw/zinc/59/02/37/474590237.db2.gz UFZYPVUPOLEYGN-HNNXBMFYSA-N 0 0 343.393 2.738 10 10 EFCERN COc1c([O-])c(C[NH+]2CCC(OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278286639 474606687 /nfs/dbraw/zinc/60/66/87/474606687.db2.gz UJQFLBVDEWNAQI-UHFFFAOYSA-N 0 0 338.404 2.946 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N(C)C)nc1 ZINC000272794154 474625634 /nfs/dbraw/zinc/62/56/34/474625634.db2.gz GSKCKMZJVICAEE-UHFFFAOYSA-N 0 0 341.415 2.645 10 10 EFCERN CCN(CC)c1ccc(CNc2nc3c(cnn3C)c(N)n2)cc1F ZINC000278463140 474651292 /nfs/dbraw/zinc/65/12/92/474651292.db2.gz SWDPDRKIPLWKAG-UHFFFAOYSA-N 0 0 343.410 2.543 10 10 EFCERN CCn1ncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000292876964 474691158 /nfs/dbraw/zinc/69/11/58/474691158.db2.gz VHHWPOWFGRGHDS-UHFFFAOYSA-N 0 0 327.432 2.561 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555719 474701351 /nfs/dbraw/zinc/70/13/51/474701351.db2.gz AOHFAVDISHUWFG-DOMZBBRYSA-N 0 0 346.387 2.589 10 10 EFCERN CCOc1ccc(N(CC)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905386 474703437 /nfs/dbraw/zinc/70/34/37/474703437.db2.gz DCHRBSSGGLTWCR-OAHLLOKOSA-N 0 0 340.489 2.583 10 10 EFCERN Cn1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C2CC2)n1 ZINC000292007972 474798064 /nfs/dbraw/zinc/79/80/64/474798064.db2.gz IJLHVYJUACWUKL-UHFFFAOYSA-N 0 0 337.427 2.995 10 10 EFCERN CN(C)c1ccc(CNC(=O)Nc2cn(C)nc2C2CC2)cc1F ZINC000292094171 474843546 /nfs/dbraw/zinc/84/35/46/474843546.db2.gz RAHKRCOZQPXENB-UHFFFAOYSA-N 0 0 331.395 2.824 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3oc(C4CC4)nc3C)CC2)cc1 ZINC000273525159 474944605 /nfs/dbraw/zinc/94/46/05/474944605.db2.gz XNIRUTISARURLP-UHFFFAOYSA-N 0 0 341.411 2.831 10 10 EFCERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(O)c1O ZINC000279025614 474955514 /nfs/dbraw/zinc/95/55/14/474955514.db2.gz CMYXWLSVPZKTSB-GJZGRUSLSA-N 0 0 341.363 2.617 10 10 EFCERN COc1cc(C)cc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1C ZINC000279648878 474983246 /nfs/dbraw/zinc/98/32/46/474983246.db2.gz BDVRIJPXQOUTFV-UHFFFAOYSA-N 0 0 342.395 2.615 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000285393897 475003914 /nfs/dbraw/zinc/00/39/14/475003914.db2.gz SQBQSVUFJMXDPQ-QGZVFWFLSA-N 0 0 339.819 2.630 10 10 EFCERN CC(C)(C)OC(=O)N1CCC(=CC(=O)NCc2ccccc2O)CC1 ZINC000293561522 475040946 /nfs/dbraw/zinc/04/09/46/475040946.db2.gz AUKWPOZWNKJUMA-UHFFFAOYSA-N 0 0 346.427 2.966 10 10 EFCERN Cc1ccc(O)c(CN2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000293960640 475060751 /nfs/dbraw/zinc/06/07/51/475060751.db2.gz PVSNVRSGRZELRE-UHFFFAOYSA-N 0 0 348.443 2.522 10 10 EFCERN CCN(Cc1ccc(C(=O)OC)cn1)c1ccc(OC)c(OC)c1 ZINC000286488492 475066989 /nfs/dbraw/zinc/06/69/89/475066989.db2.gz QJGCILYQNNWWAZ-UHFFFAOYSA-N 0 0 330.384 2.912 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000281090553 475067602 /nfs/dbraw/zinc/06/76/02/475067602.db2.gz PVTBFGNMGAJEGM-BZPMIXESSA-N 0 0 335.400 2.561 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000294768779 475081535 /nfs/dbraw/zinc/08/15/35/475081535.db2.gz QTQFHAIQEMCJHK-WMZOPIPTSA-N 0 0 334.460 2.543 10 10 EFCERN O=C(NC1CCN(c2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000294760159 475081585 /nfs/dbraw/zinc/08/15/85/475081585.db2.gz DYXPSZMAPHZJMZ-UHFFFAOYSA-N 0 0 330.359 2.636 10 10 EFCERN CN(c1ccc(CN2C(=O)N[C@@H](CF)C2=O)cc1)C1CCCCC1 ZINC000287168375 475096431 /nfs/dbraw/zinc/09/64/31/475096431.db2.gz AXMDKZAJAZDQOT-INIZCTEOSA-N 0 0 333.407 2.845 10 10 EFCERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000287301728 475104697 /nfs/dbraw/zinc/10/46/97/475104697.db2.gz JKFPPRHULRRJKF-CQSZACIVSA-N 0 0 334.416 2.656 10 10 EFCERN COC1CCN(c2ccc(Cn3cc([N+](=O)[O-])c(C)n3)cc2)CC1 ZINC000295152398 475107041 /nfs/dbraw/zinc/10/70/41/475107041.db2.gz GDTAOSHXROURNJ-UHFFFAOYSA-N 0 0 330.388 2.763 10 10 EFCERN COC(=O)c1cnc(SCCOC(=O)Cc2ccccc2)s1 ZINC000295165467 475109643 /nfs/dbraw/zinc/10/96/43/475109643.db2.gz HQNNZTJNOXAOOX-UHFFFAOYSA-N 0 0 337.422 2.808 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccn(C)n3)ccc21 ZINC000345709038 475383062 /nfs/dbraw/zinc/38/30/62/475383062.db2.gz IZCODIPNONTOLS-UHFFFAOYSA-N 0 0 340.427 2.568 10 10 EFCERN Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccccc1C ZINC000299136985 476136134 /nfs/dbraw/zinc/13/61/34/476136134.db2.gz XHIODXZJTASPFI-AWEZNQCLSA-N 0 0 337.427 2.813 10 10 EFCERN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373587212 476416032 /nfs/dbraw/zinc/41/60/32/476416032.db2.gz WFLMQHTULHOZPY-KBPBESRZSA-N 0 0 327.808 2.588 10 10 EFCERN Cc1cc(Br)cc(CN2CC(F)(F)C[C@@H]2CO)c1O ZINC000364664235 476538478 /nfs/dbraw/zinc/53/84/78/476538478.db2.gz VMIKDLOQJAKPOX-LLVKDONJSA-N 0 0 336.176 2.665 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374723880 476504113 /nfs/dbraw/zinc/50/41/13/476504113.db2.gz QZXOQTULCWGQDE-MEDUHNTESA-N 0 0 343.826 2.842 10 10 EFCERN CCOc1ccc(O)c(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000378366105 476703051 /nfs/dbraw/zinc/70/30/51/476703051.db2.gz AEJGSNXZKLDMKF-MRXNPFEDSA-N 0 0 331.416 2.704 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000375329146 476782926 /nfs/dbraw/zinc/78/29/26/476782926.db2.gz RGQATFCFCCJLKZ-SFHVURJKSA-N 0 0 331.460 2.853 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000376472628 477352409 /nfs/dbraw/zinc/35/24/09/477352409.db2.gz PMSCKVFIOZBULK-RISCZKNCSA-N 0 0 344.367 2.963 10 10 EFCERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(O)c2O)no1 ZINC000371676808 477438866 /nfs/dbraw/zinc/43/88/66/477438866.db2.gz PCXPSSUXEQCZKE-ZDUSSCGKSA-N 0 0 331.372 2.855 10 10 EFCERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c(O)c1O ZINC000371677216 477439087 /nfs/dbraw/zinc/43/90/87/477439087.db2.gz RTQGGMXDYBCADO-GDBMZVCRSA-N 0 0 327.380 2.914 10 10 EFCERN Cc1cn2c(n1)CN(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000371695880 477451090 /nfs/dbraw/zinc/45/10/90/477451090.db2.gz IHQMWQUEZLKYNY-UHFFFAOYSA-N 0 0 339.443 2.517 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000371734796 477469396 /nfs/dbraw/zinc/46/93/96/477469396.db2.gz PLHGKVDCWCFYBP-OWNNVSBGSA-N 0 0 334.372 2.786 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000368481695 477811358 /nfs/dbraw/zinc/81/13/58/477811358.db2.gz HKBIXDUCNXECSX-ALOPSCKCSA-N 0 0 345.439 2.763 10 10 EFCERN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)c(OC)c1 ZINC000529835605 477847180 /nfs/dbraw/zinc/84/71/80/477847180.db2.gz QTKJDDFDPQNJPA-NSHDSACASA-N 0 0 331.368 2.914 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1O ZINC000528790921 478935865 /nfs/dbraw/zinc/93/58/65/478935865.db2.gz NNFLKQSODBOZSR-HNNXBMFYSA-N 0 0 331.347 2.567 10 10 EFCERN COc1cccc(CNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)c1O ZINC000528863279 478964837 /nfs/dbraw/zinc/96/48/37/478964837.db2.gz UPTUDTCPKABJHP-HNNXBMFYSA-N 0 0 344.411 2.711 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cnn(C2CC2)c1 ZINC000529384851 479143181 /nfs/dbraw/zinc/14/31/81/479143181.db2.gz FMUSQKWPJYOSSI-UHFFFAOYSA-N 0 0 336.189 2.616 10 10 EFCERN CCn1ncc(CNCc2ccc(OCc3ccccc3)cc2O)n1 ZINC000529638151 479232087 /nfs/dbraw/zinc/23/20/87/479232087.db2.gz GVHLDUVTXGRFAR-UHFFFAOYSA-N 0 0 338.411 2.872 10 10 EFCERN Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000529677010 479245181 /nfs/dbraw/zinc/24/51/81/479245181.db2.gz OVTNTMCPEUMKQS-NEPJUHHUSA-N 0 0 329.849 2.506 10 10 EFCERN COc1ccc(N(CC2CC2)C(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000615844689 479768374 /nfs/dbraw/zinc/76/83/74/479768374.db2.gz XUNIZFSOXRVOOE-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN COCCn1c(C)c(C)c2cc(C(=O)NCC3=CCOCC3)ccc21 ZINC000650629988 481226242 /nfs/dbraw/zinc/22/62/42/481226242.db2.gz VQLBXFLHKBXZLE-UHFFFAOYSA-N 0 0 342.439 2.981 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(N)c1Cl ZINC000659284288 481336641 /nfs/dbraw/zinc/33/66/41/481336641.db2.gz GSPMWFUPCIYNCI-UHFFFAOYSA-N 0 0 345.830 2.956 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)[C@H](C)CO)CCCC1 ZINC000651525480 481828675 /nfs/dbraw/zinc/82/86/75/481828675.db2.gz CXBBPDLZKAXZCR-KGLIPLIRSA-N 0 0 344.455 2.662 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)[C@@H]2CCOC2)CCCC1 ZINC000649701407 482198211 /nfs/dbraw/zinc/19/82/11/482198211.db2.gz CFJNAIVPMJNAIW-CQSZACIVSA-N 0 0 342.439 2.776 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000298173181 520901040 /nfs/dbraw/zinc/90/10/40/520901040.db2.gz FYVFHKSCZONDNK-IAGOWNOFSA-N 0 0 333.476 2.883 10 10 EFCERN Cc1nn(C)c(C)c1/C=C\C(=O)NCCCSc1nccs1 ZINC000096035708 527603640 /nfs/dbraw/zinc/60/36/40/527603640.db2.gz JPHUGMLZJAEIMQ-WAYWQWQTSA-N 0 0 336.486 2.805 10 10 EFCERN CCOC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000175050068 528940389 /nfs/dbraw/zinc/94/03/89/528940389.db2.gz DKZXHFFRXVAXRM-HZRUHFOJSA-N 0 0 334.372 2.644 10 10 EFCERN CC1(C)OCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298212989 534991705 /nfs/dbraw/zinc/99/17/05/534991705.db2.gz UWEJNCPKOAYUPK-RDJZCZTQSA-N 0 0 348.443 2.650 10 10 EFCERN CC1(C)[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]2CCO[C@H]21 ZINC000247198721 535057736 /nfs/dbraw/zinc/05/77/36/535057736.db2.gz ZWIBXPJZCFQDMD-KZNAEPCWSA-N 0 0 341.455 2.676 10 10 EFCERN CC(C)(C)c1cnc(Sc2ncc([N+](=O)[O-])cc2C(N)=O)s1 ZINC000268305714 535146316 /nfs/dbraw/zinc/14/63/16/535146316.db2.gz IHKSMOINSJDIDB-UHFFFAOYSA-N 0 0 338.414 2.994 10 10 EFCERN CCc1noc(C)c1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000297762102 535881757 /nfs/dbraw/zinc/88/17/57/535881757.db2.gz MKUGTTAWNLUOEU-UHFFFAOYSA-N 0 0 342.443 2.927 10 10 EFCERN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000366566493 536153844 /nfs/dbraw/zinc/15/38/44/536153844.db2.gz AGYFSIOVQDEFKB-YJBOKZPZSA-N 0 0 337.391 2.504 10 10 EFCERN CN(CCF)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000297870686 536363829 /nfs/dbraw/zinc/36/38/29/536363829.db2.gz IKMAPYIEPXLEEB-LBPRGKRZSA-N 0 0 345.365 2.868 10 10 EFCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)ccc21 ZINC000248886857 536396100 /nfs/dbraw/zinc/39/61/00/536396100.db2.gz SFLRNBOWQVCWRN-IEBWSBKVSA-N 0 0 343.471 2.826 10 10 EFCERN CN(Cc1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301703374 536477214 /nfs/dbraw/zinc/47/72/14/536477214.db2.gz UOVUPRKETSCLFW-UHFFFAOYSA-N 0 0 331.303 2.701 10 10 EFCERN COc1ccc(N2CCCN(C(=O)c3c[nH]nc3C(C)C)CC2)cc1 ZINC000193441345 536672779 /nfs/dbraw/zinc/67/27/79/536672779.db2.gz VQIJOWOYUWXEBC-UHFFFAOYSA-N 0 0 342.443 2.894 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000009322892 536685245 /nfs/dbraw/zinc/68/52/45/536685245.db2.gz IJLGSPUNUGTPPJ-UHFFFAOYSA-N 0 0 339.439 2.770 10 10 EFCERN COc1c(O)c(CN2CCCC[C@@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000365815632 536860826 /nfs/dbraw/zinc/86/08/26/536860826.db2.gz GTKQHQBPMFWRPQ-CYBMUJFWSA-N 0 0 348.359 2.728 10 10 EFCERN Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)O2)c(C)n1-c1ccccc1 ZINC000754265418 575412751 /nfs/dbraw/zinc/41/27/51/575412751.db2.gz YYXPESJYMSMROO-QGZVFWFLSA-N 0 0 341.363 2.526 10 10 EFCERN Cc1ccnc(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)n1 ZINC000756252218 575707600 /nfs/dbraw/zinc/70/76/00/575707600.db2.gz AKOFZFGMTOWNAS-HYXAFXHYSA-N 0 0 339.395 2.616 10 10 EFCERN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756395211 575730262 /nfs/dbraw/zinc/73/02/62/575730262.db2.gz HZEXHPRUWWNSHB-LLVKDONJSA-N 0 0 326.387 2.968 10 10 EFCERN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccn(C)n1 ZINC000756420294 575735733 /nfs/dbraw/zinc/73/57/33/575735733.db2.gz DJYKTPIGARXUOG-MRXNPFEDSA-N 0 0 332.423 2.637 10 10 EFCERN C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756777264 575786165 /nfs/dbraw/zinc/78/61/65/575786165.db2.gz HLDNHBINNAEEBU-MRVPVSSYSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756776823 575786154 /nfs/dbraw/zinc/78/61/54/575786154.db2.gz DUOUJLXEUZHVIN-MRVPVSSYSA-N 0 0 328.185 2.878 10 10 EFCERN C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(F)cc(F)c1O ZINC000756801658 575788051 /nfs/dbraw/zinc/78/80/51/575788051.db2.gz BSFQXUGIIPYQOG-LLVKDONJSA-N 0 0 347.365 2.780 10 10 EFCERN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(F)cc(F)c1O ZINC000756801660 575788086 /nfs/dbraw/zinc/78/80/86/575788086.db2.gz BSFQXUGIIPYQOG-NSHDSACASA-N 0 0 347.365 2.780 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cn[nH]c1 ZINC000757012185 575810794 /nfs/dbraw/zinc/81/07/94/575810794.db2.gz VYLONZRRWWHOES-CYBMUJFWSA-N 0 0 345.472 2.523 10 10 EFCERN Cc1ccc(-c2nnc(COC(=O)c3cccc(O)c3O)o2)cc1 ZINC000758562515 575872852 /nfs/dbraw/zinc/87/28/52/575872852.db2.gz SFPLHASROIYITC-UHFFFAOYSA-N 0 0 326.308 2.813 10 10 EFCERN Cc1ccccc1Cc1nc(COC(=O)c2cccc(O)c2O)no1 ZINC000758572305 575873108 /nfs/dbraw/zinc/87/31/08/575873108.db2.gz JSSLXEUUUMBUML-UHFFFAOYSA-N 0 0 340.335 2.737 10 10 EFCERN COc1cc2c(cc1C(=O)NCc1ccc(N(C)C)c(F)c1)OCO2 ZINC000759023972 575883007 /nfs/dbraw/zinc/88/30/07/575883007.db2.gz WOFJFFLOOGVYBL-UHFFFAOYSA-N 0 0 346.358 2.559 10 10 EFCERN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000759174541 575886285 /nfs/dbraw/zinc/88/62/85/575886285.db2.gz VPKDFGHTORODDD-UONOGXRCSA-N 0 0 344.249 2.747 10 10 EFCERN COC(=O)c1cc(F)ccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759577817 575903810 /nfs/dbraw/zinc/90/38/10/575903810.db2.gz DFJNSTBUFVKEPE-XVNBXDOJSA-N 0 0 346.310 2.780 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(C2CCCC2)no1 ZINC000759588901 575905248 /nfs/dbraw/zinc/90/52/48/575905248.db2.gz PJLSNOCTOMGYAT-SOFGYWHQSA-N 0 0 330.340 2.895 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000760009090 575970819 /nfs/dbraw/zinc/97/08/19/575970819.db2.gz CLWRUGAYFGTFAT-QMMMGPOBSA-N 0 0 340.330 2.955 10 10 EFCERN CC=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O ZINC000761096673 576112992 /nfs/dbraw/zinc/11/29/92/576112992.db2.gz DRHLUFMSDYWZOI-KZSQQDEKSA-N 0 0 345.468 2.626 10 10 EFCERN Cc1ncsc1-c1nc(COC(=O)c2ccc(C)c(O)c2O)no1 ZINC000761131076 576119071 /nfs/dbraw/zinc/11/90/71/576119071.db2.gz KOSBXEIAEKBBJQ-UHFFFAOYSA-N 0 0 347.352 2.578 10 10 EFCERN CC(C)C[C@H]1C(=O)N(Cc2ccc3c(c2)CCCN3C)C(=O)N1C ZINC000761178302 576125706 /nfs/dbraw/zinc/12/57/06/576125706.db2.gz MJBUKAWVDPTRCH-KRWDZBQOSA-N 0 0 329.444 2.878 10 10 EFCERN Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000761355838 576150423 /nfs/dbraw/zinc/15/04/23/576150423.db2.gz MWPRKQVFOSKKGS-PVAVHDDUSA-N 0 0 327.428 2.624 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3ccccn3)cc2N1 ZINC000761886492 576225473 /nfs/dbraw/zinc/22/54/73/576225473.db2.gz ISFHTSXSTPDYCF-CYBMUJFWSA-N 0 0 340.339 2.662 10 10 EFCERN COCc1nnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000763338774 576373430 /nfs/dbraw/zinc/37/34/30/576373430.db2.gz HMJFUAZVLQYFHE-LBPRGKRZSA-N 0 0 334.445 2.694 10 10 EFCERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(C)c(C)cc1O ZINC000763480374 576378774 /nfs/dbraw/zinc/37/87/74/576378774.db2.gz MOLIBCITFIDZQP-QGZVFWFLSA-N 0 0 328.412 2.668 10 10 EFCERN O=C(NCc1noc(C2CC2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000763555864 576381102 /nfs/dbraw/zinc/38/11/02/576381102.db2.gz YDKDTXMZZBIIBF-UHFFFAOYSA-N 0 0 342.399 2.531 10 10 EFCERN Cc1cc(CCNC(=O)C[C@@H]2COC(=O)C2)c(C)n1-c1ccccc1 ZINC000764634732 576482805 /nfs/dbraw/zinc/48/28/05/576482805.db2.gz KHNAOSFBTVCRSR-INIZCTEOSA-N 0 0 340.423 2.706 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000765727871 577070824 /nfs/dbraw/zinc/07/08/24/577070824.db2.gz QGMKXRDSRWFWEA-SNVBAGLBSA-N 0 0 342.233 2.834 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000765727869 577070870 /nfs/dbraw/zinc/07/08/70/577070870.db2.gz QGMKXRDSRWFWEA-JTQLQIEISA-N 0 0 342.233 2.834 10 10 EFCERN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1cccnc1 ZINC000765731023 577071139 /nfs/dbraw/zinc/07/11/39/577071139.db2.gz WVWAYVBJXOOKLM-SNVBAGLBSA-N 0 0 335.201 2.970 10 10 EFCERN C[C@H](C(=O)NCc1cccc(Br)c1O)c1cccnc1 ZINC000765731019 577071177 /nfs/dbraw/zinc/07/11/77/577071177.db2.gz WVWAYVBJXOOKLM-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN CC(C)N(Cc1nnnn1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000766108561 577109235 /nfs/dbraw/zinc/10/92/35/577109235.db2.gz ANXLHUNWBXWKOS-UHFFFAOYSA-N 0 0 330.480 2.905 10 10 EFCERN COc1cccc(N2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)CC2=O)c1 ZINC000725853361 577251182 /nfs/dbraw/zinc/25/11/82/577251182.db2.gz POCXPAOGFPCCKN-MRXNPFEDSA-N 0 0 340.423 2.907 10 10 EFCERN CC(C)Oc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC000768196726 577260454 /nfs/dbraw/zinc/26/04/54/577260454.db2.gz HNRSAVKUGOHWRU-LBPRGKRZSA-N 0 0 330.384 2.641 10 10 EFCERN COc1cccc(O)c1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000768265390 577263601 /nfs/dbraw/zinc/26/36/01/577263601.db2.gz YSVXASBXZHRUJR-UHFFFAOYSA-N 0 0 347.459 2.561 10 10 EFCERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439118 577273413 /nfs/dbraw/zinc/27/34/13/577273413.db2.gz HSJJEEFBRHYUKZ-QGHHPUGFSA-N 0 0 342.351 2.677 10 10 EFCERN Cc1cc(C(=O)COC(=O)C(C)(C)O)c(C)n1-c1ccc(F)cc1 ZINC000725934024 577296952 /nfs/dbraw/zinc/29/69/52/577296952.db2.gz KDOCFNSZFONFOR-UHFFFAOYSA-N 0 0 333.359 2.730 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC2(CCO)CCC2)cc1 ZINC000769033063 577325852 /nfs/dbraw/zinc/32/58/52/577325852.db2.gz IZHAXZFAJLAGSN-UHFFFAOYSA-N 0 0 333.476 2.885 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC2CCC1CC2 ZINC000769042527 577326988 /nfs/dbraw/zinc/32/69/88/577326988.db2.gz VVIBVFNFALHJBY-KVWWFHCMSA-N 0 0 343.471 2.901 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cccc([S@](C)=O)c3)ccc21 ZINC000770226645 577407746 /nfs/dbraw/zinc/40/77/46/577407746.db2.gz FCGKNVOYNAWBLH-DEOSSOPVSA-N 0 0 342.464 2.736 10 10 EFCERN CCN(CC)c1ccc(CN(C)S(=O)(=O)N2CCC[C@@H]2C)cc1 ZINC000770237540 577408254 /nfs/dbraw/zinc/40/82/54/577408254.db2.gz DYIOGNPHXAXVDE-HNNXBMFYSA-N 0 0 339.505 2.694 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC[C@@H]1C ZINC000770239479 577408394 /nfs/dbraw/zinc/40/83/94/577408394.db2.gz BANZQEYVMKCNBS-HNNXBMFYSA-N 0 0 339.505 2.692 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000770285313 577410033 /nfs/dbraw/zinc/41/00/33/577410033.db2.gz FRDMFZGEPRQJQO-MFKMUULPSA-N 0 0 326.780 2.955 10 10 EFCERN CCOc1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770350475 577412245 /nfs/dbraw/zinc/41/22/45/577412245.db2.gz HLCUBSRXFRMXPS-CRAIPNDOSA-N 0 0 347.411 2.708 10 10 EFCERN Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(O)c1O ZINC000727004987 577429063 /nfs/dbraw/zinc/42/90/63/577429063.db2.gz BLRIISQBIJCRBB-NSHDSACASA-N 0 0 347.342 2.580 10 10 EFCERN O=C(Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1)N1CCCC1 ZINC000771016024 581163627 /nfs/dbraw/zinc/16/36/27/581163627.db2.gz NLAIHHIYPRFZDE-UHFFFAOYSA-N 0 0 340.358 2.831 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)c1ccsc1 ZINC000771324786 581198854 /nfs/dbraw/zinc/19/88/54/581198854.db2.gz SSOXFSMRNAGCNB-MRXNPFEDSA-N 0 0 333.457 2.655 10 10 EFCERN CN(Cc1ccccc1O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000772466019 581325952 /nfs/dbraw/zinc/32/59/52/581325952.db2.gz YBOIMJUXUPHFOF-HNNXBMFYSA-N 0 0 339.395 2.660 10 10 EFCERN CCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c1C ZINC000772768481 581365721 /nfs/dbraw/zinc/36/57/21/581365721.db2.gz KJLGQPUPSANKMN-SOFGYWHQSA-N 0 0 343.379 2.975 10 10 EFCERN CNC(=O)c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773248030 581409869 /nfs/dbraw/zinc/40/98/69/581409869.db2.gz SCKARWJAXRZDCI-UHFFFAOYSA-N 0 0 328.803 2.783 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)c1cccc(F)c1 ZINC000773761512 581462620 /nfs/dbraw/zinc/46/26/20/581462620.db2.gz IBCUJWQYTWGTJN-GFCCVEGCSA-N 0 0 345.370 2.947 10 10 EFCERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773988400 581477200 /nfs/dbraw/zinc/47/72/00/581477200.db2.gz KJYWOBKAHRYNPD-YOEHRIQHSA-N 0 0 348.491 2.808 10 10 EFCERN C[C@@H](NC(=O)C(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774497551 581492702 /nfs/dbraw/zinc/49/27/02/581492702.db2.gz IOUBOKNSCGXDKX-CQSZACIVSA-N 0 0 331.460 2.626 10 10 EFCERN COc1c([O-])c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000774904329 581503647 /nfs/dbraw/zinc/50/36/47/581503647.db2.gz QLBDHEJNUHYFGF-KRWDZBQOSA-N 0 0 336.388 2.702 10 10 EFCERN CON(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)cc1C ZINC001750164447 1248917648 /nfs/dbraw/zinc/91/76/48/1248917648.db2.gz SLWCYDKAJPMHRT-UHFFFAOYSA-N 0 0 329.448 2.966 10 10 EFCERN CCCn1c([C@@H](C)OCCOC)nnc1N(C)Cc1ccccc1O ZINC001745655203 1250004663 /nfs/dbraw/zinc/00/46/63/1250004663.db2.gz WISBQRUNOSRSPU-CQSZACIVSA-N 0 0 348.447 2.754 10 10 EFCERN CCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001745672126 1250019144 /nfs/dbraw/zinc/01/91/44/1250019144.db2.gz MPEQXSARNCGPMS-OAHLLOKOSA-N 0 0 330.432 2.924 10 10 EFCERN Cc1cc(N2CC[C@@H](Sc3ncc(Cl)s3)C2=O)n(C)n1 ZINC000850000223 1250215152 /nfs/dbraw/zinc/21/51/52/1250215152.db2.gz MVLCCXCSFCLBQZ-MRVPVSSYSA-N 0 0 328.850 2.736 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000850377287 1250454992 /nfs/dbraw/zinc/45/49/92/1250454992.db2.gz AHWKNLUJNYFBDO-RDJZCZTQSA-N 0 0 328.368 2.963 10 10 EFCERN COc1ccc(N2CC[C@@H](N[C@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489288 1250500814 /nfs/dbraw/zinc/50/08/14/1250500814.db2.gz SMTYJAASHSSWFB-APWZRJJASA-N 0 0 349.438 2.771 10 10 EFCERN C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(F)cc(F)c1[O-] ZINC000850485987 1250501939 /nfs/dbraw/zinc/50/19/39/1250501939.db2.gz PSCKSGMVTRCVCP-JTQLQIEISA-N 0 0 333.400 2.536 10 10 EFCERN CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000850486923 1250503752 /nfs/dbraw/zinc/50/37/52/1250503752.db2.gz WIJQLZAUYKOXOZ-CQSZACIVSA-N 0 0 329.437 2.787 10 10 EFCERN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850497597 1250511655 /nfs/dbraw/zinc/51/16/55/1250511655.db2.gz VYNBISPLIBNTRM-SGWXMTNESA-N 0 0 331.306 2.632 10 10 EFCERN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850503820 1250514068 /nfs/dbraw/zinc/51/40/68/1250514068.db2.gz ZANBBENJNSNIFD-GKSGUAPZSA-N 0 0 329.387 2.887 10 10 EFCERN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(F)cc1[O-] ZINC000850556575 1250534139 /nfs/dbraw/zinc/53/41/39/1250534139.db2.gz HPOSDHLUYWTBHW-MORSLUCNSA-N 0 0 334.435 2.825 10 10 EFCERN C[C@H](COc1c(F)cccc1F)NC(=O)NCCc1ccc(N)cc1 ZINC000851662809 1251190899 /nfs/dbraw/zinc/19/08/99/1251190899.db2.gz KLIILEVNVXGZBE-GFCCVEGCSA-N 0 0 349.381 2.856 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(OCC2CC2)c1 ZINC000588405061 1251534901 /nfs/dbraw/zinc/53/49/01/1251534901.db2.gz MBFXEWNZUQMZNU-XQRVVYSFSA-N 0 0 340.379 2.611 10 10 EFCERN CC[C@@H](C)C(=O)NC[C@@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001746115319 1251561627 /nfs/dbraw/zinc/56/16/27/1251561627.db2.gz ZSNGKJHFTIYPOI-DGCLKSJQSA-N 0 0 347.419 2.520 10 10 EFCERN COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1ccc(C)c(O)c1O ZINC000921579543 1257485152 /nfs/dbraw/zinc/48/51/52/1257485152.db2.gz SGNWOMVYZKNQJZ-UHFFFAOYSA-N 0 0 337.416 2.704 10 10 EFCERN CC(C)Oc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 ZINC000921608038 1257527053 /nfs/dbraw/zinc/52/70/53/1257527053.db2.gz QKZMVUSBWDSDCZ-UHFFFAOYSA-N 0 0 333.363 2.713 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000921641137 1257965560 /nfs/dbraw/zinc/96/55/60/1257965560.db2.gz VTFCIVBZIRDYFS-LYRGGWFBSA-N 0 0 334.391 2.678 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000922523119 1266196452 /nfs/dbraw/zinc/19/64/52/1266196452.db2.gz IENGQLLHJUSGHU-CHWSQXEVSA-N 0 0 330.856 2.854 10 10 EFCERN COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000186262396 1258766635 /nfs/dbraw/zinc/76/66/35/1258766635.db2.gz DRNMLHKZYZKYSM-CYBMUJFWSA-N 0 0 341.411 2.510 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922544594 1266240097 /nfs/dbraw/zinc/24/00/97/1266240097.db2.gz BINUUGRWGXXZCR-PPMAIFSPSA-N 0 0 332.274 2.764 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000186439061 1261097603 /nfs/dbraw/zinc/09/76/03/1261097603.db2.gz HULKNYNZMNXNPD-LBPRGKRZSA-N 0 0 339.391 2.517 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000921696992 1261168521 /nfs/dbraw/zinc/16/85/21/1261168521.db2.gz FDNAZEPWOSLMEC-BNOWGMLFSA-N 0 0 342.461 2.710 10 10 EFCERN Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000803759039 1261187194 /nfs/dbraw/zinc/18/71/94/1261187194.db2.gz FORUFMWCZPMSLO-UHFFFAOYSA-N 0 0 346.452 2.938 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000923347824 1261512530 /nfs/dbraw/zinc/51/25/30/1261512530.db2.gz XRVRPNFBDFXHSL-OAUYIBNBSA-N 0 0 330.334 2.808 10 10 EFCERN O=C(COC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccc(O)c(O)c1 ZINC000923426103 1261634095 /nfs/dbraw/zinc/63/40/95/1261634095.db2.gz NAHLZYKLDGCFBP-CYBMUJFWSA-N 0 0 334.368 2.563 10 10 EFCERN CN(CCOC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000791414106 1278096778 /nfs/dbraw/zinc/09/67/78/1278096778.db2.gz DLSWBWUJNVCEKE-VURMDHGXSA-N 0 0 337.372 2.521 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000923502148 1261781899 /nfs/dbraw/zinc/78/18/99/1261781899.db2.gz XMDXBFCSZYNVTD-WBVHZDCISA-N 0 0 330.359 2.861 10 10 EFCERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C/c1cccnc1 ZINC001128177418 1263224159 /nfs/dbraw/zinc/22/41/59/1263224159.db2.gz FXNGNKKZULYLHP-MDZDMXLPSA-N 0 0 326.352 2.553 10 10 EFCERN C[C@@H]1[C@H](C(F)(F)F)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584538 1278198277 /nfs/dbraw/zinc/19/82/77/1278198277.db2.gz OJISEOGWCONCOX-IUODEOHRSA-N 0 0 343.393 2.642 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824653619 1278217812 /nfs/dbraw/zinc/21/78/12/1278217812.db2.gz CNOJZKOGMVYUQJ-WDMOLILDSA-N 0 0 329.799 2.547 10 10 EFCERN Cc1nc([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)no1 ZINC000922051034 1264219138 /nfs/dbraw/zinc/21/91/38/1264219138.db2.gz IFUQZXHLFHEZIF-IUODEOHRSA-N 0 0 343.431 2.704 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000922055967 1264230703 /nfs/dbraw/zinc/23/07/03/1264230703.db2.gz URWLPUXZYJFSDS-ZDUSSCGKSA-N 0 0 335.448 2.702 10 10 EFCERN CCCN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000715771151 1264940789 /nfs/dbraw/zinc/94/07/89/1264940789.db2.gz SRLYVIISGOQPMZ-GFCCVEGCSA-N 0 0 331.229 2.868 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccnn2C)cc1 ZINC001626072698 1265044033 /nfs/dbraw/zinc/04/40/33/1265044033.db2.gz MRNDEIAHWKBRNH-UHFFFAOYSA-N 0 0 336.395 2.821 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC=C[C@@H]2CO)ccc1C ZINC000922253665 1265122234 /nfs/dbraw/zinc/12/22/34/1265122234.db2.gz DSFOEBJIIYIFDP-GOSISDBHSA-N 0 0 338.407 2.588 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC001168730697 1266479384 /nfs/dbraw/zinc/47/93/84/1266479384.db2.gz PPKARAIRPCICSO-LSDHHAIUSA-N 0 0 330.388 2.927 10 10 EFCERN CO[C@H](CNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000922668139 1266555313 /nfs/dbraw/zinc/55/53/13/1266555313.db2.gz CMAQDTHPYJPMOV-AWEZNQCLSA-N 0 0 332.375 2.588 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000922731032 1266700667 /nfs/dbraw/zinc/70/06/67/1266700667.db2.gz NOIOCRPLIFFUEZ-CXAGYDPISA-N 0 0 345.374 2.646 10 10 EFCERN CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733923965 1266783516 /nfs/dbraw/zinc/78/35/16/1266783516.db2.gz LIAFTKCCOBYQFU-SIFUEBAJSA-N 0 0 343.471 2.607 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000734070180 1266850528 /nfs/dbraw/zinc/85/05/28/1266850528.db2.gz DCKCIVFHCRSHDA-INIZCTEOSA-N 0 0 342.395 2.951 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799781 1278290120 /nfs/dbraw/zinc/29/01/20/1278290120.db2.gz QYPUQGQTUHJULA-IUODEOHRSA-N 0 0 338.404 2.850 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCc2ccc3ccccc3n2)c1 ZINC000734277467 1266933811 /nfs/dbraw/zinc/93/38/11/1266933811.db2.gz DRNVTXXWTLKKTB-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN Cc1cc(C)c(CNC(=O)NCc2ccc(N(C)C)cc2C)c(=O)[nH]1 ZINC000734654857 1267056845 /nfs/dbraw/zinc/05/68/45/1267056845.db2.gz DCMMNYVDVGFGGJ-UHFFFAOYSA-N 0 0 342.443 2.778 10 10 EFCERN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000824853645 1278313641 /nfs/dbraw/zinc/31/36/41/1278313641.db2.gz IJTJQPYESFDBIA-NEPJUHHUSA-N 0 0 342.779 2.775 10 10 EFCERN Cc1cc(CCNC(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC000735756334 1267421369 /nfs/dbraw/zinc/42/13/69/1267421369.db2.gz SNRARULSUABSDP-LJQANCHMSA-N 0 0 341.455 2.803 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000736653113 1267694603 /nfs/dbraw/zinc/69/46/03/1267694603.db2.gz JINRZMSBEZLDHF-CQSZACIVSA-N 0 0 347.381 2.645 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123660 1278419759 /nfs/dbraw/zinc/41/97/59/1278419759.db2.gz BKMUKUIYIQBUQA-JVXZTZIISA-N 0 0 327.705 2.930 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825123661 1278419983 /nfs/dbraw/zinc/41/99/83/1278419983.db2.gz BKMUKUIYIQBUQA-KRTXAFLBSA-N 0 0 327.705 2.930 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(C)(C)O)cc1F ZINC000739002079 1268602901 /nfs/dbraw/zinc/60/29/01/1268602901.db2.gz HUQYMEHKCBUUCC-GFCCVEGCSA-N 0 0 325.428 2.631 10 10 EFCERN COc1ccc(CCC(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001128603935 1268933100 /nfs/dbraw/zinc/93/31/00/1268933100.db2.gz QHAUQSDILDVYKS-UHFFFAOYSA-N 0 0 332.747 2.851 10 10 EFCERN O=S1(=O)CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000825200830 1278460543 /nfs/dbraw/zinc/46/05/43/1278460543.db2.gz GYPIDNYLROMWGJ-RTBURBONSA-N 0 0 348.512 2.828 10 10 EFCERN COc1ccc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC000825305777 1278500372 /nfs/dbraw/zinc/50/03/72/1278500372.db2.gz RLUGROTUHRCXSX-UHFFFAOYSA-N 0 0 333.819 2.771 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCC[C@@H]3O)c2C)cc1 ZINC000742235499 1269946939 /nfs/dbraw/zinc/94/69/39/1269946939.db2.gz QWMKITDKOZLLFW-BEFAXECRSA-N 0 0 342.439 2.994 10 10 EFCERN Cc1nn(CCO)c(NCc2ccc(Br)cc2O)c1C ZINC000825366042 1278523228 /nfs/dbraw/zinc/52/32/28/1278523228.db2.gz QFJPBRGEPXHOHT-UHFFFAOYSA-N 0 0 340.221 2.572 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn3c2C[C@@H](C)CC3)c1 ZINC000843831757 1270052531 /nfs/dbraw/zinc/05/25/31/1270052531.db2.gz RCOMTVRGTSAVFC-RYUDHWBXSA-N 0 0 329.400 2.671 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2ncccc2O)cc1 ZINC000792040718 1278537818 /nfs/dbraw/zinc/53/78/18/1278537818.db2.gz OSFDBFPSYWQVQI-UHFFFAOYSA-N 0 0 328.416 2.633 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@]34C[C@@H]3COC4(C)C)CC2)cc1 ZINC000825425832 1278547414 /nfs/dbraw/zinc/54/74/14/1278547414.db2.gz MALCXSOMDXOICI-JLTOFOAXSA-N 0 0 344.455 2.595 10 10 EFCERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000743437082 1270588817 /nfs/dbraw/zinc/58/88/17/1270588817.db2.gz BRFNHAHJFYOKKE-GFCCVEGCSA-N 0 0 333.409 2.905 10 10 EFCERN C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000743559311 1270632702 /nfs/dbraw/zinc/63/27/02/1270632702.db2.gz GZCOEVWHLPFLGQ-HOTGVXAUSA-N 0 0 331.460 2.853 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)CCC2 ZINC000843527138 1278594481 /nfs/dbraw/zinc/59/44/81/1278594481.db2.gz IBKOZYBAHZXYEF-UHFFFAOYSA-N 0 0 326.444 2.946 10 10 EFCERN CCOC(=O)C1CCC(CC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000843833212 1278599643 /nfs/dbraw/zinc/59/96/43/1278599643.db2.gz ZNLDLBCBYCTQQE-UHFFFAOYSA-N 0 0 349.427 2.777 10 10 EFCERN COc1cccc(CNC(=O)NCc2ccc3ccccc3n2)c1O ZINC000745823640 1271646167 /nfs/dbraw/zinc/64/61/67/1271646167.db2.gz DRFSWQDYPUQKFF-UHFFFAOYSA-N 0 0 337.379 2.948 10 10 EFCERN CCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(OC)cc1 ZINC000746108835 1271790101 /nfs/dbraw/zinc/79/01/01/1271790101.db2.gz FMVMBWFMSWDZKD-ROUUACIJSA-N 0 0 332.444 2.692 10 10 EFCERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(OC)cc1 ZINC000746108836 1271790428 /nfs/dbraw/zinc/79/04/28/1271790428.db2.gz FMVMBWFMSWDZKD-ZWKOTPCHSA-N 0 0 332.444 2.692 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)COc2ccc(O)cc2)cc1 ZINC000746133667 1271809799 /nfs/dbraw/zinc/80/97/99/1271809799.db2.gz HUHABYPPGWOADQ-UHFFFAOYSA-N 0 0 328.412 2.934 10 10 EFCERN C[N@@H+]1CCCC12CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000844214851 1278816480 /nfs/dbraw/zinc/81/64/80/1278816480.db2.gz WHORLHQDZPFNBK-XQRVVYSFSA-N 0 0 345.399 2.757 10 10 EFCERN CC[C@]1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000785846918 1275212647 /nfs/dbraw/zinc/21/26/47/1275212647.db2.gz ZBAWFNWSFQTNAK-BQLWYNFJSA-N 0 0 334.372 2.786 10 10 EFCERN COc1ccc(N(C)CCN(C)Cc2nnc(C3CCC3)n2C)cc1 ZINC000844400607 1278951489 /nfs/dbraw/zinc/95/14/89/1278951489.db2.gz CTKROHYOHAIEGR-UHFFFAOYSA-N 0 0 343.475 2.659 10 10 EFCERN COC(=O)CC1(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCCC1 ZINC000787252448 1275723486 /nfs/dbraw/zinc/72/34/86/1275723486.db2.gz JPLJJHDXCXDROR-CYBMUJFWSA-N 0 0 349.427 2.659 10 10 EFCERN COc1cc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)cc1OC ZINC000787296185 1275737629 /nfs/dbraw/zinc/73/76/29/1275737629.db2.gz JPFWHLKMBXKBHX-UHFFFAOYSA-N 0 0 340.379 2.873 10 10 EFCERN CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(O)cc1 ZINC000787267393 1275739753 /nfs/dbraw/zinc/73/97/53/1275739753.db2.gz MYWMFQQNNBOURT-QGZVFWFLSA-N 0 0 332.375 2.601 10 10 EFCERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000787405113 1275777709 /nfs/dbraw/zinc/77/77/09/1275777709.db2.gz DLTBMMUODHIEEC-LISAXSMJSA-N 0 0 330.428 2.881 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](OC)c2ccc(O)cc2)c1 ZINC000787445285 1275780758 /nfs/dbraw/zinc/78/07/58/1275780758.db2.gz KQWFVRHZKLYUKY-PIGZYNQJSA-N 0 0 331.368 2.671 10 10 EFCERN COc1cc(OC)c2ncnc(NCc3cccc(OC)c3O)c2c1 ZINC000788535798 1276223781 /nfs/dbraw/zinc/22/37/81/1276223781.db2.gz SYEWRMCIOIZDMT-UHFFFAOYSA-N 0 0 341.367 2.973 10 10 EFCERN CC1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 ZINC000788565934 1276225230 /nfs/dbraw/zinc/22/52/30/1276225230.db2.gz PVBALUBRKFVENH-UHFFFAOYSA-N 0 0 337.401 2.648 10 10 EFCERN C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1O ZINC000788606635 1276237710 /nfs/dbraw/zinc/23/77/10/1276237710.db2.gz BFGHXOZQSFIEIU-LBPRGKRZSA-N 0 0 343.402 2.548 10 10 EFCERN CC[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCO1 ZINC000817776483 1276297086 /nfs/dbraw/zinc/29/70/86/1276297086.db2.gz KDFYUAWVGNAZPU-VXGBXAGGSA-N 0 0 329.491 2.882 10 10 EFCERN COc1cccc(CNC(=O)NC[C@H]2CC23CCSCC3)c1O ZINC000817784934 1276326874 /nfs/dbraw/zinc/32/68/74/1276326874.db2.gz FRRITIWFDDBCKG-CYBMUJFWSA-N 0 0 336.457 2.733 10 10 EFCERN CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000817832987 1276333571 /nfs/dbraw/zinc/33/35/71/1276333571.db2.gz IRNTXHBRORSQIX-AWEZNQCLSA-N 0 0 345.487 2.967 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](O)Cc1ccccc1 ZINC001136025295 1276343375 /nfs/dbraw/zinc/34/33/75/1276343375.db2.gz FMHYKHHNOCPGEH-FQEVSTJZSA-N 0 0 338.451 2.849 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[NH2+]CCOC1CCOCC1 ZINC000922928955 1276362873 /nfs/dbraw/zinc/36/28/73/1276362873.db2.gz ZBCOFPPCUVOYLP-UHFFFAOYSA-N 0 0 348.212 2.579 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000788939155 1276423685 /nfs/dbraw/zinc/42/36/85/1276423685.db2.gz JIJBCLBKGUDWDL-MRXNPFEDSA-N 0 0 345.487 2.798 10 10 EFCERN O=C(Cc1cnc2ccccc2c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000788987669 1276428677 /nfs/dbraw/zinc/42/86/77/1276428677.db2.gz APNIGECZSWQURR-UHFFFAOYSA-N 0 0 337.331 2.615 10 10 EFCERN COc1nn(C)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000788984786 1276428981 /nfs/dbraw/zinc/42/89/81/1276428981.db2.gz NKOFOSHQMLIEGG-GFCCVEGCSA-N 0 0 334.395 2.578 10 10 EFCERN Cc1ccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001136122128 1276471430 /nfs/dbraw/zinc/47/14/30/1276471430.db2.gz LYNFTGGBZJIJNF-UHFFFAOYSA-N 0 0 326.356 2.966 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818330154 1276507437 /nfs/dbraw/zinc/50/74/37/1276507437.db2.gz OMTYACCXJBAAMC-XPTSAGLGSA-N 0 0 325.792 2.933 10 10 EFCERN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818361536 1276519111 /nfs/dbraw/zinc/51/91/11/1276519111.db2.gz KWIUPWUIIRQTLK-VXGBXAGGSA-N 0 0 345.226 2.887 10 10 EFCERN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818362588 1276520409 /nfs/dbraw/zinc/52/04/09/1276520409.db2.gz XUJICUXFHQTDMH-GHMZBOCLSA-N 0 0 345.226 2.887 10 10 EFCERN c1cnc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)nc1 ZINC000923010799 1276521436 /nfs/dbraw/zinc/52/14/36/1276521436.db2.gz DBFVMUGHLUWXAE-UHFFFAOYSA-N 0 0 325.412 2.597 10 10 EFCERN CC(C)C[C@H](C[NH2+]Cc1cc(Br)ccc1O)C(=O)[O-] ZINC000818630673 1276541907 /nfs/dbraw/zinc/54/19/07/1276541907.db2.gz ZTHNXNJAIAUWFQ-LLVKDONJSA-N 0 0 330.222 2.991 10 10 EFCERN CCc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1OC ZINC000819007784 1276569588 /nfs/dbraw/zinc/56/95/88/1276569588.db2.gz FKELMCUMSPHRMR-UHFFFAOYSA-N 0 0 340.379 2.932 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C)nc3C)C2)cc1 ZINC000819584037 1276827247 /nfs/dbraw/zinc/82/72/47/1276827247.db2.gz YUBRKGGHRFLQLG-INIZCTEOSA-N 0 0 339.439 2.963 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C)nc3C)C2)cc1 ZINC000819584044 1276828080 /nfs/dbraw/zinc/82/80/80/1276828080.db2.gz YUBRKGGHRFLQLG-MRXNPFEDSA-N 0 0 339.439 2.963 10 10 EFCERN CC(C)[C@@H](F)C(=O)Nc1ccc(O)c(CNC(=O)[C@@H](F)C(C)C)c1 ZINC000923121185 1276827874 /nfs/dbraw/zinc/82/78/74/1276827874.db2.gz VTEOILQRYUAXAB-LSDHHAIUSA-N 0 0 342.386 2.935 10 10 EFCERN CCOC(=O)[C@@H](NCc1cc(Cl)cc(C)c1O)[C@@H]1CCCOC1 ZINC000789581091 1276829528 /nfs/dbraw/zinc/82/95/28/1276829528.db2.gz OJPUMUZFCZUGCQ-DOMZBBRYSA-N 0 0 341.835 2.802 10 10 EFCERN CCOC(=O)[C@@H](NCc1cc(Cl)cc(C)c1O)[C@H]1CCCOC1 ZINC000789581094 1276830339 /nfs/dbraw/zinc/83/03/39/1276830339.db2.gz OJPUMUZFCZUGCQ-WFASDCNBSA-N 0 0 341.835 2.802 10 10 EFCERN CCOC(=O)[C@@H](NCc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC000789581552 1276830748 /nfs/dbraw/zinc/83/07/48/1276830748.db2.gz NURZYVSFGLUZQJ-HNNXBMFYSA-N 0 0 341.835 2.802 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC(C)(C)O3)C2)cc1 ZINC000819587862 1276831012 /nfs/dbraw/zinc/83/10/12/1276831012.db2.gz IGUAMVMWLMACJB-WMLDXEAASA-N 0 0 332.444 2.595 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](O)CC(C)(C)C)C2)cc1 ZINC000819591477 1276833701 /nfs/dbraw/zinc/83/37/01/1276833701.db2.gz SCPTWUKLUIENRV-RDJZCZTQSA-N 0 0 348.487 2.825 10 10 EFCERN CCc1nc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1 ZINC000819591710 1276834910 /nfs/dbraw/zinc/83/49/10/1276834910.db2.gz VXADUZVLULLRFE-CQSZACIVSA-N 0 0 343.427 2.810 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3ccn(C)c3C)C2)cc1 ZINC000819591977 1276836214 /nfs/dbraw/zinc/83/62/14/1276836214.db2.gz ZAAXERCJQHIQIW-HNNXBMFYSA-N 0 0 327.428 2.598 10 10 EFCERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)=C1CCC1 ZINC000819563025 1276841267 /nfs/dbraw/zinc/84/12/67/1276841267.db2.gz KQESDCUUZQTGIG-UHFFFAOYSA-N 0 0 340.345 2.825 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000819680700 1276874901 /nfs/dbraw/zinc/87/49/01/1276874901.db2.gz GNQULUOZHCZOPC-BXUZGUMPSA-N 0 0 349.427 2.989 10 10 EFCERN CC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(C)c1 ZINC001136278632 1276939494 /nfs/dbraw/zinc/93/94/94/1276939494.db2.gz AYZHORXHGAAFAK-HNNXBMFYSA-N 0 0 329.396 2.923 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000789748973 1276985684 /nfs/dbraw/zinc/98/56/84/1276985684.db2.gz DWQIEPSWTLXPKT-UHFFFAOYSA-N 0 0 341.367 2.858 10 10 EFCERN CCc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000789869040 1277066745 /nfs/dbraw/zinc/06/67/45/1277066745.db2.gz HBENZUBYQBWTPH-UHFFFAOYSA-N 0 0 325.412 2.615 10 10 EFCERN COc1nc(Br)ccc1NC(=O)C1=CC(=O)CS1 ZINC000789918762 1277070891 /nfs/dbraw/zinc/07/08/91/1277070891.db2.gz DSEUUMHHGLUPAY-UHFFFAOYSA-N 0 0 329.175 2.872 10 10 EFCERN Cc1cc(CN2CCN(C3CC3)C(=O)C2)ccc1N1CCCCC1 ZINC000827979846 1277132940 /nfs/dbraw/zinc/13/29/40/1277132940.db2.gz XSVMXJOYAZZBAO-UHFFFAOYSA-N 0 0 327.472 2.792 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001136336007 1277148734 /nfs/dbraw/zinc/14/87/34/1277148734.db2.gz XUXWUJDATCMLSU-UHFFFAOYSA-N 0 0 341.459 2.728 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000790018271 1277191010 /nfs/dbraw/zinc/19/10/10/1277191010.db2.gz FYKYQFLUCPBVFU-UHFFFAOYSA-N 0 0 347.484 2.606 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3c(C)noc3C)C2)cc1 ZINC000820698790 1277282701 /nfs/dbraw/zinc/28/27/01/1277282701.db2.gz GNLBRQKRORPUKQ-ZDUSSCGKSA-N 0 0 330.388 2.700 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)C(F)(F)C1CCOCC1 ZINC000790289056 1277399372 /nfs/dbraw/zinc/39/93/72/1277399372.db2.gz CPURAKOGAOFDHI-UHFFFAOYSA-N 0 0 338.398 2.965 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000821064918 1277425399 /nfs/dbraw/zinc/42/53/99/1277425399.db2.gz IPCDYAHKAFLEFJ-MRVWCRGKSA-N 0 0 349.427 2.946 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000821210548 1277484973 /nfs/dbraw/zinc/48/49/73/1277484973.db2.gz PADKTBUWFIOARS-BRWVUGGUSA-N 0 0 348.443 2.650 10 10 EFCERN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2[nH]c(CO)nc2c1 ZINC000585135427 1277496385 /nfs/dbraw/zinc/49/63/85/1277496385.db2.gz JFAMKHFFVDSPQN-UHFFFAOYSA-N 0 0 336.395 2.908 10 10 EFCERN COc1ccc(OC)c(CN(C(=O)c2cccc(O)c2O)C2CC2)c1 ZINC000790524896 1277630159 /nfs/dbraw/zinc/63/01/59/1277630159.db2.gz DOVNNAKUQOXTSI-UHFFFAOYSA-N 0 0 343.379 2.920 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000815073443 1287299165 /nfs/dbraw/zinc/29/91/65/1287299165.db2.gz NIADIHWVHVNVQU-RTBURBONSA-N 0 0 346.471 2.939 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)C(F)(F)C2CCOCC2)c1 ZINC000790787837 1277773871 /nfs/dbraw/zinc/77/38/71/1277773871.db2.gz OLRSURIGRLKIJP-JTQLQIEISA-N 0 0 329.343 2.640 10 10 EFCERN Nc1c(Cl)cc(C(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001175039131 1287300240 /nfs/dbraw/zinc/30/02/40/1287300240.db2.gz VNHZZAWDPKCSKC-UHFFFAOYSA-N 0 0 333.731 2.692 10 10 EFCERN CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000790866508 1277812793 /nfs/dbraw/zinc/81/27/93/1277812793.db2.gz NURGXIPNPUJNRX-NWDGAFQWSA-N 0 0 331.416 2.935 10 10 EFCERN CCCN1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccc(F)cc21 ZINC000791046830 1277928097 /nfs/dbraw/zinc/92/80/97/1277928097.db2.gz FDHOBEHGRKOABE-DAXSKMNVSA-N 0 0 328.391 2.836 10 10 EFCERN CCC1(CC)CN(Cc2ccc(N(C)C)c(C)c2)CCS1(=O)=O ZINC000815096192 1287324160 /nfs/dbraw/zinc/32/41/60/1287324160.db2.gz KFMTUHSWILAGDL-UHFFFAOYSA-N 0 0 338.517 2.850 10 10 EFCERN CC[C@@H](C)CC[C@H](O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000792800026 1279160589 /nfs/dbraw/zinc/16/05/89/1279160589.db2.gz CXVVJOASGXUTMF-AEFFLSMTSA-N 0 0 348.487 2.921 10 10 EFCERN COC1(C[C@H]2NC(=O)N([C@@H](C)c3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844721057 1279198633 /nfs/dbraw/zinc/19/86/33/1279198633.db2.gz WMZDKXSCZUMTKT-XJKSGUPXSA-N 0 0 345.443 2.693 10 10 EFCERN COCc1ccnc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000844837742 1279264382 /nfs/dbraw/zinc/26/43/82/1279264382.db2.gz LLVYCEPGCXBAKX-NSHDSACASA-N 0 0 331.372 2.825 10 10 EFCERN C[C@@H]1[C@@H](C)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000815162843 1287336274 /nfs/dbraw/zinc/33/62/74/1287336274.db2.gz JODFICUHFFTWAL-QWHCGFSZSA-N 0 0 348.402 2.741 10 10 EFCERN COC(=O)CCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844888795 1279316693 /nfs/dbraw/zinc/31/66/93/1279316693.db2.gz IYTCOAFKTHOORL-UHFFFAOYSA-N 0 0 328.796 2.578 10 10 EFCERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000795192540 1287340710 /nfs/dbraw/zinc/34/07/10/1287340710.db2.gz LLKDLNYSFSWUAQ-YUMQZZPRSA-N 0 0 345.277 2.703 10 10 EFCERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845004020 1279381460 /nfs/dbraw/zinc/38/14/60/1279381460.db2.gz VWIGFRSGNMNFPY-CRAIPNDOSA-N 0 0 331.460 2.659 10 10 EFCERN Cc1nc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1C ZINC000793271355 1279490743 /nfs/dbraw/zinc/49/07/43/1279490743.db2.gz NMPVULFBXLMWNY-UHFFFAOYSA-N 0 0 330.392 2.634 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2cn3c(n2)CCCC3)cc1 ZINC000845232634 1279509007 /nfs/dbraw/zinc/50/90/07/1279509007.db2.gz LQHGZEFCZZMONQ-UHFFFAOYSA-N 0 0 340.471 2.925 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)NCC1(CF)CCOCC1 ZINC000845235621 1279511630 /nfs/dbraw/zinc/51/16/30/1279511630.db2.gz XJYLKHMINQFKMT-UHFFFAOYSA-N 0 0 330.787 2.611 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1(CO)CCC1 ZINC000845261854 1279544762 /nfs/dbraw/zinc/54/47/62/1279544762.db2.gz QOVNSVRRJHKGNA-INIZCTEOSA-N 0 0 347.503 2.844 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000845662561 1279773065 /nfs/dbraw/zinc/77/30/65/1279773065.db2.gz WZURCXDDYPWZQZ-QJUZWUIZSA-N 0 0 334.372 2.785 10 10 EFCERN Cc1cc(Cl)cc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000846013313 1279977143 /nfs/dbraw/zinc/97/71/43/1279977143.db2.gz HZIUDLBPPVEJHL-UHFFFAOYSA-N 0 0 332.835 2.914 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045296 1279998248 /nfs/dbraw/zinc/99/82/48/1279998248.db2.gz STVAIDKFMQGRPT-XIKOKIGWSA-N 0 0 346.383 2.695 10 10 EFCERN CCN(CC)c1ccc(CN2CCOC[C@H]2c2ccnn2C)cc1 ZINC000846116949 1280024424 /nfs/dbraw/zinc/02/44/24/1280024424.db2.gz ZGULBBVAERLLSV-IBGZPJMESA-N 0 0 328.460 2.840 10 10 EFCERN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168785 1280045535 /nfs/dbraw/zinc/04/55/35/1280045535.db2.gz VSXIFAYXHNYGJZ-BBRMVZONSA-N 0 0 328.412 2.929 10 10 EFCERN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)n1ccnc1 ZINC000846138286 1280049887 /nfs/dbraw/zinc/04/98/87/1280049887.db2.gz AORQSZPSKUCLLK-JTQLQIEISA-N 0 0 338.205 2.619 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CNc3ccccc3C2)cc1 ZINC000846198919 1280068552 /nfs/dbraw/zinc/06/85/52/1280068552.db2.gz KXMKTNIYYSZFHV-QGZVFWFLSA-N 0 0 338.455 2.931 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846215580 1280071546 /nfs/dbraw/zinc/07/15/46/1280071546.db2.gz LVCPLQAXOUBSBQ-ABAIWWIYSA-N 0 0 343.383 2.727 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1C1CCCCC1)cc2=O ZINC000846237204 1280082120 /nfs/dbraw/zinc/08/21/20/1280082120.db2.gz BNXFQYGGJFSHNF-OAHLLOKOSA-N 0 0 344.415 2.678 10 10 EFCERN Cc1cc(C(=O)N2CCC(C3(O)CC3)CC2)c(C)n1-c1ccccn1 ZINC000846335634 1280121789 /nfs/dbraw/zinc/12/17/89/1280121789.db2.gz QUTULNMQFFCFGK-UHFFFAOYSA-N 0 0 339.439 2.866 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846359149 1280132467 /nfs/dbraw/zinc/13/24/67/1280132467.db2.gz QONNMGHWBDSYRY-SFHVURJKSA-N 0 0 347.798 2.875 10 10 EFCERN CC(C)(C)OC(=O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCC1 ZINC000846432631 1280150011 /nfs/dbraw/zinc/15/00/11/1280150011.db2.gz FVLMOYMSSAQQLN-VURMDHGXSA-N 0 0 347.411 2.882 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000794372430 1280157999 /nfs/dbraw/zinc/15/79/99/1280157999.db2.gz PHFREZRJAZMFMJ-NSHDSACASA-N 0 0 342.399 2.593 10 10 EFCERN COc1ccc(CNC(=O)c2cc3c(cc2O)CCCC3)c(O)c1 ZINC000794381700 1280163443 /nfs/dbraw/zinc/16/34/43/1280163443.db2.gz RQAJJOIWHBTVGV-UHFFFAOYSA-N 0 0 327.380 2.915 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)/C=C/C2(C)CCOCC2)cc1 ZINC000846445461 1280167952 /nfs/dbraw/zinc/16/79/52/1280167952.db2.gz JKXIXVCEUPGXOQ-MDZDMXLPSA-N 0 0 346.471 2.963 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(O)ccc2OC)cc1 ZINC000846442737 1280182054 /nfs/dbraw/zinc/18/20/54/1280182054.db2.gz VPQAOXYWWYWTNG-UHFFFAOYSA-N 0 0 344.411 2.618 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000846487869 1280203418 /nfs/dbraw/zinc/20/34/18/1280203418.db2.gz XWVSEBVHMGUIFL-MZVJPZDCSA-N 0 0 340.379 2.543 10 10 EFCERN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1cccc(C)c1 ZINC000846558860 1280278296 /nfs/dbraw/zinc/27/82/96/1280278296.db2.gz ILCYAYSCGAVSES-UAVUOLJFSA-N 0 0 342.464 2.748 10 10 EFCERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(N(C)C)cc1 ZINC000804622250 1280320585 /nfs/dbraw/zinc/32/05/85/1280320585.db2.gz YIOKBQMLKAJKCM-LLVKDONJSA-N 0 0 330.388 2.908 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCC(F)(c2ccccn2)CC1 ZINC000846652325 1280365619 /nfs/dbraw/zinc/36/56/19/1280365619.db2.gz NAHGELRTYYUJIE-UHFFFAOYSA-N 0 0 334.322 2.733 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)NN2CCCC2)CCCC1 ZINC000846656327 1280369923 /nfs/dbraw/zinc/36/99/23/1280369923.db2.gz XDGKRXSDSPBRSC-UHFFFAOYSA-N 0 0 327.428 2.656 10 10 EFCERN Nc1ccc(Cc2nc(C(=O)N3C[C@H]4[C@@H](C3)C4(F)F)cs2)cc1 ZINC000846698278 1280430566 /nfs/dbraw/zinc/43/05/66/1280430566.db2.gz CXOWAQLTEJBIEO-TXEJJXNPSA-N 0 0 335.379 2.653 10 10 EFCERN COc1ccc(N2CCN(C(=O)/C(C)=C/c3ccccn3)CC2)cc1 ZINC000846768757 1280504570 /nfs/dbraw/zinc/50/45/70/1280504570.db2.gz RGHRVSRVJWMPEO-FOCLMDBBSA-N 0 0 337.423 2.842 10 10 EFCERN CC[C@H](OCCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001144957127 1280580796 /nfs/dbraw/zinc/58/07/96/1280580796.db2.gz WXGUKHVCFOMLJU-SFHVURJKSA-N 0 0 329.396 2.924 10 10 EFCERN CC[C@@H](OCCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001144957126 1280580970 /nfs/dbraw/zinc/58/09/70/1280580970.db2.gz WXGUKHVCFOMLJU-GOSISDBHSA-N 0 0 329.396 2.924 10 10 EFCERN C[C@H]1CSC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805792131 1280771366 /nfs/dbraw/zinc/77/13/66/1280771366.db2.gz QABSFTZSMXSYBE-KWQFWETISA-N 0 0 345.262 2.705 10 10 EFCERN CC[C@@H]1C[C@H]1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000828519371 1281021309 /nfs/dbraw/zinc/02/13/09/1281021309.db2.gz NXOPWEGVWAGSCW-ZWNOBZJWSA-N 0 0 325.792 2.593 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCC1(F)F ZINC000806510858 1281074709 /nfs/dbraw/zinc/07/47/09/1281074709.db2.gz APZOAPJQMZHGQM-OAHLLOKOSA-N 0 0 339.386 2.510 10 10 EFCERN CC(=O)C(=O)COC(=O)CCc1cc(Cl)ccc1Br ZINC000808524975 1281108698 /nfs/dbraw/zinc/10/86/98/1281108698.db2.gz NJFKGZSRCMYRMB-UHFFFAOYSA-N 0 0 347.592 2.736 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCCC[C@H]2CCO)cc1F ZINC000806635955 1281119560 /nfs/dbraw/zinc/11/95/60/1281119560.db2.gz XZOFFHFGVCSQRL-HNNXBMFYSA-N 0 0 337.439 2.728 10 10 EFCERN Cc1cc(CCN2C(=O)N[C@@H](CF)C2=O)c(C)n1-c1ccccc1 ZINC000806672041 1281123415 /nfs/dbraw/zinc/12/34/15/1281123415.db2.gz MCMCUMZBWRPVQK-INIZCTEOSA-N 0 0 329.375 2.527 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)COc2cccc(C)c2)cc1 ZINC001130745229 1281148911 /nfs/dbraw/zinc/14/89/11/1281148911.db2.gz QSUPBYCCVJSJFB-UHFFFAOYSA-N 0 0 342.439 2.977 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000807095509 1281219175 /nfs/dbraw/zinc/21/91/75/1281219175.db2.gz FCSOZTWHSGUAOZ-UHFFFAOYSA-N 0 0 343.471 2.516 10 10 EFCERN CC(C)[C@@H](C)CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807271761 1281268642 /nfs/dbraw/zinc/26/86/42/1281268642.db2.gz LRQXGAMYSFCNGR-HNNXBMFYSA-N 0 0 345.487 2.652 10 10 EFCERN CC(C)[C@H](C)CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807271762 1281268712 /nfs/dbraw/zinc/26/87/12/1281268712.db2.gz LRQXGAMYSFCNGR-OAHLLOKOSA-N 0 0 345.487 2.652 10 10 EFCERN CCc1nc(-c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)n[nH]1 ZINC001147957806 1281376912 /nfs/dbraw/zinc/37/69/12/1281376912.db2.gz WKJIBCDDOMFXIK-UHFFFAOYSA-N 0 0 336.395 2.978 10 10 EFCERN Cn1cc(-c2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)nn1 ZINC001148201760 1281467396 /nfs/dbraw/zinc/46/73/96/1281467396.db2.gz JWTVVIOYXRMYFI-VURMDHGXSA-N 0 0 336.351 2.545 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000808027339 1281505547 /nfs/dbraw/zinc/50/55/47/1281505547.db2.gz JVLNAXOCFMQJNU-UHFFFAOYSA-N 0 0 349.337 2.798 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000808095499 1281534565 /nfs/dbraw/zinc/53/45/65/1281534565.db2.gz HJOOCXCXIWXHQP-UHFFFAOYSA-N 0 0 347.411 2.963 10 10 EFCERN CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000808267043 1281635748 /nfs/dbraw/zinc/63/57/48/1281635748.db2.gz AAECQTYFKJEOHR-QGZVFWFLSA-N 0 0 339.439 2.692 10 10 EFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000808430751 1281726175 /nfs/dbraw/zinc/72/61/75/1281726175.db2.gz JQVKNKJGPCVPLP-LBPRGKRZSA-N 0 0 327.211 2.960 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C ZINC000808517331 1281749158 /nfs/dbraw/zinc/74/91/58/1281749158.db2.gz XRTPJQOCXOKEBK-LBPRGKRZSA-N 0 0 341.363 2.546 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000808526517 1281754093 /nfs/dbraw/zinc/75/40/93/1281754093.db2.gz RTAYZWOIXGDKPR-UHFFFAOYSA-N 0 0 342.395 2.793 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000808535441 1281764665 /nfs/dbraw/zinc/76/46/65/1281764665.db2.gz MCIOQRHFJLVAQZ-UHFFFAOYSA-N 0 0 339.141 2.819 10 10 EFCERN COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809727507 1282407364 /nfs/dbraw/zinc/40/73/64/1282407364.db2.gz LIKQSRAADRZIMQ-UHFFFAOYSA-N 0 0 330.768 2.777 10 10 EFCERN Fc1cc(CN2CCOC[C@H]2CC(F)F)ccc1N1CCOCC1 ZINC000809712421 1282420652 /nfs/dbraw/zinc/42/06/52/1282420652.db2.gz MOAMMAQHMMUQHF-CQSZACIVSA-N 0 0 344.377 2.518 10 10 EFCERN C[C@@H]1COCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805363424 1282943804 /nfs/dbraw/zinc/94/38/04/1282943804.db2.gz COEPDAHKHODZQQ-PRHODGIISA-N 0 0 333.215 2.923 10 10 EFCERN COC(=O)c1c(C)c(NC(=O)NCc2ccccc2O)ccc1F ZINC000810263426 1283081096 /nfs/dbraw/zinc/08/10/96/1283081096.db2.gz MNRKIDUIOBBNHU-UHFFFAOYSA-N 0 0 332.331 2.948 10 10 EFCERN CC(=O)C(=O)COC(=O)C(C)(C)c1ccc(Br)c(C)c1 ZINC000811439707 1284315989 /nfs/dbraw/zinc/31/59/89/1284315989.db2.gz XXVILXVPDQNUCI-UHFFFAOYSA-N 0 0 341.201 2.736 10 10 EFCERN [O-]c1c(F)cc(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715726962 1284318972 /nfs/dbraw/zinc/31/89/72/1284318972.db2.gz WPWTVIUYQSCASJ-GFCCVEGCSA-N 0 0 329.213 2.574 10 10 EFCERN CCN(CC)c1ccc(CN2CCO[C@H](C(=O)C3CC3)C2)cc1F ZINC000811501854 1284383410 /nfs/dbraw/zinc/38/34/10/1284383410.db2.gz AJUSPVSAVZSBIC-SFHVURJKSA-N 0 0 334.435 2.852 10 10 EFCERN Cc1cccc(O)c1CNc1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000952883838 1284908685 /nfs/dbraw/zinc/90/86/85/1284908685.db2.gz RTRUGBYYUWGFLT-UHFFFAOYSA-N 0 0 340.423 2.910 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 ZINC000812497792 1285183755 /nfs/dbraw/zinc/18/37/55/1285183755.db2.gz COVPYPXVOIWAIE-ZWNOBZJWSA-N 0 0 346.349 2.605 10 10 EFCERN Cc1cccc([C@@H](CC(=O)N[C@H](C)c2ccccc2O)NC(N)=O)c1 ZINC001171717078 1285738183 /nfs/dbraw/zinc/73/81/83/1285738183.db2.gz IKUMLTPJWGPXDB-CZUORRHYSA-N 0 0 341.411 2.678 10 10 EFCERN C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)c1ccccc1O ZINC001171722722 1285741081 /nfs/dbraw/zinc/74/10/81/1285741081.db2.gz BRHMQRLCEWIMGT-MNOVXSKESA-N 0 0 326.352 2.603 10 10 EFCERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1O ZINC001171723096 1285741387 /nfs/dbraw/zinc/74/13/87/1285741387.db2.gz MDECOUPZCRKOBF-JTQLQIEISA-N 0 0 328.393 2.927 10 10 EFCERN C[C@H](NC(=O)CCN1CSCCSC1)c1ccccc1O ZINC001171730565 1285747164 /nfs/dbraw/zinc/74/71/64/1285747164.db2.gz OODUJBPPRXUEEZ-LBPRGKRZSA-N 0 0 326.487 2.657 10 10 EFCERN C[C@H](NC(=O)C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000813525615 1285964329 /nfs/dbraw/zinc/96/43/29/1285964329.db2.gz WWGHXOBPTXNVQT-HNAYVOBHSA-N 0 0 326.440 2.924 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2ccnc(OC)c2)cc1 ZINC000822607950 1289044325 /nfs/dbraw/zinc/04/43/25/1289044325.db2.gz PDOHRMZGABVSQN-UHFFFAOYSA-N 0 0 327.428 2.795 10 10 EFCERN Cc1cncc(/C=C/C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)c1 ZINC001133817177 1285993799 /nfs/dbraw/zinc/99/37/99/1285993799.db2.gz DNNLTDOSZRYJNS-NSCUHMNNSA-N 0 0 329.306 2.667 10 10 EFCERN COc1ccc2c(n1)N(C)CCN2C(=O)/C=C/c1ccc(Cl)nc1 ZINC001133970648 1286175719 /nfs/dbraw/zinc/17/57/19/1286175719.db2.gz CXBBPPCJQCDXKY-XBXARRHUSA-N 0 0 344.802 2.635 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000822656035 1289066596 /nfs/dbraw/zinc/06/65/96/1289066596.db2.gz IUDRPGBHMVKBMG-HUUCEWRRSA-N 0 0 342.361 2.932 10 10 EFCERN COc1ccc(N(C)Cc2cnnn2Cc2ccccc2)cc1OC ZINC000814169745 1286372603 /nfs/dbraw/zinc/37/26/03/1286372603.db2.gz MCNKPBNPUPDNOV-UHFFFAOYSA-N 0 0 338.411 2.980 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000822687954 1289082164 /nfs/dbraw/zinc/08/21/64/1289082164.db2.gz IXFPOIBYNYJOFT-ARFHVFGLSA-N 0 0 332.419 2.715 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Cc2cn(C)nc2Cl)cc1 ZINC000814406472 1286583724 /nfs/dbraw/zinc/58/37/24/1286583724.db2.gz YLKGTDHETDXMCD-UHFFFAOYSA-N 0 0 334.851 2.779 10 10 EFCERN Fc1cc(CNc2ccnc3cccnc32)ccc1N1CCOCC1 ZINC000814826204 1287063489 /nfs/dbraw/zinc/06/34/89/1287063489.db2.gz UHJNFSKATZROOS-UHFFFAOYSA-N 0 0 338.386 2.640 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)NCCOC(C)(C)C)C2)cc1 ZINC000822886404 1289137830 /nfs/dbraw/zinc/13/78/30/1289137830.db2.gz FPPHMAIGDCIERM-OAHLLOKOSA-N 0 0 349.475 2.636 10 10 EFCERN Cc1nc(Br)sc1C(=O)NCc1cccc(O)c1O ZINC001176566486 1288042477 /nfs/dbraw/zinc/04/24/77/1288042477.db2.gz YFDFSTJVKNFZEM-UHFFFAOYSA-N 0 0 343.202 2.555 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000822919553 1289153435 /nfs/dbraw/zinc/15/34/35/1289153435.db2.gz LIDPESPFGQNLGB-YJBOKZPZSA-N 0 0 332.444 2.549 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](OC)C3CCCC3)CC2)cc1 ZINC000822919290 1289153523 /nfs/dbraw/zinc/15/35/23/1289153523.db2.gz ILCPBKRBIROLHU-IBGZPJMESA-N 0 0 346.471 2.939 10 10 EFCERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cc(O)ccc1O ZINC001176748354 1288093737 /nfs/dbraw/zinc/09/37/37/1288093737.db2.gz PWKYPZVIMKDGFY-UHFFFAOYSA-N 0 0 345.443 2.816 10 10 EFCERN COc1cc(C(=O)NCc2cc(O)ccc2O)ccc1OC(C)C ZINC001176748000 1288094083 /nfs/dbraw/zinc/09/40/83/1288094083.db2.gz HHTKVEPWTIZPPD-UHFFFAOYSA-N 0 0 331.368 2.824 10 10 EFCERN Cc1nn(CC(=O)NCc2cc(O)ccc2O)cc1-c1ccccc1 ZINC001176755727 1288120954 /nfs/dbraw/zinc/12/09/54/1288120954.db2.gz UHTNSLQHSZEZHQ-UHFFFAOYSA-N 0 0 337.379 2.586 10 10 EFCERN CO[C@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000816654230 1288229399 /nfs/dbraw/zinc/22/93/99/1288229399.db2.gz YRPRVNQSHRMTBY-GWCFXTLKSA-N 0 0 342.233 2.976 10 10 EFCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]1n1cccn1 ZINC000816673428 1288239109 /nfs/dbraw/zinc/23/91/09/1288239109.db2.gz YTGRAYQVUGAWNJ-BMFZPTHFSA-N 0 0 339.798 2.890 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cccc3oc(=O)[nH]c32)cc1 ZINC000816822125 1288289344 /nfs/dbraw/zinc/28/93/44/1288289344.db2.gz ABCFFMHYZZKTRN-UHFFFAOYSA-N 0 0 325.368 2.872 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001135800202 1288391101 /nfs/dbraw/zinc/39/11/01/1288391101.db2.gz AZJBLTGMVRVVER-IAGOWNOFSA-N 0 0 343.471 2.537 10 10 EFCERN CCc1c[nH]c(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001135800722 1288392436 /nfs/dbraw/zinc/39/24/36/1288392436.db2.gz NKBBRDVJFPASCM-UHFFFAOYSA-N 0 0 326.444 2.773 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000817129323 1288429975 /nfs/dbraw/zinc/42/99/75/1288429975.db2.gz GLBKSWYZQQTRIB-DYLGSBMWSA-N 0 0 348.399 2.770 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@@H](OC(C)C)C3)C2)cc1 ZINC000852378084 1299682486 /nfs/dbraw/zinc/68/24/86/1299682486.db2.gz XUNNSYNAQPDDOH-RKVPGOIHSA-N 0 0 347.459 2.529 10 10 EFCERN O[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)Cn1cccn1 ZINC000817572055 1288657922 /nfs/dbraw/zinc/65/79/22/1288657922.db2.gz YQVXRFXVRRPHEX-AWEZNQCLSA-N 0 0 335.835 2.967 10 10 EFCERN Cn1ncc(C(=O)NCc2c(O)cccc2F)c1Cc1ccccc1 ZINC001178412865 1288780288 /nfs/dbraw/zinc/78/02/88/1288780288.db2.gz IOKLVPGQLMUYBW-UHFFFAOYSA-N 0 0 339.370 2.786 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413347 1288780311 /nfs/dbraw/zinc/78/03/11/1288780311.db2.gz QXDOJLMVCLDRLS-CHWSQXEVSA-N 0 0 330.315 2.859 10 10 EFCERN CCc1onc(C)c1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822175153 1288899264 /nfs/dbraw/zinc/89/92/64/1288899264.db2.gz IGJSBHWFCBXVQK-CYBMUJFWSA-N 0 0 344.415 2.954 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)Nn2nnc3c2CCCC3)cc1 ZINC001178804420 1288915464 /nfs/dbraw/zinc/91/54/64/1288915464.db2.gz UJRVAOGDHXWDMA-UHFFFAOYSA-N 0 0 335.411 2.948 10 10 EFCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1-c1ccccn1 ZINC001178910225 1288978249 /nfs/dbraw/zinc/97/82/49/1288978249.db2.gz BKNCWYLQORIGJR-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001178911287 1288978394 /nfs/dbraw/zinc/97/83/94/1288978394.db2.gz LGSYNYZMVFWCRU-UHFFFAOYSA-N 0 0 336.347 2.587 10 10 EFCERN C[C@H]1CCCN(c2cc(C(=O)NCc3c(O)cccc3O)ccn2)C1 ZINC001178912438 1288979364 /nfs/dbraw/zinc/97/93/64/1288979364.db2.gz TXMGQYDTYHJQQG-ZDUSSCGKSA-N 0 0 341.411 2.659 10 10 EFCERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1F ZINC000823543109 1289330253 /nfs/dbraw/zinc/33/02/53/1289330253.db2.gz PNOSVURKNSEGMH-RDTXWAMCSA-N 0 0 349.450 2.537 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000823688667 1289413799 /nfs/dbraw/zinc/41/37/99/1289413799.db2.gz OUVUPTTYSOFJOI-QOKNQOGYSA-N 0 0 343.471 2.867 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 ZINC000823768262 1289445714 /nfs/dbraw/zinc/44/57/14/1289445714.db2.gz RNKFAXBWQKDLMP-BPQIPLTHSA-N 0 0 342.370 2.677 10 10 EFCERN O=C(Cc1ccc2c(c1)NCC2)NCCCSc1nccs1 ZINC000823801998 1289462969 /nfs/dbraw/zinc/46/29/69/1289462969.db2.gz UONALHJZDSKDJA-UHFFFAOYSA-N 0 0 333.482 2.952 10 10 EFCERN CCOC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000823835108 1289464145 /nfs/dbraw/zinc/46/41/45/1289464145.db2.gz SNOCRQDDODKWSG-OAHLLOKOSA-N 0 0 332.444 2.660 10 10 EFCERN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000823834588 1289464169 /nfs/dbraw/zinc/46/41/69/1289464169.db2.gz JYSZBDXWSHVMNU-GJYPPUQNSA-N 0 0 346.471 2.906 10 10 EFCERN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000823834589 1289464297 /nfs/dbraw/zinc/46/42/97/1289464297.db2.gz JYSZBDXWSHVMNU-JTDSTZFVSA-N 0 0 346.471 2.906 10 10 EFCERN CCOC(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823932934 1289495083 /nfs/dbraw/zinc/49/50/83/1289495083.db2.gz HIGIUMPCDYSYRV-UHFFFAOYSA-N 0 0 328.412 2.706 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NOCC1CCC1 ZINC000824098098 1289530562 /nfs/dbraw/zinc/53/05/62/1289530562.db2.gz DBHFDTNJZLVXIE-UHFFFAOYSA-N 0 0 329.194 2.686 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ncc(Br)cn1 ZINC001180419959 1289530844 /nfs/dbraw/zinc/53/08/44/1289530844.db2.gz GWMYFQCWWDGWDG-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000824524153 1289682094 /nfs/dbraw/zinc/68/20/94/1289682094.db2.gz RFOKRBAMVMZFSI-NKGKWGDASA-N 0 0 329.444 2.619 10 10 EFCERN Oc1cc(Br)ccc1CN1CCN(CC(F)F)CC1 ZINC000824633138 1289732559 /nfs/dbraw/zinc/73/25/59/1289732559.db2.gz YGOWPIANLPVYBN-UHFFFAOYSA-N 0 0 335.192 2.537 10 10 EFCERN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637210 1289733549 /nfs/dbraw/zinc/73/35/49/1289733549.db2.gz WSJPWRWUZAZYSJ-APWZRJJASA-N 0 0 331.387 2.701 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OCC)no1 ZINC000825679297 1289870867 /nfs/dbraw/zinc/87/08/67/1289870867.db2.gz PJJYWQSDHMEBKH-UHFFFAOYSA-N 0 0 332.356 2.609 10 10 EFCERN C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)CC(F)F ZINC000825752741 1290418194 /nfs/dbraw/zinc/41/81/94/1290418194.db2.gz ACVPFBKXIWROBD-CYBMUJFWSA-N 0 0 341.402 2.614 10 10 EFCERN Cc1cc(C(=O)Cn2nc(C)oc2=O)c(C)n1-c1cccc(F)c1 ZINC001166509185 1312786711 /nfs/dbraw/zinc/78/67/11/1312786711.db2.gz PLWSTCKIUIBIBU-UHFFFAOYSA-N 0 0 329.331 2.574 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795592869 1290634392 /nfs/dbraw/zinc/63/43/92/1290634392.db2.gz QHXIHNNLKXXTHE-OLMNPRSZSA-N 0 0 332.444 2.516 10 10 EFCERN CC(=O)N(C)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000875821352 1290669059 /nfs/dbraw/zinc/66/90/59/1290669059.db2.gz OXXNRMSNCMYGGE-ZDUSSCGKSA-N 0 0 341.411 2.935 10 10 EFCERN COc1c([O-])c(C[NH2+][C@@H](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000775011748 1290941287 /nfs/dbraw/zinc/94/12/87/1290941287.db2.gz BTLDRTSJPWFOHV-NSHDSACASA-N 0 0 332.356 2.735 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000775028829 1290972410 /nfs/dbraw/zinc/97/24/10/1290972410.db2.gz UBJTYEAZGQBNHS-MRXNPFEDSA-N 0 0 326.393 2.586 10 10 EFCERN CCOc1ccc(NC(=O)NCc2cc(OC)ccc2O)nc1C ZINC000825893122 1290985293 /nfs/dbraw/zinc/98/52/93/1290985293.db2.gz PKSBHCCGUPAEEI-UHFFFAOYSA-N 0 0 331.372 2.825 10 10 EFCERN O=C(COC(=O)c1cc(O)c2ccccc2c1)c1ccc(O)c(O)c1 ZINC000795681797 1291178238 /nfs/dbraw/zinc/17/82/38/1291178238.db2.gz LERGMWWEHLEDNL-UHFFFAOYSA-N 0 0 338.315 2.996 10 10 EFCERN COc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1OC ZINC000795691400 1291216496 /nfs/dbraw/zinc/21/64/96/1291216496.db2.gz LBMDHVJWKQGUHX-LKFCYVNXSA-N 0 0 335.322 2.561 10 10 EFCERN COc1cc(O)c(CNc2cc(C)cc(OCCO)c2)cc1OC ZINC000775206489 1291513321 /nfs/dbraw/zinc/51/33/21/1291513321.db2.gz PVAVUPSUSMKGLC-UHFFFAOYSA-N 0 0 333.384 2.701 10 10 EFCERN COC(=O)[C@@H](CC(C)C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000795932044 1291695343 /nfs/dbraw/zinc/69/53/43/1291695343.db2.gz MGTXNDJJRFCPOV-MRXNPFEDSA-N 0 0 338.423 2.544 10 10 EFCERN Cc1cn(C)nc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000826071735 1291768215 /nfs/dbraw/zinc/76/82/15/1291768215.db2.gz QFFRSGSGCKDMJJ-UHFFFAOYSA-N 0 0 345.472 2.603 10 10 EFCERN COC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795973940 1291816587 /nfs/dbraw/zinc/81/65/87/1291816587.db2.gz DGNAVZGQQXPMNG-CRAIPNDOSA-N 0 0 334.460 2.762 10 10 EFCERN CC[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000795995044 1291843381 /nfs/dbraw/zinc/84/33/81/1291843381.db2.gz UXBXAYFEZDPEIN-MSOLQXFVSA-N 0 0 332.444 2.595 10 10 EFCERN CCc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)o1 ZINC000795995757 1291843532 /nfs/dbraw/zinc/84/35/32/1291843532.db2.gz XITKNHWSDUXNGE-UHFFFAOYSA-N 0 0 343.427 2.953 10 10 EFCERN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1O ZINC000878940738 1291883940 /nfs/dbraw/zinc/88/39/40/1291883940.db2.gz LRMRNGFNLRVAIQ-OAHLLOKOSA-N 0 0 332.379 2.553 10 10 EFCERN COc1cc(NCc2cc(C)cc(Br)c2O)nn1C ZINC000775326417 1291907678 /nfs/dbraw/zinc/90/76/78/1291907678.db2.gz FEPPUCBHTVAKRR-UHFFFAOYSA-N 0 0 326.194 2.817 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1[nH]cnc1C ZINC001137139895 1291920911 /nfs/dbraw/zinc/92/09/11/1291920911.db2.gz BIODTZYLPVIVQZ-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CCO[C@@](C)(C(F)(F)F)C2)c1O ZINC000879505252 1292161407 /nfs/dbraw/zinc/16/14/07/1292161407.db2.gz WTRBEGKASHTQDB-CQSZACIVSA-N 0 0 335.297 2.887 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)COCCO3)c1[O-] ZINC000880542186 1292540143 /nfs/dbraw/zinc/54/01/43/1292540143.db2.gz TZLKDCMLWPERCQ-UHFFFAOYSA-N 0 0 339.819 2.630 10 10 EFCERN CC(=O)c1cc(Cl)cc(Cn2cc(CCC[C@H](C)O)nn2)c1O ZINC000880999078 1292714753 /nfs/dbraw/zinc/71/47/53/1292714753.db2.gz FWKMNZWKGUTZRJ-JTQLQIEISA-N 0 0 337.807 2.592 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)c(OC)c1 ZINC000881054129 1292737117 /nfs/dbraw/zinc/73/71/17/1292737117.db2.gz ITCRHYJAKKJYGI-RDJZCZTQSA-N 0 0 344.455 2.789 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)N3CCCC3)CC2)c1O ZINC000775645488 1293842304 /nfs/dbraw/zinc/84/23/04/1293842304.db2.gz MNQZBHAFJDBGNE-UHFFFAOYSA-N 0 0 337.851 2.687 10 10 EFCERN COCc1cnc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000775646518 1293866659 /nfs/dbraw/zinc/86/66/59/1293866659.db2.gz JLTMMELUDLUDSJ-UHFFFAOYSA-N 0 0 347.484 2.758 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1c(F)c(F)cc(F)c1F ZINC001137201500 1293932241 /nfs/dbraw/zinc/93/22/41/1293932241.db2.gz AAIVQPQSWVQBCQ-UHFFFAOYSA-N 0 0 329.249 2.513 10 10 EFCERN COC(=O)[C@H](Cc1ccccc1)NCc1ccc(N(C)C)c(C)c1 ZINC001195565991 1293970640 /nfs/dbraw/zinc/97/06/40/1293970640.db2.gz DFHOBTLPOKJNCH-SFHVURJKSA-N 0 0 326.440 2.935 10 10 EFCERN C[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000867124412 1294005275 /nfs/dbraw/zinc/00/52/75/1294005275.db2.gz ASGOWDPARYEQBL-WCQYABFASA-N 0 0 332.416 2.778 10 10 EFCERN COc1ccc(N(C)CCN(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC001195789085 1294035812 /nfs/dbraw/zinc/03/58/12/1294035812.db2.gz JSEHQAAQBJLCQW-QGZVFWFLSA-N 0 0 349.519 2.956 10 10 EFCERN COC(=O)c1ccccc1NC(=O)CN(C)c1ccc(OC)cc1 ZINC001195819331 1294049472 /nfs/dbraw/zinc/04/94/72/1294049472.db2.gz YGPQANKYKNRZKW-UHFFFAOYSA-N 0 0 328.368 2.557 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000775679241 1294103813 /nfs/dbraw/zinc/10/38/13/1294103813.db2.gz RUTBONSIXWTCCS-OAHLLOKOSA-N 0 0 342.842 2.871 10 10 EFCERN Cn1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)nn1 ZINC000796343149 1294518521 /nfs/dbraw/zinc/51/85/21/1294518521.db2.gz QKIKGZAOSMNFPE-UHFFFAOYSA-N 0 0 333.439 2.668 10 10 EFCERN CC(=O)c1cc(F)cc(CN2Cc3nc(C4CC4)[nH]c(=O)c3C2)c1O ZINC001197467819 1294558990 /nfs/dbraw/zinc/55/89/90/1294558990.db2.gz GMKLOFGMEDREDQ-UHFFFAOYSA-N 0 0 343.358 2.623 10 10 EFCERN COC[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000886359311 1294888326 /nfs/dbraw/zinc/88/83/26/1294888326.db2.gz ANHIHHAIQOHXSH-OCCSQVGLSA-N 0 0 344.249 2.686 10 10 EFCERN CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001198800477 1295266407 /nfs/dbraw/zinc/26/64/07/1295266407.db2.gz LUYNPOGWKQEZEE-GOSISDBHSA-N 0 0 347.503 2.506 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000867301580 1295417799 /nfs/dbraw/zinc/41/77/99/1295417799.db2.gz ATYOZUSEHHRTMH-NTQSIJHJSA-N 0 0 345.439 2.931 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)NC(C)(C)C)CC2)c1O ZINC000775982600 1295541113 /nfs/dbraw/zinc/54/11/13/1295541113.db2.gz BNVJURMFIFTYGW-UHFFFAOYSA-N 0 0 339.867 2.980 10 10 EFCERN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012385 1295681165 /nfs/dbraw/zinc/68/11/65/1295681165.db2.gz GGVFVARSZYFOAQ-OLZOCXBDSA-N 0 0 345.798 2.727 10 10 EFCERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)CS1)C2 ZINC000890283561 1295932466 /nfs/dbraw/zinc/93/24/66/1295932466.db2.gz RKQDYSISQIYVNL-USWWRNFRSA-N 0 0 338.429 2.724 10 10 EFCERN Cc1cc(CCNC(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000776106174 1296351335 /nfs/dbraw/zinc/35/13/35/1296351335.db2.gz DGHVJMVDYWSMBO-FQEVSTJZSA-N 0 0 341.455 2.803 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NCc2noc3ccc(F)cc23)c1 ZINC001235335199 1313294352 /nfs/dbraw/zinc/29/43/52/1313294352.db2.gz HYWXYKJAQWHHQW-UHFFFAOYSA-N 0 0 329.331 2.980 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776166823 1296795973 /nfs/dbraw/zinc/79/59/73/1296795973.db2.gz DJNKOOWNLOQOLT-ZIAGYGMSSA-N 0 0 335.448 2.845 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000925118713 1296801494 /nfs/dbraw/zinc/80/14/94/1296801494.db2.gz AXSTWVJRMIYEGF-BBRMVZONSA-N 0 0 346.358 2.672 10 10 EFCERN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2c(O)cccc2F)c1C ZINC000928710220 1297125522 /nfs/dbraw/zinc/12/55/22/1297125522.db2.gz QIBAUKYXADFBQF-UHFFFAOYSA-N 0 0 334.347 2.583 10 10 EFCERN CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1F)c1ccc(C)cc1 ZINC000928709456 1297126288 /nfs/dbraw/zinc/12/62/88/1297126288.db2.gz IMRFAEQNZJNSRZ-QGZVFWFLSA-N 0 0 344.386 2.723 10 10 EFCERN Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969977 1297219354 /nfs/dbraw/zinc/21/93/54/1297219354.db2.gz GOUNILJSRIAUTP-AYBZRNKSSA-N 0 0 329.396 2.791 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 ZINC000778325547 1297627796 /nfs/dbraw/zinc/62/77/96/1297627796.db2.gz IUHJHIDRJZRBAA-UHFFFAOYSA-N 0 0 337.427 2.753 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCO[C@H](C)C1 ZINC000779012931 1297743126 /nfs/dbraw/zinc/74/31/26/1297743126.db2.gz KUXIYSMCIMJIDD-OLZOCXBDSA-N 0 0 341.835 2.836 10 10 EFCERN [NH3+]Cc1nc2c(s1)CCN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000903943731 1313460526 /nfs/dbraw/zinc/46/05/26/1313460526.db2.gz AZQOSCXCDDTPHP-UHFFFAOYSA-N 0 0 327.812 2.658 10 10 EFCERN [NH3+][C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000903983869 1313535968 /nfs/dbraw/zinc/53/59/68/1313535968.db2.gz MYFPWYMJYPGLHO-KOLCDFICSA-N 0 0 326.721 2.896 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](OC)C1CCC1 ZINC000851840226 1299427719 /nfs/dbraw/zinc/42/77/19/1299427719.db2.gz COGTVKHIJOQAKA-INIZCTEOSA-N 0 0 341.835 2.836 10 10 EFCERN COCCN(CC[C@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851846836 1299430959 /nfs/dbraw/zinc/43/09/59/1299430959.db2.gz JCMMQHGYLSVHIP-HNNXBMFYSA-N 0 0 339.432 2.698 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000851986904 1299493696 /nfs/dbraw/zinc/49/36/96/1299493696.db2.gz IATHUSUQJNNWGF-IAGOWNOFSA-N 0 0 331.460 2.711 10 10 EFCERN O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000851987786 1299493699 /nfs/dbraw/zinc/49/36/99/1299493699.db2.gz PZIDJMGTTWNOJY-HNNXBMFYSA-N 0 0 339.386 2.510 10 10 EFCERN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988420 1299493712 /nfs/dbraw/zinc/49/37/12/1299493712.db2.gz YHFQDGJQIZQVCN-SFHVURJKSA-N 0 0 344.503 2.959 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000851986906 1299493765 /nfs/dbraw/zinc/49/37/65/1299493765.db2.gz IATHUSUQJNNWGF-SJORKVTESA-N 0 0 331.460 2.711 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3scnc3C)C2)cc1 ZINC000852060130 1299530310 /nfs/dbraw/zinc/53/03/10/1299530310.db2.gz ALYWMNCKOMELIE-ZDUSSCGKSA-N 0 0 346.456 2.538 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCCC3)C2)cc1 ZINC000852062786 1299533500 /nfs/dbraw/zinc/53/35/00/1299533500.db2.gz AYXTWOUXSNVNQK-HNNXBMFYSA-N 0 0 347.459 2.532 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nccn2C)cc1F ZINC000852085196 1299542014 /nfs/dbraw/zinc/54/20/14/1299542014.db2.gz SYMQUHMJCDFFGU-ZDUSSCGKSA-N 0 0 347.438 2.966 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCSC)C2)cc1 ZINC000852121915 1299557082 /nfs/dbraw/zinc/55/70/82/1299557082.db2.gz BDDIZRAOPDLLNA-KGLIPLIRSA-N 0 0 337.489 2.715 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCCC(F)(F)F)C2)cc1 ZINC000852160251 1299572478 /nfs/dbraw/zinc/57/24/78/1299572478.db2.gz CZDWEVDBDOMHBC-LBPRGKRZSA-N 0 0 345.365 2.916 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](OC)C(C)(C)C)C2)cc1 ZINC000852164399 1299573710 /nfs/dbraw/zinc/57/37/10/1299573710.db2.gz YTTSZXGBXROEKK-PBHICJAKSA-N 0 0 349.475 2.634 10 10 EFCERN COc1ccc(N(C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000852208067 1299597230 /nfs/dbraw/zinc/59/72/30/1299597230.db2.gz BMFOXPBRHLEFRX-MRXNPFEDSA-N 0 0 336.432 2.767 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000852225657 1299605902 /nfs/dbraw/zinc/60/59/02/1299605902.db2.gz CBYMMQWAMAJNGY-GJZGRUSLSA-N 0 0 347.459 2.531 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccc[nH]3)C2)cc1 ZINC000852232099 1299608070 /nfs/dbraw/zinc/60/80/70/1299608070.db2.gz MVWKSGVDMZYVEY-ZIAGYGMSSA-N 0 0 328.416 2.662 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CCCCO3)C2)cc1 ZINC000852248049 1299613515 /nfs/dbraw/zinc/61/35/15/1299613515.db2.gz BCQXDSPWOJKYII-QAPCUYQASA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCCCOC(C)C)C2)cc1 ZINC000852249594 1299615557 /nfs/dbraw/zinc/61/55/57/1299615557.db2.gz IONUYUNMVXYXSS-MRXNPFEDSA-N 0 0 349.475 2.778 10 10 EFCERN COCCC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852254236 1299618106 /nfs/dbraw/zinc/61/81/06/1299618106.db2.gz QYUMFYVCTFXSJV-OAHLLOKOSA-N 0 0 349.475 2.636 10 10 EFCERN COC(=O)C[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852260902 1299620984 /nfs/dbraw/zinc/62/09/84/1299620984.db2.gz GHHSWFQDCHGHTI-CJNGLKHVSA-N 0 0 347.459 2.702 10 10 EFCERN COC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852260869 1299621012 /nfs/dbraw/zinc/62/10/12/1299621012.db2.gz FLOTWKLVDPXIPB-KDOFPFPSSA-N 0 0 349.475 2.554 10 10 EFCERN CCSCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852309622 1299647977 /nfs/dbraw/zinc/64/79/77/1299647977.db2.gz DPANXIKKLAFRER-AWEZNQCLSA-N 0 0 337.489 2.716 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1nccn1C ZINC000852384643 1299683588 /nfs/dbraw/zinc/68/35/88/1299683588.db2.gz FSCYOHGSSUVQCY-HUUCEWRRSA-N 0 0 343.475 2.786 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCS[C@H](C)CC3)C2)cc1 ZINC000852451870 1299708833 /nfs/dbraw/zinc/70/88/33/1299708833.db2.gz QJMJREDIDXNFRM-CABCVRRESA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)cc1 ZINC000852450754 1299709260 /nfs/dbraw/zinc/70/92/60/1299709260.db2.gz UROWMXHYCVFOIZ-WBMJQRKESA-N 0 0 339.386 2.618 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H](C)S[C@@H](C)C3)C2)cc1 ZINC000852455061 1299710713 /nfs/dbraw/zinc/71/07/13/1299710713.db2.gz RYDASGJEFCBRQR-QLFBSQMISA-N 0 0 349.500 2.809 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3C3CC3)C2)cc1 ZINC000852455076 1299710801 /nfs/dbraw/zinc/71/08/01/1299710801.db2.gz RMEGFKRLJPDQMH-CRAIPNDOSA-N 0 0 329.444 2.858 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3CSC)C2)cc1 ZINC000852455210 1299711113 /nfs/dbraw/zinc/71/11/13/1299711113.db2.gz SJQKTWHFIPTURG-HOCLYGCPSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3CSC)C2)cc1 ZINC000852455208 1299711252 /nfs/dbraw/zinc/71/12/52/1299711252.db2.gz SJQKTWHFIPTURG-GDBMZVCRSA-N 0 0 349.500 2.811 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000852521271 1299737324 /nfs/dbraw/zinc/73/73/24/1299737324.db2.gz WCIKICKZFRIQOA-RZDIXWSQSA-N 0 0 347.459 2.531 10 10 EFCERN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C ZINC000852688823 1299813626 /nfs/dbraw/zinc/81/36/26/1299813626.db2.gz LDBQMPAFHGVXER-GFCCVEGCSA-N 0 0 328.416 2.565 10 10 EFCERN Nc1ccc(CCNC(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)cc1 ZINC000852796797 1299892190 /nfs/dbraw/zinc/89/21/90/1299892190.db2.gz YBKJOMGPVFVQSY-UHFFFAOYSA-N 0 0 336.395 2.632 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000852967150 1299951738 /nfs/dbraw/zinc/95/17/38/1299951738.db2.gz BGPOKYQRPOVONX-UHFFFAOYSA-N 0 0 341.459 2.770 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCC(=O)NC1 ZINC000853140151 1300021702 /nfs/dbraw/zinc/02/17/02/1300021702.db2.gz FPBJRCOZHVSPFJ-ZDUSSCGKSA-N 0 0 332.425 2.839 10 10 EFCERN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1 ZINC000853244508 1300064107 /nfs/dbraw/zinc/06/41/07/1300064107.db2.gz NATBNNVMDWFRTB-PXAZEXFGSA-N 0 0 341.402 2.707 10 10 EFCERN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1 ZINC000853244510 1300064592 /nfs/dbraw/zinc/06/45/92/1300064592.db2.gz NATBNNVMDWFRTB-SJCJKPOMSA-N 0 0 341.402 2.707 10 10 EFCERN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000853597613 1300184351 /nfs/dbraw/zinc/18/43/51/1300184351.db2.gz KMALALSFVMDHKI-UHFFFAOYSA-N 0 0 339.391 2.551 10 10 EFCERN COc1cc(O)c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1OC ZINC000853614589 1300193976 /nfs/dbraw/zinc/19/39/76/1300193976.db2.gz USUKZWUDAWYTSU-ZYHUDNBSSA-N 0 0 349.349 2.951 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000853749098 1300256747 /nfs/dbraw/zinc/25/67/47/1300256747.db2.gz MMIWFHXAXYQDAW-OAHLLOKOSA-N 0 0 331.460 2.914 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000853749365 1300257227 /nfs/dbraw/zinc/25/72/27/1300257227.db2.gz QKFUBIUVBQMGHC-DNVCBOLYSA-N 0 0 341.455 2.982 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000853749097 1300257257 /nfs/dbraw/zinc/25/72/57/1300257257.db2.gz MMIWFHXAXYQDAW-HNNXBMFYSA-N 0 0 331.460 2.914 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)cc1 ZINC000853759294 1300261656 /nfs/dbraw/zinc/26/16/56/1300261656.db2.gz RNIGWEJORRNECA-CYBMUJFWSA-N 0 0 328.372 2.998 10 10 EFCERN COCc1nc(C)cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000853759133 1300262059 /nfs/dbraw/zinc/26/20/59/1300262059.db2.gz PSXUGKLLLHIAMA-CQSZACIVSA-N 0 0 328.416 2.631 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC000853758692 1300262681 /nfs/dbraw/zinc/26/26/81/1300262681.db2.gz JIGGLUBFQQGXGK-ZDUSSCGKSA-N 0 0 328.372 2.998 10 10 EFCERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853759896 1300262846 /nfs/dbraw/zinc/26/28/46/1300262846.db2.gz DCMOPTVCPDJKCT-CYBMUJFWSA-N 0 0 345.403 2.819 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncnc4onc(C)c43)C2)cc1 ZINC000853761423 1300263778 /nfs/dbraw/zinc/26/37/78/1300263778.db2.gz SVDCNRNZHCCYQD-GFCCVEGCSA-N 0 0 325.372 2.626 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000853803298 1300284470 /nfs/dbraw/zinc/28/44/70/1300284470.db2.gz CQIJOWOUEHHCLC-UMNYSTRASA-N 0 0 348.399 2.768 10 10 EFCERN COC(=O)/C=C\c1ccc(N2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853812797 1300288074 /nfs/dbraw/zinc/28/80/74/1300288074.db2.gz OMXHNYHKWDNCAA-ITQAEIPNSA-N 0 0 346.383 2.644 10 10 EFCERN C[C@@]12COC[C@]1(C)CN(C(=O)NCCCSc1nccs1)C2 ZINC000853854618 1300311191 /nfs/dbraw/zinc/31/11/91/1300311191.db2.gz COYKVJGNZTUFEN-GASCZTMLSA-N 0 0 341.502 2.693 10 10 EFCERN CCCNC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853932521 1300348835 /nfs/dbraw/zinc/34/88/35/1300348835.db2.gz LFMQVZWCSPMMBA-UHFFFAOYSA-N 0 0 328.412 2.706 10 10 EFCERN COC(=O)/C=C/c1ccc(N(C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000853980586 1300373256 /nfs/dbraw/zinc/37/32/56/1300373256.db2.gz ITXVBTDBNQYPIK-GQCTYLIASA-N 0 0 334.397 2.890 10 10 EFCERN C[C@@H](NC(=O)N1CCC[C@@](O)(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000854002998 1300385446 /nfs/dbraw/zinc/38/54/46/1300385446.db2.gz FCXNXVJSRNMRTN-KUHUBIRLSA-N 0 0 331.460 2.760 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CCC(O)CC1 ZINC000854177178 1300462311 /nfs/dbraw/zinc/46/23/11/1300462311.db2.gz SGTJEMIHHCMELH-LYGPFTKASA-N 0 0 347.503 2.842 10 10 EFCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000854198851 1300468661 /nfs/dbraw/zinc/46/86/61/1300468661.db2.gz RMRQJGPNYOUJEV-CRAIPNDOSA-N 0 0 332.444 2.549 10 10 EFCERN C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)cc(F)c1[O-] ZINC000854228484 1300478840 /nfs/dbraw/zinc/47/88/40/1300478840.db2.gz WXEIHHTZDDASHF-NQTXRORDSA-N 0 0 329.213 2.696 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)c2ccccn2)c1 ZINC000854261478 1300493572 /nfs/dbraw/zinc/49/35/72/1300493572.db2.gz CQZJUAQMMRIDKQ-STQMWFEESA-N 0 0 329.400 2.960 10 10 EFCERN COCC1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000854297397 1300504548 /nfs/dbraw/zinc/50/45/48/1300504548.db2.gz RLDSGSUMOWWGLO-HNNXBMFYSA-N 0 0 347.459 2.532 10 10 EFCERN CCC[C@@]1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854297940 1300504931 /nfs/dbraw/zinc/50/49/31/1300504931.db2.gz TWOLJUQIDCTCIE-HNAYVOBHSA-N 0 0 347.459 2.532 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC3(C4(C)CC4)CC3)C2)cc1 ZINC000854298201 1300505236 /nfs/dbraw/zinc/50/52/36/1300505236.db2.gz YEFXKKUPDQJSQQ-AWEZNQCLSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)COC(C)C)C2)cc1 ZINC000854296944 1300505371 /nfs/dbraw/zinc/50/53/71/1300505371.db2.gz HURSDHIOJSGVJT-OAHLLOKOSA-N 0 0 349.475 2.777 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC34CCC(CC3)C4)C2)cc1 ZINC000854298340 1300505452 /nfs/dbraw/zinc/50/54/52/1300505452.db2.gz AUUWSCQCVYIOOS-XAUUPUKJSA-N 0 0 329.444 2.906 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N(C)CCOC(C)(C)C)C2)cc1 ZINC000854300613 1300505883 /nfs/dbraw/zinc/50/58/83/1300505883.db2.gz WVNOWGBZXUSWQE-HNNXBMFYSA-N 0 0 349.475 2.730 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)C[C@H](C)C3)C2)cc1 ZINC000854303175 1300506620 /nfs/dbraw/zinc/50/66/20/1300506620.db2.gz SYGDKYUOAPIEFC-JYJNAYRXSA-N 0 0 331.460 2.961 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccccc2Cn2ccnn2)cc1 ZINC000854323515 1300519336 /nfs/dbraw/zinc/51/93/36/1300519336.db2.gz AZFOHMQATNNWHL-UHFFFAOYSA-N 0 0 349.438 2.665 10 10 EFCERN Cc1cc(CC(=O)NCC2([S@@](C)=O)CC2)c(C)n1-c1ccccc1 ZINC000854338246 1300524979 /nfs/dbraw/zinc/52/49/79/1300524979.db2.gz QEXSORMAZAAGNJ-XMMPIXPASA-N 0 0 344.480 2.664 10 10 EFCERN CO[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000854442299 1300568969 /nfs/dbraw/zinc/56/89/69/1300568969.db2.gz MWZZAOOJOHVWCI-CQSZACIVSA-N 0 0 342.233 2.976 10 10 EFCERN CC1(C)OC[C@H]2C[C@]21C(=O)NCc1cc(Br)ccc1O ZINC000854442327 1300569045 /nfs/dbraw/zinc/56/90/45/1300569045.db2.gz OEHXDOXJMOJRPL-MEBBXXQBSA-N 0 0 340.217 2.586 10 10 EFCERN CO[C@@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000854442290 1300569051 /nfs/dbraw/zinc/56/90/51/1300569051.db2.gz MQNHYQFEMLZBGU-BXKDBHETSA-N 0 0 328.206 2.586 10 10 EFCERN COCOCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854763551 1300690445 /nfs/dbraw/zinc/69/04/45/1300690445.db2.gz WBIMNAXZVZEWOJ-UHFFFAOYSA-N 0 0 330.428 2.763 10 10 EFCERN CC1(C)CC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854905750 1300731540 /nfs/dbraw/zinc/73/15/40/1300731540.db2.gz DFMSWLJFCJJFTR-CYBMUJFWSA-N 0 0 338.398 2.854 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000854947533 1300746132 /nfs/dbraw/zinc/74/61/32/1300746132.db2.gz AHXHMCDPORMNFK-YYFZDKIDSA-N 0 0 330.472 2.923 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)[C@@H]2CCCO2)cc1 ZINC000855020440 1300766196 /nfs/dbraw/zinc/76/61/96/1300766196.db2.gz PKKKXYPLGVYVMB-YJBOKZPZSA-N 0 0 334.460 2.795 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)n3ccc(C)n3)C2)cc1 ZINC000855223071 1300845156 /nfs/dbraw/zinc/84/51/56/1300845156.db2.gz DWWFKVRVKMAXRQ-CVEARBPZSA-N 0 0 342.443 2.546 10 10 EFCERN CCc1cncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855223431 1300845319 /nfs/dbraw/zinc/84/53/19/1300845319.db2.gz GXABBCRFHNQYCS-INIZCTEOSA-N 0 0 325.412 2.661 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C/c3ccccn3)C2)cc1 ZINC000855223303 1300845396 /nfs/dbraw/zinc/84/53/96/1300845396.db2.gz GLPXIMNCMVCFBK-LCJXNMAOSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc[nH]c3C3CC3)C2)cc1 ZINC000855223421 1300845447 /nfs/dbraw/zinc/84/54/47/1300845447.db2.gz GVDPVKXGNMEQFX-AWEZNQCLSA-N 0 0 325.412 2.909 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COCC3CCCC3)C2)cc1 ZINC000855223105 1300845700 /nfs/dbraw/zinc/84/57/00/1300845700.db2.gz DYXDCICLAHKNOH-INIZCTEOSA-N 0 0 332.444 2.597 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3ccncc3C)C2)cc1 ZINC000855224298 1300847107 /nfs/dbraw/zinc/84/71/07/1300847107.db2.gz FDBSERQIGONHTL-DLGAGEGBSA-N 0 0 337.423 2.807 10 10 EFCERN CCC1=C(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000855223848 1300847384 /nfs/dbraw/zinc/84/73/84/1300847384.db2.gz IKGDHSQZPNLIOA-AWEZNQCLSA-N 0 0 330.428 2.865 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3nc(C)sc3C)C2)cc1 ZINC000855224781 1300847418 /nfs/dbraw/zinc/84/74/18/1300847418.db2.gz LGGGMBDZVFDEFU-ZDUSSCGKSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)cc1 ZINC000855224528 1300847555 /nfs/dbraw/zinc/84/75/55/1300847555.db2.gz LMIPOWPGHFMTPM-AWEZNQCLSA-N 0 0 342.443 2.655 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3nc(C)cs3)C2)cc1 ZINC000855226931 1300848490 /nfs/dbraw/zinc/84/84/90/1300848490.db2.gz UXFZBMLUJISWBS-AWEZNQCLSA-N 0 0 345.468 2.788 10 10 EFCERN CCc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855227325 1300848730 /nfs/dbraw/zinc/84/87/30/1300848730.db2.gz VKOAWSZHIFKNDQ-ZDUSSCGKSA-N 0 0 329.400 2.563 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3onc4c3CCCC4)C2)cc1 ZINC000855226672 1300848949 /nfs/dbraw/zinc/84/89/49/1300848949.db2.gz PQFZGYZVAMPNRJ-CYBMUJFWSA-N 0 0 341.411 2.571 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(F)ccc(O)c3F)C2)cc1 ZINC000855226930 1300849066 /nfs/dbraw/zinc/84/90/66/1300849066.db2.gz UVOBSDJHHJKDBU-NSHDSACASA-N 0 0 348.349 2.688 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@@H](OC)C3)C2)cc1 ZINC000855226527 1300849510 /nfs/dbraw/zinc/84/95/10/1300849510.db2.gz QFXCBSNKEMOEHS-JTDSTZFVSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000855229296 1300850099 /nfs/dbraw/zinc/85/00/99/1300850099.db2.gz MHCSHJDSRLSEAG-OAHLLOKOSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCCC[C@H]3C)C2)cc1 ZINC000855230307 1300850190 /nfs/dbraw/zinc/85/01/90/1300850190.db2.gz GAAAJEQMDIVKOF-JTDSTZFVSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3F)C2)cc1 ZINC000855230329 1300850465 /nfs/dbraw/zinc/85/04/65/1300850465.db2.gz VJSFNRVQWNTTPE-AWEZNQCLSA-N 0 0 344.386 2.608 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCC[C@H](C)C3)C2)cc1 ZINC000855229582 1300850736 /nfs/dbraw/zinc/85/07/36/1300850736.db2.gz BABIYETXTJGESY-TXPKVOOTSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000855229658 1300850933 /nfs/dbraw/zinc/85/09/33/1300850933.db2.gz LDXNQLXZDVSHGR-SWLSCSKDSA-N 0 0 343.427 2.799 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)cc1 ZINC000855230231 1300850964 /nfs/dbraw/zinc/85/09/64/1300850964.db2.gz UZIPQMQEIIEJOS-CYBMUJFWSA-N 0 0 332.350 2.982 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4nccnc4c3)C2)cc1 ZINC000855229535 1300851226 /nfs/dbraw/zinc/85/12/26/1300851226.db2.gz PBMIHAPLVLBRKK-HNNXBMFYSA-N 0 0 348.406 2.647 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3F)C2)cc1 ZINC000855230331 1300851367 /nfs/dbraw/zinc/85/13/67/1300851367.db2.gz VJSFNRVQWNTTPE-CQSZACIVSA-N 0 0 344.386 2.608 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(O)c3)C2)cc1 ZINC000855231788 1300852230 /nfs/dbraw/zinc/85/22/30/1300852230.db2.gz MCOPIKKLPZJVEG-HNNXBMFYSA-N 0 0 326.396 2.718 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3O)C2)cc1 ZINC000855232587 1300852521 /nfs/dbraw/zinc/85/25/21/1300852521.db2.gz SGAWLNLVPSVYPH-CQSZACIVSA-N 0 0 326.396 2.718 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(F)c3F)C2)cc1 ZINC000855231648 1300853001 /nfs/dbraw/zinc/85/30/01/1300853001.db2.gz XNIDWPNRLXMUQU-LBPRGKRZSA-N 0 0 332.350 2.982 10 10 EFCERN CCn1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000855231766 1300853286 /nfs/dbraw/zinc/85/32/86/1300853286.db2.gz YBRKARJLLGSNRC-HNNXBMFYSA-N 0 0 342.443 2.537 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(N(C)C)c3)C2)cc1 ZINC000855234575 1300853885 /nfs/dbraw/zinc/85/38/85/1300853885.db2.gz FMQFKZJAALRJQU-INIZCTEOSA-N 0 0 339.439 2.770 10 10 EFCERN COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855235125 1300853903 /nfs/dbraw/zinc/85/39/03/1300853903.db2.gz XZDRMZWEOIAWMR-INIZCTEOSA-N 0 0 340.423 2.641 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccccc3F)C2)cc1 ZINC000855234742 1300854596 /nfs/dbraw/zinc/85/45/96/1300854596.db2.gz LLAFVMWCCYSVDF-HNNXBMFYSA-N 0 0 328.387 2.772 10 10 EFCERN Cc1cc2c(cc1C)N(S(=O)(=O)c1cccc3nonc31)CC2 ZINC000795375614 1300858050 /nfs/dbraw/zinc/85/80/50/1300858050.db2.gz NRVRTVSSNVFIKV-UHFFFAOYSA-N 0 0 329.381 2.591 10 10 EFCERN CO[C@@]1(CO)CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000855441404 1300957854 /nfs/dbraw/zinc/95/78/54/1300957854.db2.gz HBBULFKZTRJNCF-FQEVSTJZSA-N 0 0 342.439 2.708 10 10 EFCERN Cc1cc(C(=O)NCCO[C@@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000855610701 1301033534 /nfs/dbraw/zinc/03/35/34/1301033534.db2.gz RHTHGGNOYHGWNF-CQSZACIVSA-N 0 0 335.354 2.643 10 10 EFCERN Cc1cc(C(=O)N2CCC[C@](O)(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000855694959 1301061715 /nfs/dbraw/zinc/06/17/15/1301061715.db2.gz VPQHLMPRPQXGRM-HXUWFJFHSA-N 0 0 339.439 2.866 10 10 EFCERN COc1ccc(N2CCN(Cc3cc(CO)ccc3F)CC2)cc1F ZINC000859161526 1301393900 /nfs/dbraw/zinc/39/39/00/1301393900.db2.gz OMMKVSAHVQMPED-UHFFFAOYSA-N 0 0 348.393 2.788 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCCOC1 ZINC000859251968 1301410700 /nfs/dbraw/zinc/41/07/00/1301410700.db2.gz JQVVWOICRIUGAZ-INIZCTEOSA-N 0 0 326.396 2.815 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000859319066 1301430367 /nfs/dbraw/zinc/43/03/67/1301430367.db2.gz LKTITDPRAMJXLI-MRXNPFEDSA-N 0 0 344.455 2.993 10 10 EFCERN COC(=O)c1cnc(CN(CC2CC2)c2ccc(OC)cc2)cn1 ZINC000859325109 1301433925 /nfs/dbraw/zinc/43/39/25/1301433925.db2.gz RFTOSKHBBQHVGL-UHFFFAOYSA-N 0 0 327.384 2.688 10 10 EFCERN C[C@@]1(Br)C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000859352070 1301439688 /nfs/dbraw/zinc/43/96/88/1301439688.db2.gz MCDYNQFYMKDKBC-LDYMZIIASA-N 0 0 335.292 2.915 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCC12CC2 ZINC000859734133 1301557220 /nfs/dbraw/zinc/55/72/20/1301557220.db2.gz LIFSYRFFSXNDCC-INIZCTEOSA-N 0 0 346.446 2.983 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000860049292 1301685156 /nfs/dbraw/zinc/68/51/56/1301685156.db2.gz STJVHTMHKQMVEN-HNNXBMFYSA-N 0 0 327.428 2.898 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860234253 1301749597 /nfs/dbraw/zinc/74/95/97/1301749597.db2.gz DCPGJVDGIHUYQQ-BMGDILEWSA-N 0 0 343.810 2.996 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)n[nH]2)cc1F ZINC000861383277 1302117795 /nfs/dbraw/zinc/11/77/95/1302117795.db2.gz ARBVHDYWQPUVGB-UHFFFAOYSA-N 0 0 335.383 2.725 10 10 EFCERN COc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cnc1OC ZINC000861417068 1302128669 /nfs/dbraw/zinc/12/86/69/1302128669.db2.gz QIWNWDDKUMUPOL-UHFFFAOYSA-N 0 0 348.378 2.626 10 10 EFCERN COc1cnc(F)c(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000861589586 1302161496 /nfs/dbraw/zinc/16/14/96/1302161496.db2.gz BWPPCHFOURZEEH-UHFFFAOYSA-N 0 0 344.390 2.933 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000862010567 1302264722 /nfs/dbraw/zinc/26/47/22/1302264722.db2.gz ZZIYAQWGOBFODZ-UWUNEBHHSA-N 0 0 326.396 2.550 10 10 EFCERN CCn1nnc(C)c1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000862081726 1302280162 /nfs/dbraw/zinc/28/01/62/1302280162.db2.gz HKGQWCUJSHAHHR-UHFFFAOYSA-N 0 0 337.427 2.944 10 10 EFCERN C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000862226225 1302313819 /nfs/dbraw/zinc/31/38/19/1302313819.db2.gz WVQIQUABZHWOAN-LBPRGKRZSA-N 0 0 344.377 2.852 10 10 EFCERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862233981 1302316212 /nfs/dbraw/zinc/31/62/12/1302316212.db2.gz ZCMUOQDJPYIBDQ-INIZCTEOSA-N 0 0 339.430 2.864 10 10 EFCERN OCC1(c2ccccc2)CN(Cc2c(O)cccc2Br)C1 ZINC000862394018 1302365928 /nfs/dbraw/zinc/36/59/28/1302365928.db2.gz BLZAYCYLNLKACC-UHFFFAOYSA-N 0 0 348.240 2.901 10 10 EFCERN C[C@](CO)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000862432802 1302383656 /nfs/dbraw/zinc/38/36/56/1302383656.db2.gz NSTYXFXGDVPUKZ-MRXNPFEDSA-N 0 0 325.767 2.888 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000862650037 1302432472 /nfs/dbraw/zinc/43/24/72/1302432472.db2.gz ASWCMNMZGKOCEL-RBUKOAKNSA-N 0 0 342.439 2.672 10 10 EFCERN CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000863163460 1302545564 /nfs/dbraw/zinc/54/55/64/1302545564.db2.gz DUEQCKBHBIMPMG-QFBILLFUSA-N 0 0 342.439 2.762 10 10 EFCERN COc1ccc(F)c(OC)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573259 1302983281 /nfs/dbraw/zinc/98/32/81/1302983281.db2.gz HPBPAOFLYFAFPB-UHFFFAOYSA-N 0 0 332.375 2.839 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cccn(C(C)(C)C)c2=O)cc1 ZINC000864573884 1302983547 /nfs/dbraw/zinc/98/35/47/1302983547.db2.gz TVGAXQWPNZIZAS-UHFFFAOYSA-N 0 0 327.428 2.599 10 10 EFCERN CCO[C@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)[C@@H]1CCOC1 ZINC000864636589 1303007889 /nfs/dbraw/zinc/00/78/89/1303007889.db2.gz OWEXBWDRRSODGQ-MJGOQNOKSA-N 0 0 348.487 2.933 10 10 EFCERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864931888 1303086728 /nfs/dbraw/zinc/08/67/28/1303086728.db2.gz PDAFBFVKZSEDBT-HUUCEWRRSA-N 0 0 334.435 2.961 10 10 EFCERN CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000864950576 1303096931 /nfs/dbraw/zinc/09/69/31/1303096931.db2.gz WZVMIZFDCHCQIH-MJGOQNOKSA-N 0 0 348.487 2.931 10 10 EFCERN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cn(C2CC2)cn1 ZINC000865218656 1303192673 /nfs/dbraw/zinc/19/26/73/1303192673.db2.gz UNCDIPMKSGIJOQ-YRNVUSSQSA-N 0 0 349.350 2.780 10 10 EFCERN C[C@H](O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000865449788 1303261264 /nfs/dbraw/zinc/26/12/64/1303261264.db2.gz CBHZVOJYXIMELV-HNNXBMFYSA-N 0 0 341.455 2.956 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1nnc(C2CC2)o1 ZINC000865918768 1303454096 /nfs/dbraw/zinc/45/40/96/1303454096.db2.gz PFTSLZJSGPARMF-UHFFFAOYSA-N 0 0 326.400 2.867 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000865931813 1303459540 /nfs/dbraw/zinc/45/95/40/1303459540.db2.gz JPXUPLFZFZUUDF-GFCCVEGCSA-N 0 0 332.335 2.828 10 10 EFCERN Cc1c2nnc(C(F)(F)F)n2nc(N2Cc3cccc(O)c3C2)c1C ZINC000866117784 1303533295 /nfs/dbraw/zinc/53/32/95/1303533295.db2.gz QZCSTACVWYPWCO-UHFFFAOYSA-N 0 0 349.316 2.986 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000866213137 1303566262 /nfs/dbraw/zinc/56/62/62/1303566262.db2.gz MDUVZBBXCGQQAB-FOIQADDNSA-N 0 0 346.446 2.983 10 10 EFCERN CC(=O)Nc1cc(NC(=O)NCc2ccccc2O)c(F)cc1F ZINC000748445155 1313926237 /nfs/dbraw/zinc/92/62/37/1313926237.db2.gz VLWLFHXBQJZEAK-UHFFFAOYSA-N 0 0 335.310 2.951 10 10 EFCERN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866442486 1303641296 /nfs/dbraw/zinc/64/12/96/1303641296.db2.gz MWTLDOASQRAKMJ-WKEGUHRASA-N 0 0 342.155 2.961 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)[C@H](OCC)C1CCOCC1 ZINC000866598858 1303704722 /nfs/dbraw/zinc/70/47/22/1303704722.db2.gz SVMBTWHOXQEBPZ-GOSISDBHSA-N 0 0 335.444 2.963 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC[C@@H]1OCC ZINC000866599015 1303705615 /nfs/dbraw/zinc/70/56/15/1303705615.db2.gz XRYNLUWNXGRNEE-QAPCUYQASA-N 0 0 335.444 2.963 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000866769543 1303785770 /nfs/dbraw/zinc/78/57/70/1303785770.db2.gz MZAJFZQVTYRSIS-QAPCUYQASA-N 0 0 327.380 2.504 10 10 EFCERN O=C(/C=C/COC1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000866771009 1303786888 /nfs/dbraw/zinc/78/68/88/1303786888.db2.gz KPDNOOACSQRTIA-ZZXKWVIFSA-N 0 0 345.439 2.639 10 10 EFCERN O=S(=O)(C[C@H]1CCC1(F)F)NCCCSc1nccs1 ZINC000866780577 1303791576 /nfs/dbraw/zinc/79/15/76/1303791576.db2.gz AWZIAYVFXCCABH-SECBINFHSA-N 0 0 342.458 2.590 10 10 EFCERN C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000867502952 1303836755 /nfs/dbraw/zinc/83/67/55/1303836755.db2.gz GADCXYWDOSEKTJ-LRDDRELGSA-N 0 0 328.416 2.818 10 10 EFCERN CCO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000867503329 1303836811 /nfs/dbraw/zinc/83/68/11/1303836811.db2.gz JZLSUXABGOSUEH-KSSFIOAISA-N 0 0 334.460 2.762 10 10 EFCERN CCO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000867503330 1303836856 /nfs/dbraw/zinc/83/68/56/1303836856.db2.gz JZLSUXABGOSUEH-RDTXWAMCSA-N 0 0 334.460 2.762 10 10 EFCERN CCO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000867503327 1303836865 /nfs/dbraw/zinc/83/68/65/1303836865.db2.gz JZLSUXABGOSUEH-KDOFPFPSSA-N 0 0 334.460 2.762 10 10 EFCERN COc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)c1C ZINC000867691430 1303911521 /nfs/dbraw/zinc/91/15/21/1303911521.db2.gz WHPXJJNCDCKXSL-UHFFFAOYSA-N 0 0 333.409 2.722 10 10 EFCERN C[C@@]1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl ZINC000867690547 1303911596 /nfs/dbraw/zinc/91/15/96/1303911596.db2.gz HROBJSUGBKSSAO-LBPRGKRZSA-N 0 0 336.240 2.622 10 10 EFCERN COc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1F ZINC000121837236 1303958262 /nfs/dbraw/zinc/95/82/62/1303958262.db2.gz JVNOQUXPXUPSCS-UHFFFAOYSA-N 0 0 332.331 2.638 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccccc1O ZINC000867833888 1303977793 /nfs/dbraw/zinc/97/77/93/1303977793.db2.gz FRVIPZIIDXMTAZ-NEPJUHHUSA-N 0 0 333.409 2.755 10 10 EFCERN C[C@@H](NS(=O)(=O)CCCC1CCOCC1)c1ccccc1O ZINC000867834853 1303977855 /nfs/dbraw/zinc/97/78/55/1303977855.db2.gz PQKBQASKZIAIQZ-CYBMUJFWSA-N 0 0 327.446 2.579 10 10 EFCERN C[C@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccccc1O ZINC000867836314 1303978774 /nfs/dbraw/zinc/97/87/74/1303978774.db2.gz NYCNIVWIYZKCPU-NSHDSACASA-N 0 0 338.429 2.858 10 10 EFCERN CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000867836003 1303978963 /nfs/dbraw/zinc/97/89/63/1303978963.db2.gz AFDFABOKRKWAOJ-BLLLJJGKSA-N 0 0 327.446 2.578 10 10 EFCERN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1O ZINC000867836394 1303978996 /nfs/dbraw/zinc/97/89/96/1303978996.db2.gz RAKNRDMJPLQRMD-LBPRGKRZSA-N 0 0 345.420 2.951 10 10 EFCERN C[C@H](NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1O ZINC000867836552 1303979195 /nfs/dbraw/zinc/97/91/95/1303979195.db2.gz XNVMOLQZRUIPHN-CABZTGNLSA-N 0 0 338.256 2.957 10 10 EFCERN C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1O ZINC000868023302 1304082124 /nfs/dbraw/zinc/08/21/24/1304082124.db2.gz QHBADPCRYFESEO-AWEZNQCLSA-N 0 0 340.427 2.948 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868112596 1304133848 /nfs/dbraw/zinc/13/38/48/1304133848.db2.gz ONHJKOKJZZDKNF-RBUKOAKNSA-N 0 0 343.471 2.901 10 10 EFCERN C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868170473 1304167919 /nfs/dbraw/zinc/16/79/19/1304167919.db2.gz JENCIPDYDXGQIT-SCLBCKFNSA-N 0 0 341.411 2.936 10 10 EFCERN C[C@@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868170280 1304168591 /nfs/dbraw/zinc/16/85/91/1304168591.db2.gz JENCIPDYDXGQIT-ACJLOTCBSA-N 0 0 341.411 2.936 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)cc(N)c3)C2)cc1 ZINC000868193404 1304180045 /nfs/dbraw/zinc/18/00/45/1304180045.db2.gz YPXXMRWHJQVYBP-HNNXBMFYSA-N 0 0 340.427 2.986 10 10 EFCERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(=O)N1CCCC[C@H]1C ZINC000868195556 1304183181 /nfs/dbraw/zinc/18/31/81/1304183181.db2.gz UFJRYJRSIOIKHW-RDBSUJKOSA-N 0 0 333.432 2.542 10 10 EFCERN C[C@H](NC(=O)NCc1nccn1CC(F)(F)F)c1ccccc1O ZINC000868220157 1304194102 /nfs/dbraw/zinc/19/41/02/1304194102.db2.gz VSYFOJSWYLBEOT-JTQLQIEISA-N 0 0 342.321 2.711 10 10 EFCERN C[C@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)c1ccccc1O ZINC000868266260 1304215633 /nfs/dbraw/zinc/21/56/33/1304215633.db2.gz PSQFYMNWOZNAOH-LFPIHBKWSA-N 0 0 346.452 2.701 10 10 EFCERN C[C@H](NC(=O)NCC(=O)N(C)C1CCCCC1)c1ccccc1O ZINC000868335435 1304251111 /nfs/dbraw/zinc/25/11/11/1304251111.db2.gz JVPJHKDRGPLMNX-ZDUSSCGKSA-N 0 0 333.432 2.544 10 10 EFCERN C[C@H](NC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(N(C)C)cc1 ZINC000868515026 1304334697 /nfs/dbraw/zinc/33/46/97/1304334697.db2.gz HMCOSIQFYHVNFC-PMRHUDFBSA-N 0 0 329.444 2.536 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@H](SC)C3)C2)cc1 ZINC000868721971 1304439963 /nfs/dbraw/zinc/43/99/63/1304439963.db2.gz ZWDOEQJKYCLBPA-CKEIUWERSA-N 0 0 349.500 2.715 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCC34CC4)C2)cc1 ZINC000868762089 1304460199 /nfs/dbraw/zinc/46/01/99/1304460199.db2.gz LHWXWWORUSRPBE-PBHICJAKSA-N 0 0 329.444 2.906 10 10 EFCERN C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000868777819 1304470580 /nfs/dbraw/zinc/47/05/80/1304470580.db2.gz AQGBOXPRFGYMQK-UNEWFSDZSA-N 0 0 342.443 2.897 10 10 EFCERN C[C@@H](NC(=O)NC[C@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000868799576 1304481738 /nfs/dbraw/zinc/48/17/38/1304481738.db2.gz CYVRONWZVRMXKM-BFUOFWGJSA-N 0 0 342.395 2.983 10 10 EFCERN C[C@H](NC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000868801230 1304482666 /nfs/dbraw/zinc/48/26/66/1304482666.db2.gz VJSHEHDQINEJAL-GWCFXTLKSA-N 0 0 342.321 2.753 10 10 EFCERN CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000868891051 1304521395 /nfs/dbraw/zinc/52/13/95/1304521395.db2.gz ZSTOXAXUZRTBQJ-WDYCEAGBSA-N 0 0 348.487 2.550 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000868937606 1304541859 /nfs/dbraw/zinc/54/18/59/1304541859.db2.gz LJLJQJHFLDCODJ-JKSUJKDBSA-N 0 0 326.396 2.619 10 10 EFCERN C[C@H](NC(=O)NCCc1cn(C)c2ncccc12)c1ccccc1O ZINC000869125145 1304624008 /nfs/dbraw/zinc/62/40/08/1304624008.db2.gz RXBPJJGWANUGGZ-ZDUSSCGKSA-N 0 0 338.411 2.882 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000869205530 1304658803 /nfs/dbraw/zinc/65/88/03/1304658803.db2.gz QQAWWDZTSMGQPC-GOEBONIOSA-N 0 0 335.423 2.506 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(F)cc3C)C2)cc1 ZINC000869229195 1304670328 /nfs/dbraw/zinc/67/03/28/1304670328.db2.gz STOKKOSBCUZTNY-ZDUSSCGKSA-N 0 0 329.375 2.546 10 10 EFCERN CCOCCCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000869231899 1304672230 /nfs/dbraw/zinc/67/22/30/1304672230.db2.gz VYGHROGIVBPOAE-MRXNPFEDSA-N 0 0 334.460 2.987 10 10 EFCERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295300 1304702828 /nfs/dbraw/zinc/70/28/28/1304702828.db2.gz QUHZBIJHONVSJG-QZTJIDSGSA-N 0 0 330.472 2.946 10 10 EFCERN CCn1nc(C)c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000869725183 1304936462 /nfs/dbraw/zinc/93/64/62/1304936462.db2.gz VOWBSLZWSKGOFT-CLFYSBASSA-N 0 0 329.400 2.603 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)c(O)c1O ZINC000870505323 1305364466 /nfs/dbraw/zinc/36/44/66/1305364466.db2.gz VGDAIKSDTNQPQD-RDJZCZTQSA-N 0 0 327.380 2.744 10 10 EFCERN Cc1cc(C(=O)N2CCO[C@H](C(F)F)CC2)c(C)n1-c1ccccn1 ZINC000870644675 1305464596 /nfs/dbraw/zinc/46/45/96/1305464596.db2.gz PKKOJOYCHULMFH-HNNXBMFYSA-N 0 0 349.381 2.985 10 10 EFCERN CCCS(=O)(=O)c1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198315 1305884836 /nfs/dbraw/zinc/88/48/36/1305884836.db2.gz HBOMJMHWTQKTSH-UHFFFAOYSA-N 0 0 345.420 2.732 10 10 EFCERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871198644 1305884961 /nfs/dbraw/zinc/88/49/61/1305884961.db2.gz LSICAKUACNJIHW-CQSZACIVSA-N 0 0 346.427 2.882 10 10 EFCERN CCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871199416 1305886506 /nfs/dbraw/zinc/88/65/06/1305886506.db2.gz PWQMFMGDKXJJHU-UHFFFAOYSA-N 0 0 328.368 2.670 10 10 EFCERN COc1cc(OC)c(C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000871199518 1305886618 /nfs/dbraw/zinc/88/66/18/1305886618.db2.gz QQZDSGXWXYVGHC-UHFFFAOYSA-N 0 0 329.352 2.574 10 10 EFCERN O=C(Nc1ccc(F)cc1)C1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871200493 1305887359 /nfs/dbraw/zinc/88/73/59/1305887359.db2.gz CSFKCMTWRZZUIP-UHFFFAOYSA-N 0 0 340.354 2.792 10 10 EFCERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871201400 1305887495 /nfs/dbraw/zinc/88/74/95/1305887495.db2.gz VQDGCIKBYBSRRD-HIFRSBDPSA-N 0 0 330.428 2.519 10 10 EFCERN CCCc1c(C(=O)N2Cc3cccc(O)c3C2)[nH]c(C)c1C(=O)OC ZINC000871200899 1305887564 /nfs/dbraw/zinc/88/75/64/1305887564.db2.gz MFJDUROSXLQRRY-UHFFFAOYSA-N 0 0 342.395 2.924 10 10 EFCERN CC(=O)CCc1ccc(OCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200811 1305888330 /nfs/dbraw/zinc/88/83/30/1305888330.db2.gz JFKMMWWLIOIRBP-UHFFFAOYSA-N 0 0 339.391 2.835 10 10 EFCERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871200749 1305888438 /nfs/dbraw/zinc/88/84/38/1305888438.db2.gz HZWFKHIIMYGMHY-JKSUJKDBSA-N 0 0 342.439 2.663 10 10 EFCERN O=C(c1ccc(N2CCC(O)CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203289 1305889067 /nfs/dbraw/zinc/88/90/67/1305889067.db2.gz WKXLAZJJUNDCHL-UHFFFAOYSA-N 0 0 338.407 2.509 10 10 EFCERN O=C(CCc1nc(C2CCCC2)no1)N1Cc2cccc(O)c2C1 ZINC000871203057 1305889245 /nfs/dbraw/zinc/88/92/45/1305889245.db2.gz LEVVNCMVDCWXSC-UHFFFAOYSA-N 0 0 327.384 2.908 10 10 EFCERN O=C(CCc1nnc(C2CCCC2)o1)N1Cc2cccc(O)c2C1 ZINC000871202983 1305889552 /nfs/dbraw/zinc/88/95/52/1305889552.db2.gz ISGCWGZDSDLJCU-UHFFFAOYSA-N 0 0 327.384 2.908 10 10 EFCERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1Cc2cccc(O)c2C1 ZINC000871202655 1305889727 /nfs/dbraw/zinc/88/97/27/1305889727.db2.gz KHZUMVKEYNIDNV-UHFFFAOYSA-N 0 0 336.391 2.752 10 10 EFCERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205841 1305890444 /nfs/dbraw/zinc/89/04/44/1305890444.db2.gz LJOAEMDTYWVXOQ-BETUJISGSA-N 0 0 332.400 2.538 10 10 EFCERN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C(=O)OC(C)(C)C ZINC000871205578 1305891345 /nfs/dbraw/zinc/89/13/45/1305891345.db2.gz HNBYSADUYQJRDV-CQSZACIVSA-N 0 0 334.416 2.880 10 10 EFCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC2COC2)cc1 ZINC000900129016 1307694323 /nfs/dbraw/zinc/69/43/23/1307694323.db2.gz CTXAKMDTYVRHDL-UHFFFAOYSA-N 0 0 328.412 2.911 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccsc1 ZINC000800394913 1307789558 /nfs/dbraw/zinc/78/95/58/1307789558.db2.gz MADUZJQMMPSWBQ-UHFFFAOYSA-N 0 0 346.452 2.622 10 10 EFCERN COC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC000900294450 1307903510 /nfs/dbraw/zinc/90/35/10/1307903510.db2.gz UWRQSFUBPPEGEK-UHFFFAOYSA-N 0 0 349.408 2.918 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000800840056 1308527626 /nfs/dbraw/zinc/52/76/26/1308527626.db2.gz WYLXQLHZJPJODC-UHFFFAOYSA-N 0 0 325.361 2.958 10 10 EFCERN COC[C@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000800901084 1308645711 /nfs/dbraw/zinc/64/57/11/1308645711.db2.gz NFDYJKDFKJUDHE-INIZCTEOSA-N 0 0 331.460 2.805 10 10 EFCERN CCC(CC)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC ZINC000900874752 1308797833 /nfs/dbraw/zinc/79/78/33/1308797833.db2.gz WKEOXODRABAARY-UHFFFAOYSA-N 0 0 337.397 2.774 10 10 EFCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000801134683 1309195885 /nfs/dbraw/zinc/19/58/85/1309195885.db2.gz IIICLGYRDGTDQO-KBPBESRZSA-N 0 0 326.412 2.757 10 10 EFCERN Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c(O)c1O ZINC000801472255 1310278647 /nfs/dbraw/zinc/27/86/47/1310278647.db2.gz CBNQKLDQDMBDGC-HXUWFJFHSA-N 0 0 341.407 2.573 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000801747109 1310847567 /nfs/dbraw/zinc/84/75/67/1310847567.db2.gz KMWRVPRWSBWVHE-BBRMVZONSA-N 0 0 349.500 2.777 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000782607305 1311368124 /nfs/dbraw/zinc/36/81/24/1311368124.db2.gz UMWMMSMBHHHULK-MGPUTAFESA-N 0 0 342.414 2.730 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(N2CCOC2=O)c1 ZINC001159034054 1311438534 /nfs/dbraw/zinc/43/85/34/1311438534.db2.gz PXESNRJSKDYXDI-UHFFFAOYSA-N 0 0 346.770 2.932 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)NC1CCC(C(N)=O)CC1 ZINC000802218295 1311474430 /nfs/dbraw/zinc/47/44/30/1311474430.db2.gz ADCJJUPKFZLVFB-UHFFFAOYSA-N 0 0 347.459 2.748 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001159565621 1311542631 /nfs/dbraw/zinc/54/26/31/1311542631.db2.gz KYADYRONNYNLDU-OAHLLOKOSA-N 0 0 347.798 2.974 10 10 EFCERN CCN1CC[C@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1=O ZINC000802365729 1311596896 /nfs/dbraw/zinc/59/68/96/1311596896.db2.gz SMGKPKMIXSKTMX-KRWDZBQOSA-N 0 0 339.439 2.753 10 10 EFCERN CCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000802367864 1311599388 /nfs/dbraw/zinc/59/93/88/1311599388.db2.gz ONXQBZTUVXZAHV-QGZVFWFLSA-N 0 0 343.402 2.584 10 10 EFCERN Cn1cc(-c2ncccc2NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC001160762717 1311776507 /nfs/dbraw/zinc/77/65/07/1311776507.db2.gz MWCQCQGYKCWILV-ALCCZGGFSA-N 0 0 336.351 2.545 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCc1ncc(C(F)(F)F)cn1 ZINC001228711330 1311986226 /nfs/dbraw/zinc/98/62/26/1311986226.db2.gz LQKZGKPKTRVDCB-UHFFFAOYSA-N 0 0 340.305 2.543 10 10 EFCERN COc1cccc(CNC(=O)[C@H](C)Cn2ncc3ccccc32)c1O ZINC000802781759 1312016410 /nfs/dbraw/zinc/01/64/10/1312016410.db2.gz GLCFSNZTXFGIFT-CYBMUJFWSA-N 0 0 339.395 2.703 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)NCc1cc(OC)ccc1O ZINC000802783311 1312018952 /nfs/dbraw/zinc/01/89/52/1312018952.db2.gz NAXHYROZKACRGN-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(O)cc1O ZINC001162278393 1312079325 /nfs/dbraw/zinc/07/93/25/1312079325.db2.gz HPLCOGHBYFQWMS-JLHYYAGUSA-N 0 0 327.380 2.912 10 10 EFCERN COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(O)cc1O ZINC001162278397 1312079333 /nfs/dbraw/zinc/07/93/33/1312079333.db2.gz HPLCOGHBYFQWMS-RAXLEYEMSA-N 0 0 327.380 2.912 10 10 EFCERN CCCn1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765712 1312087719 /nfs/dbraw/zinc/08/77/19/1312087719.db2.gz ADAOYNZEHNPDHD-HZPDHXFCSA-N 0 0 343.475 2.937 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(c2ccccc2)=NO1 ZINC001162606918 1312134403 /nfs/dbraw/zinc/13/44/03/1312134403.db2.gz ATFVMNSCBIHHNT-QGZVFWFLSA-N 0 0 347.374 2.750 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000902874337 1312171087 /nfs/dbraw/zinc/17/10/87/1312171087.db2.gz DWVUTBNQLOJMLT-UONOGXRCSA-N 0 0 345.365 2.662 10 10 EFCERN Cc1cc(CO)cc(C)c1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000902926224 1312214606 /nfs/dbraw/zinc/21/46/06/1312214606.db2.gz BGAPJMAMVWLSMZ-UHFFFAOYSA-N 0 0 341.455 2.861 10 10 EFCERN CCCn1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000903056536 1312315007 /nfs/dbraw/zinc/31/50/07/1312315007.db2.gz QFYIQKSXEQHYQL-HNNXBMFYSA-N 0 0 343.475 2.500 10 10 EFCERN CCOc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC001163705167 1312368330 /nfs/dbraw/zinc/36/83/30/1312368330.db2.gz LKSFLPMSCJKLGT-AWEZNQCLSA-N 0 0 328.416 2.883 10 10 EFCERN C[C@H](O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1F ZINC001164553645 1312538348 /nfs/dbraw/zinc/53/83/48/1312538348.db2.gz DVAZOLFRHZRDPI-ZUZCIYMTSA-N 0 0 344.346 2.840 10 10 EFCERN C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000903347428 1312586788 /nfs/dbraw/zinc/58/67/88/1312586788.db2.gz OHEPPDXOUMFBHH-NSHDSACASA-N 0 0 327.371 2.643 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)c1cnc2ccccc2c1O ZINC001165497978 1312638744 /nfs/dbraw/zinc/63/87/44/1312638744.db2.gz KCLUIWFEOUSQJL-UHFFFAOYSA-N 0 0 328.755 2.817 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cc(C)c(C)cc32)c1 ZINC000803461786 1312657255 /nfs/dbraw/zinc/65/72/55/1312657255.db2.gz GPUPJUONDADOEZ-PLNGDYQASA-N 0 0 335.407 2.661 10 10 EFCERN COc1ccc(N2CCN(Cc3cnc4c(C)cccn34)CC2)cc1 ZINC000179530565 1314704875 /nfs/dbraw/zinc/70/48/75/1314704875.db2.gz YPHOASIMBZSWPN-UHFFFAOYSA-N 0 0 336.439 2.974 10 10 EFCERN C[Si](C)(CNC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001248655938 1314951445 /nfs/dbraw/zinc/95/14/45/1314951445.db2.gz FXHFDPXTYBOHMC-UHFFFAOYSA-N 0 0 326.472 2.572 10 10 EFCERN CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000191258763 1315343548 /nfs/dbraw/zinc/34/35/48/1315343548.db2.gz NJGAKJVLICGBSJ-DOTOQJQBSA-N 0 0 349.500 2.607 10 10 EFCERN O=C(NCCCOc1cccc(F)c1)NCc1c(O)cccc1F ZINC001251481393 1315350330 /nfs/dbraw/zinc/35/03/30/1315350330.db2.gz IANBXPVLYPTTKL-UHFFFAOYSA-N 0 0 336.338 2.939 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000826862185 1315535919 /nfs/dbraw/zinc/53/59/19/1315535919.db2.gz WQZNVNSPJSLEPI-MJGOQNOKSA-N 0 0 346.471 2.591 10 10 EFCERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001256487629 1315948753 /nfs/dbraw/zinc/94/87/53/1315948753.db2.gz JXZIAYVOMUSITI-DOTOQJQBSA-N 0 0 347.459 2.626 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3c(C)ccc(F)c3N)CC2)cc1 ZINC001137386494 1315977647 /nfs/dbraw/zinc/97/76/47/1315977647.db2.gz FXHSITSCILCINP-UHFFFAOYSA-N 0 0 343.402 2.687 10 10 EFCERN O=C(C[C@H](O)c1cccc(F)c1)NCc1ccc2cccnc2c1O ZINC001299721278 1316377567 /nfs/dbraw/zinc/37/75/67/1316377567.db2.gz FGOMLXRFLRJHLJ-INIZCTEOSA-N 0 0 340.354 2.819 10 10 EFCERN CC(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001299721695 1316378386 /nfs/dbraw/zinc/37/83/86/1316378386.db2.gz QGPLNLXTFOTJSO-UHFFFAOYSA-N 0 0 335.363 2.829 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2ccccc2O1 ZINC001299723943 1316378601 /nfs/dbraw/zinc/37/86/01/1316378601.db2.gz ACKQSQATBMJKLF-KRWDZBQOSA-N 0 0 334.375 2.950 10 10 EFCERN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)C2=CC(=O)CS2)n1 ZINC001261751868 1316428796 /nfs/dbraw/zinc/42/87/96/1316428796.db2.gz LBDZKMCYIXLKNS-LLVKDONJSA-N 0 0 337.401 2.807 10 10 EFCERN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1c[nH]cn1 ZINC001261763789 1316429181 /nfs/dbraw/zinc/42/91/81/1316429181.db2.gz MZYMICIYEPEDMK-UHFFFAOYSA-N 0 0 344.484 2.557 10 10 EFCERN CN(CCC1CCCCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261857919 1316434468 /nfs/dbraw/zinc/43/44/68/1316434468.db2.gz ZGVWEGLNOXTTAG-UHFFFAOYSA-N 0 0 330.428 2.663 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@H](CC(=O)[O-])C2CCOCC2)cc1 ZINC001262163546 1316450718 /nfs/dbraw/zinc/45/07/18/1316450718.db2.gz XCEZGXRMGMZGRB-DDKKJVIOSA-N 0 0 332.444 2.625 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(NC)c2)cc1 ZINC001263704268 1316557129 /nfs/dbraw/zinc/55/71/29/1316557129.db2.gz PVKWLSRXXNEPHQ-UHFFFAOYSA-N 0 0 341.459 2.969 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ncc2c(F)cccn21 ZINC001265094534 1316719196 /nfs/dbraw/zinc/71/91/96/1316719196.db2.gz YMBHRYQITQCJBZ-UHFFFAOYSA-N 0 0 326.375 2.778 10 10 EFCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724842034 1317364131 /nfs/dbraw/zinc/36/41/31/1317364131.db2.gz KGMBBOBOXLUIHQ-NOZJJQNGSA-N 0 0 330.197 2.905 10 10 EFCERN CCC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001285246163 1320784210 /nfs/dbraw/zinc/78/42/10/1320784210.db2.gz HQZOFZXOWYFRRJ-CQSZACIVSA-N 0 0 347.419 2.520 10 10 EFCERN CCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285740436 1321062595 /nfs/dbraw/zinc/06/25/95/1321062595.db2.gz ATDIVNLQZXBUFL-NSHDSACASA-N 0 0 347.419 2.520 10 10 EFCERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001287660107 1321511549 /nfs/dbraw/zinc/51/15/49/1321511549.db2.gz AXNKKODBQFTHGZ-ZWKOTPCHSA-N 0 0 340.423 2.828 10 10 EFCERN Cc1ccccc1NC(=S)NNc1ccccc1S(C)(=O)=O ZINC000731949750 1321533852 /nfs/dbraw/zinc/53/38/52/1321533852.db2.gz NSLHJHAFNXCTPX-UHFFFAOYSA-N 0 0 335.454 2.712 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000732051646 1321564845 /nfs/dbraw/zinc/56/48/45/1321564845.db2.gz XOJULYBAGMGENN-PIEIZJNZSA-N 0 0 334.372 2.785 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001290291252 1321895519 /nfs/dbraw/zinc/89/55/19/1321895519.db2.gz RANXIOXVISZQSB-UHFFFAOYSA-N 0 0 328.372 2.515 10 10 EFCERN CC(C)n1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1N ZINC001290374561 1321905632 /nfs/dbraw/zinc/90/56/32/1321905632.db2.gz NBDXQFCXRHRIHH-UHFFFAOYSA-N 0 0 341.459 2.919 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)OC(C)(C)C ZINC001290375080 1321905894 /nfs/dbraw/zinc/90/58/94/1321905894.db2.gz QVMJVAMVMIOVME-UHFFFAOYSA-N 0 0 347.459 2.770 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC001290717371 1321944689 /nfs/dbraw/zinc/94/46/89/1321944689.db2.gz VHADRZLJGMNYOJ-HXUWFJFHSA-N 0 0 341.407 2.613 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290777367 1321961319 /nfs/dbraw/zinc/96/13/19/1321961319.db2.gz FQVQXECDDREQCN-UHFFFAOYSA-N 0 0 349.778 2.502 10 10 EFCERN Cc1nnc(N2CCC(F)(F)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001290793471 1321962041 /nfs/dbraw/zinc/96/20/41/1321962041.db2.gz IJPMDRNRDSTEHP-UHFFFAOYSA-N 0 0 347.413 2.863 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)cc1 ZINC001292229237 1322045614 /nfs/dbraw/zinc/04/56/14/1322045614.db2.gz VXJRCSHINNRRLA-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC001292405320 1322066875 /nfs/dbraw/zinc/06/68/75/1322066875.db2.gz JIHKDHHFLBTNTL-PKOBYXMFSA-N 0 0 345.370 2.816 10 10 EFCERN O=C(NCCCSc1nccs1)c1ncc2c(F)cccn21 ZINC001292996088 1322168460 /nfs/dbraw/zinc/16/84/60/1322168460.db2.gz AOSYUTRSRSNVGY-UHFFFAOYSA-N 0 0 336.417 2.842 10 10 EFCERN CCc1ccc2c(c1)[C@H](CCNC(=O)c1cccc(O)c1O)C(=O)N2 ZINC001293558646 1322284664 /nfs/dbraw/zinc/28/46/64/1322284664.db2.gz QNCPOWQKKZEXSG-LBPRGKRZSA-N 0 0 340.379 2.516 10 10 EFCERN Cc1nnc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)o1 ZINC001293719079 1322335243 /nfs/dbraw/zinc/33/52/43/1322335243.db2.gz YWERQCHLBCMPQT-UHFFFAOYSA-N 0 0 325.324 2.637 10 10 EFCERN Cc1cc(CC(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001294870774 1322586774 /nfs/dbraw/zinc/58/67/74/1322586774.db2.gz MJPWAERJYAEOSA-WOVMCDHWSA-N 0 0 332.831 2.930 10 10 EFCERN O=C(NCc1ccccc1O)c1ncsc1Nc1cccnc1 ZINC001294924661 1322600331 /nfs/dbraw/zinc/60/03/31/1322600331.db2.gz FVDSKJQBVNLJGG-UHFFFAOYSA-N 0 0 326.381 2.917 10 10 EFCERN CCc1nocc1/C=C1/OCCn2c(C=O)c(Br)nc21 ZINC000901575177 1322641798 /nfs/dbraw/zinc/64/17/98/1322641798.db2.gz MTGBOBFKGGPNLN-VZUCSPMQSA-N 0 0 338.161 2.537 10 10 EFCERN Cc1noc(C)c1/C=C1/OCCn2c(C=O)c(Br)nc21 ZINC000901576512 1322646055 /nfs/dbraw/zinc/64/60/55/1322646055.db2.gz AJGUZESAHLTPTN-VZUCSPMQSA-N 0 0 338.161 2.591 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)nn1-c1cccc(F)c1 ZINC001295669695 1322747126 /nfs/dbraw/zinc/74/71/26/1322747126.db2.gz DRJCPXKFKFLXCY-UHFFFAOYSA-N 0 0 341.342 2.912 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001295793193 1322781524 /nfs/dbraw/zinc/78/15/24/1322781524.db2.gz KKIWNVIULULWGA-DJJJIMSYSA-N 0 0 340.423 2.750 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC001295876624 1322797796 /nfs/dbraw/zinc/79/77/96/1322797796.db2.gz DOMOTGCANBIODF-AWEZNQCLSA-N 0 0 344.386 2.565 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c(C=O)cc1F ZINC001296245753 1322872578 /nfs/dbraw/zinc/87/25/78/1322872578.db2.gz HFJWEPCRGFEELS-SECBINFHSA-N 0 0 335.306 2.550 10 10 EFCERN COC(=O)c1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296823445 1323021821 /nfs/dbraw/zinc/02/18/21/1323021821.db2.gz BRMKUHNUQUWTHU-UHFFFAOYSA-N 0 0 340.339 2.566 10 10 EFCERN COc1ccc(CNC(=O)c2c(C)c(=O)[nH]c3ccccc32)c(O)c1 ZINC001296968776 1323066653 /nfs/dbraw/zinc/06/66/53/1323066653.db2.gz QTXMYSOYVGOSAB-UHFFFAOYSA-N 0 0 338.363 2.893 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(C(=O)OCC)CCC1 ZINC001297562470 1323273923 /nfs/dbraw/zinc/27/39/23/1323273923.db2.gz LXKRVEDMCMMVNC-UHFFFAOYSA-N 0 0 340.416 2.618 10 10 EFCERN O=C(NCc1nccnc1Cl)c1cc2cc(O)c(O)cc2s1 ZINC001297675900 1323315941 /nfs/dbraw/zinc/31/59/41/1323315941.db2.gz BGNPCPPFNLGEOQ-UHFFFAOYSA-N 0 0 335.772 2.686 10 10 EFCERN O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1cc2cc(O)c(O)cc2s1 ZINC001298694065 1323590824 /nfs/dbraw/zinc/59/08/24/1323590824.db2.gz YNKSCUYMKMCTAZ-UHFFFAOYSA-N 0 0 342.336 2.542 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC001298710885 1323593964 /nfs/dbraw/zinc/59/39/64/1323593964.db2.gz DCYTZYBUXBGHAJ-HXUWFJFHSA-N 0 0 339.391 2.637 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(CO)cc2)c(C)n1-c1ccccn1 ZINC001299868366 1323710893 /nfs/dbraw/zinc/71/08/93/1323710893.db2.gz DWZYNLJHGVUATH-UHFFFAOYSA-N 0 0 335.407 2.911 10 10 EFCERN Cc1cc(CCNC(=O)c2ccc[n+]([O-])c2)c(C)n1-c1ccccc1 ZINC000746426736 1324061973 /nfs/dbraw/zinc/06/19/73/1324061973.db2.gz QVGZMQIVULILGQ-UHFFFAOYSA-N 0 0 335.407 2.700 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](O)C3(CC3)C2)c(C)n1-c1cccc(F)c1 ZINC001320471305 1329138782 /nfs/dbraw/zinc/13/87/82/1329138782.db2.gz DBCXVTOLFJTABI-LJQANCHMSA-N 0 0 342.414 2.873 10 10 EFCERN Cc1ccc(O)c(CNC(=O)c2cc3cc(F)ccc3[nH]c2=O)c1 ZINC001301046914 1324520089 /nfs/dbraw/zinc/52/00/89/1324520089.db2.gz NNWOENBLLWTCEP-UHFFFAOYSA-N 0 0 326.327 2.611 10 10 EFCERN COc1cccc2c1OCC(C(=O)NCc1cc(C)ccc1O)=C2 ZINC001301047272 1324520361 /nfs/dbraw/zinc/52/03/61/1324520361.db2.gz VDXPMCAUNKOXLA-UHFFFAOYSA-N 0 0 325.364 2.801 10 10 EFCERN COc1cc(C(=O)N[C@@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OC ZINC001302533081 1324579476 /nfs/dbraw/zinc/57/94/76/1324579476.db2.gz ZWWKXNBFKQHDOY-JTQLQIEISA-N 0 0 346.339 2.809 10 10 EFCERN Cc1nc(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1ccc(F)cc1 ZINC001302532506 1324579604 /nfs/dbraw/zinc/57/96/04/1324579604.db2.gz GNEABQRGNWCTNE-NSHDSACASA-N 0 0 340.358 2.911 10 10 EFCERN O=C(c1cc(Cl)c2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC001302785991 1324587619 /nfs/dbraw/zinc/58/76/19/1324587619.db2.gz BVHCFGTVLDEASU-UHFFFAOYSA-N 0 0 331.755 2.973 10 10 EFCERN O=C(c1ncc(Br)s1)N1Cc2cccc(O)c2C1 ZINC001302786939 1324587652 /nfs/dbraw/zinc/58/76/52/1324587652.db2.gz LZBKVSXQKPBDOB-UHFFFAOYSA-N 0 0 325.187 2.767 10 10 EFCERN O=C(COCc1nc2ccccc2s1)NCc1cccc(O)c1O ZINC001303193786 1324597405 /nfs/dbraw/zinc/59/74/05/1324597405.db2.gz SPXIFRGOHVXYGH-UHFFFAOYSA-N 0 0 344.392 2.541 10 10 EFCERN O=C(CSc1ccc(F)c(F)c1)NCc1cc(O)ccc1O ZINC001303223117 1324597796 /nfs/dbraw/zinc/59/77/96/1324597796.db2.gz AUBOPEGUCIBGBP-UHFFFAOYSA-N 0 0 325.336 2.785 10 10 EFCERN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1cc(O)ccc1O ZINC001303223343 1324597974 /nfs/dbraw/zinc/59/79/74/1324597974.db2.gz LLLQOIVDRPNMPU-UHFFFAOYSA-N 0 0 339.391 2.866 10 10 EFCERN COC(=O)/C(C)=C/COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000748175056 1324604599 /nfs/dbraw/zinc/60/45/99/1324604599.db2.gz FOYIHWCSBVVHKM-XYOKQWHBSA-N 0 0 328.368 2.765 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cc(N2CCOC2=O)ccc1F ZINC001303879327 1324625433 /nfs/dbraw/zinc/62/54/33/1324625433.db2.gz XZPPNGVDWSITCA-UHFFFAOYSA-N 0 0 348.305 2.557 10 10 EFCERN CCOC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001304051037 1324635163 /nfs/dbraw/zinc/63/51/63/1324635163.db2.gz SITXYYZAVFVHLS-UHFFFAOYSA-N 0 0 330.340 2.596 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000748795184 1324635747 /nfs/dbraw/zinc/63/57/47/1324635747.db2.gz WNUVSZPDGAEDTQ-XQRVVYSFSA-N 0 0 341.367 2.855 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1cc(Br)n[nH]1 ZINC001304090581 1324637031 /nfs/dbraw/zinc/63/70/31/1324637031.db2.gz KFHJMJNMTNQWSA-UHFFFAOYSA-N 0 0 346.184 2.961 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305070013 1324671943 /nfs/dbraw/zinc/67/19/43/1324671943.db2.gz WUJZPHAWGFIHKZ-ZDUSSCGKSA-N 0 0 344.798 2.715 10 10 EFCERN COC(=O)/C=C\c1ccc(C(=O)NCc2cccc(Cl)c2O)o1 ZINC001305083743 1324672149 /nfs/dbraw/zinc/67/21/49/1324672149.db2.gz BHVKPFGAWGWGAS-VURMDHGXSA-N 0 0 335.743 2.755 10 10 EFCERN CC[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001305828660 1324691833 /nfs/dbraw/zinc/69/18/33/1324691833.db2.gz OSSYWYCWBIBCOK-OAHLLOKOSA-N 0 0 330.432 2.923 10 10 EFCERN CCc1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306125086 1324700523 /nfs/dbraw/zinc/70/05/23/1324700523.db2.gz LHCQQHSJPRLTKK-ZDUSSCGKSA-N 0 0 331.439 2.940 10 10 EFCERN CCc1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306125085 1324700827 /nfs/dbraw/zinc/70/08/27/1324700827.db2.gz LHCQQHSJPRLTKK-CYBMUJFWSA-N 0 0 331.439 2.940 10 10 EFCERN CCC(C)(C)C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000900507052 1324704241 /nfs/dbraw/zinc/70/42/41/1324704241.db2.gz DQYIOQBPZDOAHU-UHFFFAOYSA-N 0 0 332.444 2.786 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CC(Cc2c(F)cccc2F)C1 ZINC001306670860 1324718093 /nfs/dbraw/zinc/71/80/93/1324718093.db2.gz NIVGGPFSEITVKI-UHFFFAOYSA-N 0 0 337.297 2.830 10 10 EFCERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(-n2ccnc2)cc1 ZINC001306755027 1324720262 /nfs/dbraw/zinc/72/02/62/1324720262.db2.gz QONPNMUKGYQJBA-LLVKDONJSA-N 0 0 341.342 2.914 10 10 EFCERN CCOC(=O)c1cnc(Sc2cccc(S(C)(=O)=O)c2)s1 ZINC001307195089 1324749367 /nfs/dbraw/zinc/74/93/67/1324749367.db2.gz GGGUBYUHGBRXEQ-UHFFFAOYSA-N 0 0 343.451 2.875 10 10 EFCERN CC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)[O-] ZINC000901676066 1324753838 /nfs/dbraw/zinc/75/38/38/1324753838.db2.gz VOXVZQHOSNDSJY-RHSMWYFYSA-N 0 0 345.443 2.919 10 10 EFCERN COC[C@@]1(C(=O)[O-])CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000901866498 1324759445 /nfs/dbraw/zinc/75/94/45/1324759445.db2.gz WETGWILTMZSMCK-FHHGHWCOSA-N 0 0 332.444 2.579 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+]CCc2nc(C(=O)[O-])cs2)cc1 ZINC000901860550 1324759953 /nfs/dbraw/zinc/75/99/53/1324759953.db2.gz VRXAALOAKBMNLP-ARJAWSKDSA-N 0 0 331.441 2.753 10 10 EFCERN O=C1OC(C2=S=CC=C2)=N/C1=C/c1cnc(-c2ccncc2)s1 ZINC000753133038 1324775457 /nfs/dbraw/zinc/77/54/57/1324775457.db2.gz LCISDFYVRSRNRD-XYOKQWHBSA-N 0 0 339.401 2.779 10 10 EFCERN CC(C)Oc1ccc(N(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC001307678289 1324777258 /nfs/dbraw/zinc/77/72/58/1324777258.db2.gz ITDLGWMWFNTYCJ-OAHLLOKOSA-N 0 0 334.460 2.936 10 10 EFCERN COc1ccc(N(C)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC001307904033 1324785242 /nfs/dbraw/zinc/78/52/42/1324785242.db2.gz CEUPYNPHUMZZFZ-UHFFFAOYSA-N 0 0 329.787 2.993 10 10 EFCERN C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903223158 1324826556 /nfs/dbraw/zinc/82/65/56/1324826556.db2.gz VXNIIUPLYOJGOD-JTQLQIEISA-N 0 0 336.417 2.669 10 10 EFCERN COC1(C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])CCC1 ZINC000904020186 1324859856 /nfs/dbraw/zinc/85/98/56/1324859856.db2.gz FGWSXGBPFSTDSJ-AATOQMJSSA-N 0 0 332.444 2.768 10 10 EFCERN CC[C@H]([NH2+]CC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062879 1324863131 /nfs/dbraw/zinc/86/31/31/1324863131.db2.gz WWNFVXAPVTXUNP-NFAHFFEMSA-N 0 0 328.416 2.928 10 10 EFCERN Cc1cc(CCNC(=O)NCCOCCF)c(C)n1-c1ccccc1 ZINC001313082702 1325005714 /nfs/dbraw/zinc/00/57/14/1325005714.db2.gz HPWRWFBQZAIZLB-UHFFFAOYSA-N 0 0 347.434 2.922 10 10 EFCERN CO[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC001320907975 1329317706 /nfs/dbraw/zinc/31/77/06/1329317706.db2.gz OVIPHKLPHCPGHH-MNOVXSKESA-N 0 0 343.221 2.521 10 10 EFCERN CO[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC001320907976 1329317780 /nfs/dbraw/zinc/31/77/80/1329317780.db2.gz OVIPHKLPHCPGHH-QWRGUYRKSA-N 0 0 343.221 2.521 10 10 EFCERN CO[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC001320907977 1329317852 /nfs/dbraw/zinc/31/78/52/1329317852.db2.gz OVIPHKLPHCPGHH-WDEREUQCSA-N 0 0 343.221 2.521 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC(C)(C)O3)CC2)cc1 ZINC001321359111 1329376935 /nfs/dbraw/zinc/37/69/35/1329376935.db2.gz JWCFBRLQNFNNKN-QGZVFWFLSA-N 0 0 332.444 2.692 10 10 EFCERN CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC001324417693 1329625420 /nfs/dbraw/zinc/62/54/20/1329625420.db2.gz OHFOUTYPBNFHNM-CZUORRHYSA-N 0 0 348.349 2.551 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@](C)(C3CC3)C2)cc1F ZINC001327659845 1330505543 /nfs/dbraw/zinc/50/55/43/1330505543.db2.gz FGYNXQWASCGPAH-SFHVURJKSA-N 0 0 335.423 2.602 10 10 EFCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1COCC2 ZINC001328465709 1330593867 /nfs/dbraw/zinc/59/38/67/1330593867.db2.gz OUVLJLJBGYWISL-UHFFFAOYSA-N 0 0 338.407 2.848 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2CC1(C)C2 ZINC001328520507 1330599666 /nfs/dbraw/zinc/59/96/66/1330599666.db2.gz ZZEHVILPMGHLDZ-UHFFFAOYSA-N 0 0 343.471 2.501 10 10 EFCERN O=C(C(=O)N1CCC[C@@H]1c1cccs1)N1Cc2cccc(O)c2C1 ZINC001329330202 1330694774 /nfs/dbraw/zinc/69/47/74/1330694774.db2.gz CHJVJHMRAPVQSM-CQSZACIVSA-N 0 0 342.420 2.660 10 10 EFCERN COc1c(C)cc(C)cc1S(=O)(=O)NCc1cc(C)ccc1O ZINC001331363399 1330827941 /nfs/dbraw/zinc/82/79/41/1330827941.db2.gz JBSHDVGGXNDAMH-UHFFFAOYSA-N 0 0 335.425 2.805 10 10 EFCERN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC001331771064 1330874015 /nfs/dbraw/zinc/87/40/15/1330874015.db2.gz NXWYFDURDDFNJN-LLVKDONJSA-N 0 0 338.411 2.775 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cc(F)ncc3C)CC2)cc1 ZINC001331929282 1330892486 /nfs/dbraw/zinc/89/24/86/1330892486.db2.gz PEFIRHXYZZFHQF-UHFFFAOYSA-N 0 0 343.402 2.890 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC001331983254 1330900835 /nfs/dbraw/zinc/90/08/35/1330900835.db2.gz PUYANRDNMCXSKE-LLHWWHOWSA-N 0 0 340.423 2.757 10 10 EFCERN O=C(NCCO[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC001332136476 1330926248 /nfs/dbraw/zinc/92/62/48/1330926248.db2.gz ZNRZSTXSCZMUAG-OAHLLOKOSA-N 0 0 337.397 2.586 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C2CCC1(CO)CC2 ZINC001332352493 1330961944 /nfs/dbraw/zinc/96/19/44/1330961944.db2.gz RHDIBWVUVGMBPS-FVWXCPNNSA-N 0 0 345.487 2.691 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2CC=CC2)cc1 ZINC001332634229 1330994192 /nfs/dbraw/zinc/99/41/92/1330994192.db2.gz HTTYDMISYGDRQD-UHFFFAOYSA-N 0 0 343.471 2.622 10 10 EFCERN COCCCn1ccc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC001332937772 1331050155 /nfs/dbraw/zinc/05/01/55/1331050155.db2.gz MPXYMWDKXKPYRY-UHFFFAOYSA-N 0 0 338.795 2.600 10 10 EFCERN C[C@H](NC(=O)C(=O)NC[C@@]12C[C@@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC001333427627 1331140516 /nfs/dbraw/zinc/14/05/16/1331140516.db2.gz DGMXLYPZXWSPBU-DKICVRJWSA-N 0 0 343.471 2.626 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734559 1331204556 /nfs/dbraw/zinc/20/45/56/1331204556.db2.gz PCUAYGIQELDKME-NSHDSACASA-N 0 0 329.799 2.548 10 10 EFCERN COC(=O)COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001341025409 1332227746 /nfs/dbraw/zinc/22/77/46/1332227746.db2.gz NJMZXBIYUXXGGE-KGLIPLIRSA-N 0 0 347.333 2.785 10 10 EFCERN O=C(CC1(C(F)(F)F)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC001342223615 1332319269 /nfs/dbraw/zinc/31/92/69/1332319269.db2.gz ZZDYMLKMUFWJPA-UHFFFAOYSA-N 0 0 342.361 2.872 10 10 EFCERN Cc1cc(C(=O)OC[C@]2(C)CCN(C)C2=O)c(C)n1-c1ccccn1 ZINC001343905032 1332389574 /nfs/dbraw/zinc/38/95/74/1332389574.db2.gz IXEPKOGIXLJASU-IBGZPJMESA-N 0 0 341.411 2.514 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001345507571 1332544100 /nfs/dbraw/zinc/54/41/00/1332544100.db2.gz OAANBFWWAGKREI-ROUUACIJSA-N 0 0 331.460 2.996 10 10 EFCERN CN(C)c1ccc(CNC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1F ZINC001345601540 1332552150 /nfs/dbraw/zinc/55/21/50/1332552150.db2.gz GRJRFTAPZPEQBF-IEBWSBKVSA-N 0 0 349.450 2.992 10 10 EFCERN Cc1ncccc1CC(=O)NCc1cc(Br)ccc1O ZINC001346119461 1332601028 /nfs/dbraw/zinc/60/10/28/1332601028.db2.gz XFRWJKPQWAXZLS-UHFFFAOYSA-N 0 0 335.201 2.717 10 10 EFCERN COC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1 ZINC001346274539 1332620775 /nfs/dbraw/zinc/62/07/75/1332620775.db2.gz WUZWJRBNSJHWPZ-OAHLLOKOSA-N 0 0 348.374 2.727 10 10 EFCERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cccc(O)c2O)c1 ZINC001347234391 1332726525 /nfs/dbraw/zinc/72/65/25/1332726525.db2.gz NTMRZGNBSGXBGP-DZGCQCFKSA-N 0 0 343.379 2.535 10 10 EFCERN CCn1cccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001347364774 1332737934 /nfs/dbraw/zinc/73/79/34/1332737934.db2.gz XYNHBXSGWJCXCZ-UHFFFAOYSA-N 0 0 327.428 2.869 10 10 EFCERN C[C@H](NC(=O)c1cc(C2CCOCC2)nn1C)c1ccccc1O ZINC001347464064 1332747797 /nfs/dbraw/zinc/74/77/97/1332747797.db2.gz SKJMCNIZDLVJQM-LBPRGKRZSA-N 0 0 329.400 2.511 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001347470663 1332748204 /nfs/dbraw/zinc/74/82/04/1332748204.db2.gz CSBZPFIRCUBWAJ-UYAOXDASSA-N 0 0 346.471 2.796 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnoc3C(C)C)C2)cc1 ZINC001347822646 1332776208 /nfs/dbraw/zinc/77/62/08/1332776208.db2.gz VPQDKBCXXJKYFW-ZDUSSCGKSA-N 0 0 329.400 2.815 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001348046002 1332795503 /nfs/dbraw/zinc/79/55/03/1332795503.db2.gz GNZZOURTJTXBJM-UHFFFAOYSA-N 0 0 348.786 2.865 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC001348686178 1332859688 /nfs/dbraw/zinc/85/96/88/1332859688.db2.gz SPYXMWRQYNTEIV-MRXNPFEDSA-N 0 0 344.455 2.779 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2csc(-c3ncc[nH]3)n2)cc1 ZINC001348910872 1332883473 /nfs/dbraw/zinc/88/34/73/1332883473.db2.gz OOBWGCLREROIOQ-UHFFFAOYSA-N 0 0 327.413 2.529 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ccc(C2CCOCC2)cc1 ZINC001349080086 1332903233 /nfs/dbraw/zinc/90/32/33/1332903233.db2.gz YZRGPOMCZWIKCM-UHFFFAOYSA-N 0 0 327.380 2.922 10 10 EFCERN COCC[C@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 ZINC001349715163 1332988796 /nfs/dbraw/zinc/98/87/96/1332988796.db2.gz XEOPAFWZULIGPX-ZPIQOJFGSA-N 0 0 325.412 2.990 10 10 EFCERN COCC[C@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 ZINC001349715162 1332989178 /nfs/dbraw/zinc/98/91/78/1332989178.db2.gz XEOPAFWZULIGPX-MVGZEHJDSA-N 0 0 325.412 2.990 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC2CC3(CC3(F)F)C2)c1 ZINC001350394017 1333074229 /nfs/dbraw/zinc/07/42/29/1333074229.db2.gz GZXGADPFZAMOPL-YLTRJXTNSA-N 0 0 326.343 2.949 10 10 EFCERN COC12CCC(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)(CC1)C(=O)C2 ZINC001351775542 1333284568 /nfs/dbraw/zinc/28/45/68/1333284568.db2.gz LMRIXDVDWNQPCR-WPUWVODUSA-N 0 0 344.455 2.848 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1c1ccncc1 ZINC001352188990 1333419835 /nfs/dbraw/zinc/41/98/35/1333419835.db2.gz IFOFRRDWWQXROM-UONOGXRCSA-N 0 0 347.212 2.970 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(C(F)F)on2)c1 ZINC001352240880 1333437535 /nfs/dbraw/zinc/43/75/35/1333437535.db2.gz KDMAVRUHGUMUAE-QMMMGPOBSA-N 0 0 341.314 2.887 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001352614914 1333631867 /nfs/dbraw/zinc/63/18/67/1333631867.db2.gz IZNFVKNWUCEUJK-UHFFFAOYSA-N 0 0 340.383 2.862 10 10 EFCERN O=C(NCc1cccc(O)c1O)c1ncccc1NCC1CCC1 ZINC001352669404 1333661355 /nfs/dbraw/zinc/66/13/55/1333661355.db2.gz IKOAZNPVKQMJHD-UHFFFAOYSA-N 0 0 327.384 2.635 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000847500193 1333807851 /nfs/dbraw/zinc/80/78/51/1333807851.db2.gz FEYPUKDJOWRQEX-UHFFFAOYSA-N 0 0 337.427 2.720 10 10 EFCERN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001352984669 1333846487 /nfs/dbraw/zinc/84/64/87/1333846487.db2.gz DARFNJGQFAIIHB-OAHLLOKOSA-N 0 0 336.407 2.575 10 10 EFCERN Cc1cnn(C)c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113367 1334124248 /nfs/dbraw/zinc/12/42/48/1334124248.db2.gz FDGIGOVMGSBMRE-UHFFFAOYSA-N 0 0 345.358 2.756 10 10 EFCERN Cn1cc(C2=CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)cn1 ZINC001300607372 1334292695 /nfs/dbraw/zinc/29/26/95/1334292695.db2.gz FJFRTSJGQADKQT-UHFFFAOYSA-N 0 0 338.371 2.512 10 10 EFCERN C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000848559796 1334794805 /nfs/dbraw/zinc/79/48/05/1334794805.db2.gz ZVPVMLAYISORER-RVMXOQNASA-N 0 0 328.403 2.819 10 10 EFCERN C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000848559794 1334795568 /nfs/dbraw/zinc/79/55/68/1334795568.db2.gz ZVPVMLAYISORER-FVCCEPFGSA-N 0 0 328.403 2.819 10 10 EFCERN Cc1ccc(O)c(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 ZINC000848561937 1334796070 /nfs/dbraw/zinc/79/60/70/1334796070.db2.gz FYKGYGQATLRTEN-LJQANCHMSA-N 0 0 339.395 2.710 10 10 EFCERN Cc1ccc(O)c(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 ZINC000848561935 1334796301 /nfs/dbraw/zinc/79/63/01/1334796301.db2.gz FYKGYGQATLRTEN-IBGZPJMESA-N 0 0 339.395 2.710 10 10 EFCERN Oc1cc2c(cc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F)OCO2 ZINC000848573537 1334801723 /nfs/dbraw/zinc/80/17/23/1334801723.db2.gz IERASBTZJKCJRZ-YGRLFVJLSA-N 0 0 333.306 2.711 10 10 EFCERN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000848604642 1334810806 /nfs/dbraw/zinc/81/08/06/1334810806.db2.gz ZDSJBVGDNQDAKM-JTQLQIEISA-N 0 0 325.359 2.538 10 10 EFCERN COc1ccc(N2CCCN(c3ncnc(C)c3OC)CC2)cc1 ZINC000848652622 1334826245 /nfs/dbraw/zinc/82/62/45/1334826245.db2.gz ZVGAIZPNVXCPAW-UHFFFAOYSA-N 0 0 328.416 2.519 10 10 EFCERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cccc(CC)c1O ZINC000848905569 1334976531 /nfs/dbraw/zinc/97/65/31/1334976531.db2.gz JTWSTJJELIWKNG-QGZVFWFLSA-N 0 0 328.412 2.614 10 10 EFCERN Cn1c(Cl)ncc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000848907049 1334977060 /nfs/dbraw/zinc/97/70/60/1334977060.db2.gz HCZRTBKZMIYOIT-UHFFFAOYSA-N 0 0 330.613 2.831 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCn1cccn1 ZINC001356255337 1335002392 /nfs/dbraw/zinc/00/23/92/1335002392.db2.gz FUQQQOSEUWSQCO-UHFFFAOYSA-N 0 0 326.444 2.922 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@H]2Cc3ccccc3O2)cc1F ZINC001357192411 1335290169 /nfs/dbraw/zinc/29/01/69/1335290169.db2.gz JKINOJGGZNHCFU-OAHLLOKOSA-N 0 0 328.387 2.902 10 10 EFCERN COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC001357201415 1335291270 /nfs/dbraw/zinc/29/12/70/1335291270.db2.gz YCYOCYNNWVPIGJ-RMKNXTFCSA-N 0 0 346.358 2.601 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nn(C)c2ccccc12 ZINC000935944868 1335464338 /nfs/dbraw/zinc/46/43/38/1335464338.db2.gz BEXZFGNHKMRBNL-UHFFFAOYSA-N 0 0 344.411 2.624 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(=O)c1cc(F)ccc1C ZINC000935947902 1335465165 /nfs/dbraw/zinc/46/51/65/1335465165.db2.gz HGPWXEMTWHOICS-UHFFFAOYSA-N 0 0 336.359 2.825 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cccc2c1OCO2 ZINC000935947612 1335465192 /nfs/dbraw/zinc/46/51/92/1335465192.db2.gz ARXARPOTERRKHU-UHFFFAOYSA-N 0 0 348.395 2.856 10 10 EFCERN O=C1/C(=C\c2cn(C3CCC3)nn2)SC(=S)N1c1cccnc1 ZINC000849241938 1335575314 /nfs/dbraw/zinc/57/53/14/1335575314.db2.gz QYRPSSOTTGECOC-NTUHNPAUSA-N 0 0 343.437 2.804 10 10 EFCERN CN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344909 1335595428 /nfs/dbraw/zinc/59/54/28/1335595428.db2.gz SGQIRJVAQXBBEI-OLZOCXBDSA-N 0 0 330.350 2.838 10 10 EFCERN CCCCC[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849357754 1335598071 /nfs/dbraw/zinc/59/80/71/1335598071.db2.gz PJGLSJCLSRWDBP-RDJZCZTQSA-N 0 0 345.443 2.775 10 10 EFCERN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3C)C2)cc1 ZINC000849416753 1335610609 /nfs/dbraw/zinc/61/06/09/1335610609.db2.gz WKOLDXJTHQMVTI-HNNXBMFYSA-N 0 0 346.452 2.561 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000849859459 1335782537 /nfs/dbraw/zinc/78/25/37/1335782537.db2.gz NUTWNZUGCRHFTL-NXHRZFHOSA-N 0 0 344.455 2.690 10 10 EFCERN CC(C)(C)c1cnc(SCc2coc(S(N)(=O)=O)c2)s1 ZINC000849887650 1335793907 /nfs/dbraw/zinc/79/39/07/1335793907.db2.gz OEWYFHSGPCIMLB-UHFFFAOYSA-N 0 0 332.472 2.973 10 10 EFCERN COc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1 ZINC000000413997 1335921080 /nfs/dbraw/zinc/92/10/80/1335921080.db2.gz WTDUURFQPAJKOM-UHFFFAOYSA-N 0 0 325.412 2.727 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](OC)c2ccccc2)cc1 ZINC001437376843 1387593353 /nfs/dbraw/zinc/59/33/53/1387593353.db2.gz BPCQZPKAMASDRK-IBGZPJMESA-N 0 0 342.439 2.978 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](OC)C2CCCC2)cc1 ZINC001437382516 1387597021 /nfs/dbraw/zinc/59/70/21/1387597021.db2.gz QASYMVGNHVBZGD-GOSISDBHSA-N 0 0 334.460 2.795 10 10 EFCERN CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC001439225552 1389058048 /nfs/dbraw/zinc/05/80/48/1389058048.db2.gz ILLYVNKDKUQYGT-NTMALXAHSA-N 0 0 329.787 2.771 10 10 EFCERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001440662677 1389806605 /nfs/dbraw/zinc/80/66/05/1389806605.db2.gz MRSFXPBQUPVFOI-UHFFFAOYSA-N 0 0 328.372 2.636 10 10 EFCERN CN(C)c1ccc(CN(C(=O)c2ccnc3[nH]cnc32)C2CC2)cc1 ZINC001441126771 1391121018 /nfs/dbraw/zinc/12/10/18/1391121018.db2.gz CCQAXGLEBJLXHB-UHFFFAOYSA-N 0 0 335.411 2.829 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CC(F)(F)C1 ZINC001446818578 1391612984 /nfs/dbraw/zinc/61/29/84/1391612984.db2.gz WBVUNCXQVMTCEJ-UHFFFAOYSA-N 0 0 347.745 2.593 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(Cl)c(F)c1 ZINC001449656557 1392281161 /nfs/dbraw/zinc/28/11/61/1392281161.db2.gz PZZMBBKAVIJWRB-UHFFFAOYSA-N 0 0 339.750 2.628 10 10 EFCERN Cc1cc(C(=O)NCc2nn(C)cc2Cl)c(C)n1-c1ccccn1 ZINC001449837091 1392403176 /nfs/dbraw/zinc/40/31/76/1392403176.db2.gz GQRXHDVCUZLUEY-UHFFFAOYSA-N 0 0 343.818 2.806 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1cn[nH]c1 ZINC001450535636 1392639211 /nfs/dbraw/zinc/63/92/11/1392639211.db2.gz QVRIDOUYRWFWOX-UHFFFAOYSA-N 0 0 336.395 2.602 10 10 EFCERN COc1ccc2c(=O)[nH]n(C(=O)C=Cc3ccc(O)c(O)c3)c2c1 ZINC001450562113 1392644546 /nfs/dbraw/zinc/64/45/46/1392644546.db2.gz DOEXRHVBSHMCDK-XVNBXDOJSA-N 0 0 326.308 2.515 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)CCC(=O)N2 ZINC001451946206 1392855470 /nfs/dbraw/zinc/85/54/70/1392855470.db2.gz CWXWFPKXDJDSNQ-UHFFFAOYSA-N 0 0 347.374 2.755 10 10 EFCERN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(N(C)C)n1 ZINC001546063519 1393069057 /nfs/dbraw/zinc/06/90/57/1393069057.db2.gz VTYPXMYANUXFRT-UHFFFAOYSA-N 0 0 326.360 2.871 10 10 EFCERN Cc1cc(F)ccc1-n1cc(C(=O)N[C@H](C)c2ccccc2O)nn1 ZINC001454802862 1394244439 /nfs/dbraw/zinc/24/44/39/1394244439.db2.gz DYXRCVXQXARONX-GFCCVEGCSA-N 0 0 340.358 2.911 10 10 EFCERN C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1O ZINC001454808319 1394251579 /nfs/dbraw/zinc/25/15/79/1394251579.db2.gz URBGSAYXHZWIIW-LLVKDONJSA-N 0 0 332.787 2.653 10 10 EFCERN CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc21 ZINC001454817667 1394263994 /nfs/dbraw/zinc/26/39/94/1394263994.db2.gz KQLHOMMWSIKUDK-NSHDSACASA-N 0 0 325.368 2.958 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC23CCOCC3)cc1 ZINC001454866650 1394323996 /nfs/dbraw/zinc/32/39/96/1394323996.db2.gz IOIGLILNPJGKMT-ZDUSSCGKSA-N 0 0 330.388 2.786 10 10 EFCERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001455356044 1394593578 /nfs/dbraw/zinc/59/35/78/1394593578.db2.gz GUHTVNNKRFTERH-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccccc1OC(F)(F)F ZINC001455357032 1394593597 /nfs/dbraw/zinc/59/35/97/1394593597.db2.gz MQGZLPBVVSFQAT-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN COc1ccc(C(=O)CCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001455355637 1394593787 /nfs/dbraw/zinc/59/37/87/1394593787.db2.gz DRQVGJKGYIMKBF-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NCc1cc(O)ccc1O ZINC001455356650 1394593901 /nfs/dbraw/zinc/59/39/01/1394593901.db2.gz JWECRGRYXHHUDM-MRXNPFEDSA-N 0 0 337.379 2.659 10 10 EFCERN Cc1cnc2c(cnn2CC(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001456308258 1394663240 /nfs/dbraw/zinc/66/32/40/1394663240.db2.gz HNMCDDZPNFBCHQ-UHFFFAOYSA-N 0 0 346.390 2.915 10 10 EFCERN O=C(CCOC[C@H]1CCCO1)NCc1c(O)ccc2ccccc21 ZINC001456308848 1394663607 /nfs/dbraw/zinc/66/36/07/1394663607.db2.gz GMAPLYBOLOXWKV-OAHLLOKOSA-N 0 0 329.396 2.747 10 10 EFCERN COc1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccco3)C2)cc1OC ZINC001458236881 1395429251 /nfs/dbraw/zinc/42/92/51/1395429251.db2.gz JZFUIUWFHRKLFI-MRXNPFEDSA-N 0 0 334.328 2.783 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001458310237 1395443608 /nfs/dbraw/zinc/44/36/08/1395443608.db2.gz MPZNOFIBXMWMDQ-SECBINFHSA-N 0 0 336.319 2.681 10 10 EFCERN COC(=O)c1cc(C)nc(NCc2c(O)cccc2F)c1[N+](=O)[O-] ZINC001458625168 1395526226 /nfs/dbraw/zinc/52/62/26/1395526226.db2.gz ZRVPWGASAYIICF-UHFFFAOYSA-N 0 0 335.291 2.542 10 10 EFCERN C/C(=C\C(=O)N(C)c1cccc(Br)n1)c1cnccn1 ZINC001459302594 1395791694 /nfs/dbraw/zinc/79/16/94/1395791694.db2.gz ZHHNRERZARXWHU-CSKARUKUSA-N 0 0 333.189 2.700 10 10 EFCERN CCOC(=O)COCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460282552 1396019626 /nfs/dbraw/zinc/01/96/26/1396019626.db2.gz FXDLQOKDPWHOLR-INIZCTEOSA-N 0 0 335.444 2.910 10 10 EFCERN CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1cccc(C)c1F ZINC001462326819 1396432213 /nfs/dbraw/zinc/43/22/13/1396432213.db2.gz CWXDVJVTEYKKPI-HJWRWDBZSA-N 0 0 341.386 2.955 10 10 EFCERN CCOC(=O)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001463541043 1396500439 /nfs/dbraw/zinc/50/04/39/1396500439.db2.gz YUYJMJWHIDHDBG-UHFFFAOYSA-N 0 0 346.387 2.654 10 10 EFCERN CCc1nnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001463803335 1396521845 /nfs/dbraw/zinc/52/18/45/1396521845.db2.gz CUQOLVXOLNPSMJ-UHFFFAOYSA-N 0 0 330.457 2.973 10 10 EFCERN CN(C)C(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001463877414 1396528082 /nfs/dbraw/zinc/52/80/82/1396528082.db2.gz AOBBWUAKGGPLIM-UHFFFAOYSA-N 0 0 339.355 2.803 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1OC ZINC001464052552 1396541978 /nfs/dbraw/zinc/54/19/78/1396541978.db2.gz CCKPDTLVHBSLDT-UHFFFAOYSA-N 0 0 342.355 2.796 10 10 EFCERN CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC001464215185 1396557133 /nfs/dbraw/zinc/55/71/33/1396557133.db2.gz SWPQIFYNLIADPV-LBPRGKRZSA-N 0 0 342.395 2.556 10 10 EFCERN COc1ccc(N2CCCN(C(=O)Cc3ccnc(F)c3)CC2)cc1 ZINC001464348158 1396566866 /nfs/dbraw/zinc/56/68/66/1396566866.db2.gz IGEFHPYCEAYGCX-UHFFFAOYSA-N 0 0 343.402 2.511 10 10 EFCERN CCOC(=O)N(C)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001464379978 1396569930 /nfs/dbraw/zinc/56/99/30/1396569930.db2.gz CSRXXWSGQFPXJV-UHFFFAOYSA-N 0 0 344.367 2.872 10 10 EFCERN C[C@H](O)c1ncc(C(=O)NCCCSc2nccs2)s1 ZINC001464901620 1396628792 /nfs/dbraw/zinc/62/87/92/1396628792.db2.gz NUNHDFNSFDEZIP-QMMMGPOBSA-N 0 0 329.472 2.565 10 10 EFCERN C[S@@](=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001465103050 1396649711 /nfs/dbraw/zinc/64/97/11/1396649711.db2.gz ZECYXTWURWWUDA-HSZRJFAPSA-N 0 0 330.369 2.839 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1-c1cccnc1 ZINC001465409604 1396678228 /nfs/dbraw/zinc/67/82/28/1396678228.db2.gz ZTTMLHSLRAVSJA-UHFFFAOYSA-N 0 0 349.394 2.577 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C=O)ccc1F ZINC001465409579 1396678431 /nfs/dbraw/zinc/67/84/31/1396678431.db2.gz ZHBLTYVHNQCVSD-UHFFFAOYSA-N 0 0 328.343 2.743 10 10 EFCERN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001465886251 1396719394 /nfs/dbraw/zinc/71/93/94/1396719394.db2.gz GQKZEUGBOUCLTA-RHSMWYFYSA-N 0 0 341.388 2.701 10 10 EFCERN Cc1nc2ccc(O)cc2cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001465982247 1396727857 /nfs/dbraw/zinc/72/78/57/1396727857.db2.gz YYPMHTZUXUHAEK-UHFFFAOYSA-N 0 0 338.363 2.633 10 10 EFCERN CCc1ncc(Cl)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC001465993735 1396730209 /nfs/dbraw/zinc/73/02/09/1396730209.db2.gz VZNKHIQENODDPG-VIFPVBQESA-N 0 0 335.791 2.898 10 10 EFCERN O=C(Cc1ccnc(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001466289971 1396745868 /nfs/dbraw/zinc/74/58/68/1396745868.db2.gz LYDMWKPCAYNSPI-MRXNPFEDSA-N 0 0 344.386 2.677 10 10 EFCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)cnc1Br ZINC001466368468 1396750937 /nfs/dbraw/zinc/75/09/37/1396750937.db2.gz ZHJRLSTXMBFRGW-UHFFFAOYSA-N 0 0 337.173 2.745 10 10 EFCERN Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001467445701 1396856208 /nfs/dbraw/zinc/85/62/08/1396856208.db2.gz MJAUUVKEZNXBMT-MRXNPFEDSA-N 0 0 340.383 2.929 10 10 EFCERN COc1ccc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(O)c1 ZINC001467471287 1396859684 /nfs/dbraw/zinc/85/96/84/1396859684.db2.gz WZNCXSIBLCYHLP-UHFFFAOYSA-N 0 0 330.340 2.856 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1F ZINC001467593942 1396874982 /nfs/dbraw/zinc/87/49/82/1396874982.db2.gz BHFWJCPKCGKGDG-UHFFFAOYSA-N 0 0 327.315 2.808 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(OC(F)F)cn2)cc1 ZINC001467647846 1396879891 /nfs/dbraw/zinc/87/98/91/1396879891.db2.gz JVCYOQHLWNURAM-UHFFFAOYSA-N 0 0 349.297 2.775 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cccc(OC)c1 ZINC001467839504 1396903169 /nfs/dbraw/zinc/90/31/69/1396903169.db2.gz AXQFMCPXXDJPMX-UHFFFAOYSA-N 0 0 336.384 2.582 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CO)Cc3ccccc32)cc1 ZINC001468316877 1396944533 /nfs/dbraw/zinc/94/45/33/1396944533.db2.gz ONVYKVGMPJGLRS-LBPRGKRZSA-N 0 0 338.367 2.660 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1nc(C)n(C)n1 ZINC001468485011 1396961020 /nfs/dbraw/zinc/96/10/20/1396961020.db2.gz IGJQUXFQEGBGFS-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2cc(F)cnc2Cl)cc1 ZINC001468551681 1396966288 /nfs/dbraw/zinc/96/62/88/1396966288.db2.gz NHBGXPJZPYXUJR-UHFFFAOYSA-N 0 0 335.726 2.967 10 10 EFCERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)cc1O ZINC001469160364 1397006126 /nfs/dbraw/zinc/00/61/26/1397006126.db2.gz RDOKDTRJYSSXAP-SNVBAGLBSA-N 0 0 348.380 2.803 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC001469160979 1397006241 /nfs/dbraw/zinc/00/62/41/1397006241.db2.gz XCOYPCIRMUQYGV-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1noc2c1CCc1ccccc1-2 ZINC001469161192 1397006628 /nfs/dbraw/zinc/00/66/28/1397006628.db2.gz HVVWVHGCFBYUSR-UHFFFAOYSA-N 0 0 336.347 2.781 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccccc1F ZINC001469160296 1397006903 /nfs/dbraw/zinc/00/69/03/1397006903.db2.gz QLJWXUDEMAODSY-UHFFFAOYSA-N 0 0 327.315 2.557 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001469162588 1397007770 /nfs/dbraw/zinc/00/77/70/1397007770.db2.gz NIODWGXKXRDQCZ-OTVXOJSOSA-N 0 0 341.411 2.780 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(F)c(O)c3)C2)cc1 ZINC001469282395 1397017891 /nfs/dbraw/zinc/01/78/91/1397017891.db2.gz QYPFZNSENOAVCR-ZDUSSCGKSA-N 0 0 344.386 2.796 10 10 EFCERN CCc1ccc(O)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001470019065 1397067356 /nfs/dbraw/zinc/06/73/56/1397067356.db2.gz CZIKYQZVNNVLIY-OAHLLOKOSA-N 0 0 340.423 2.972 10 10 EFCERN CCc1ccc(O)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001470019064 1397067599 /nfs/dbraw/zinc/06/75/99/1397067599.db2.gz CZIKYQZVNNVLIY-HNNXBMFYSA-N 0 0 340.423 2.972 10 10 EFCERN CCCC[C@H](O)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001470448047 1397090345 /nfs/dbraw/zinc/09/03/45/1397090345.db2.gz RUSQKJHXRJNROQ-SFHVURJKSA-N 0 0 348.487 2.595 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H](O)C(C)C ZINC001470556433 1397098672 /nfs/dbraw/zinc/09/86/72/1397098672.db2.gz VALFHLBIUBNQMN-YJBOKZPZSA-N 0 0 335.492 2.698 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1O ZINC001471194153 1397150044 /nfs/dbraw/zinc/15/00/44/1397150044.db2.gz DQCQYFZVAMDUOG-IINYFYTJSA-N 0 0 328.343 2.835 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2cc(Cl)cnc2n1 ZINC001471340012 1397162678 /nfs/dbraw/zinc/16/26/78/1397162678.db2.gz HRQHQSWKIQDKDP-UHFFFAOYSA-N 0 0 329.743 2.876 10 10 EFCERN O=C(Cc1ccc(Br)s1)NCc1cccc(O)c1O ZINC001471644574 1397192462 /nfs/dbraw/zinc/19/24/62/1397192462.db2.gz VKXPRYXEMXJUQS-UHFFFAOYSA-N 0 0 342.214 2.781 10 10 EFCERN Cc1noc2nc(C3CC3)cc(C(=O)NCc3cc(O)ccc3O)c12 ZINC001471661014 1397194918 /nfs/dbraw/zinc/19/49/18/1397194918.db2.gz DFPBBNYCEIKWIU-UHFFFAOYSA-N 0 0 339.351 2.750 10 10 EFCERN CN(C(=O)C1CC1)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001471959187 1397227069 /nfs/dbraw/zinc/22/70/69/1397227069.db2.gz WLEJHPDQXXONHB-UHFFFAOYSA-N 0 0 340.379 2.652 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](c2cnccn2)C1 ZINC001472053674 1397240197 /nfs/dbraw/zinc/24/01/97/1397240197.db2.gz MEBFSOFKPGBZAO-JTQLQIEISA-N 0 0 341.392 2.732 10 10 EFCERN O=C(NCc1c(O)cccc1O)C(F)(F)c1c(F)cccc1F ZINC001472063448 1397242060 /nfs/dbraw/zinc/24/20/60/1397242060.db2.gz KRMWSTGDNVMDNJ-UHFFFAOYSA-N 0 0 329.249 2.784 10 10 EFCERN CCOC1(C(=O)NCc2c(O)ccc3ccccc32)CCOCC1 ZINC001472084801 1397244841 /nfs/dbraw/zinc/24/48/41/1397244841.db2.gz DNUUCBTWUHVPKW-UHFFFAOYSA-N 0 0 329.396 2.747 10 10 EFCERN CC(=O)Nc1cnccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085272 1397245546 /nfs/dbraw/zinc/24/55/46/1397245546.db2.gz OFVAMQIPVOFKJH-UHFFFAOYSA-N 0 0 335.363 2.829 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001472086158 1397245586 /nfs/dbraw/zinc/24/55/86/1397245586.db2.gz ODGBLOKXMOBFGM-IBGZPJMESA-N 0 0 347.370 2.943 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001472649187 1397265888 /nfs/dbraw/zinc/26/58/88/1397265888.db2.gz VGAHJHUVTYEEQG-UHFFFAOYSA-N 0 0 328.372 2.932 10 10 EFCERN COC(=O)c1cc(OC[C@@H]2CCCC[C@@H]2C(=O)OC)ccc1N(C)C ZINC001473077392 1397280767 /nfs/dbraw/zinc/28/07/67/1397280767.db2.gz SCYPYLJATDKVEP-ZFWWWQNUSA-N 0 0 349.427 2.897 10 10 EFCERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1ccc(F)cc1 ZINC001473076429 1397281069 /nfs/dbraw/zinc/28/10/69/1397281069.db2.gz XJISAHZIJFYDPU-UHFFFAOYSA-N 0 0 343.318 2.616 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCn3c(C)nnc3[C@@H]2C)c1O ZINC001473904896 1397349617 /nfs/dbraw/zinc/34/96/17/1397349617.db2.gz ABXIWBRQTNCISH-VIFPVBQESA-N 0 0 334.807 2.725 10 10 EFCERN COc1ccc(CNC(=O)NCc2noc3ccc(F)cc23)c(O)c1 ZINC001479147961 1397613548 /nfs/dbraw/zinc/61/35/48/1397613548.db2.gz TWGAYIWDLGXPNL-UHFFFAOYSA-N 0 0 345.330 2.681 10 10 EFCERN C[C@@H]1C[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001493356951 1398637621 /nfs/dbraw/zinc/63/76/21/1398637621.db2.gz RMGDHLUXHJFHFW-BMFZPTHFSA-N 0 0 342.443 2.780 10 10 EFCERN CCOCc1nnc(N(C)C2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001728979002 1426319257 /nfs/dbraw/zinc/31/92/57/1426319257.db2.gz SYHWKINACMQUKK-UHFFFAOYSA-N 0 0 343.475 2.836 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)C(C)C ZINC001513799495 1413647343 /nfs/dbraw/zinc/64/73/43/1413647343.db2.gz WXDNDYWOIOVOTD-SFHVURJKSA-N 0 0 332.448 2.590 10 10 EFCERN COc1ccc(N2CCN(c3nnc(C)n3[C@H]3C[C@H]3C)CC2)cc1F ZINC001554959417 1415025737 /nfs/dbraw/zinc/02/57/37/1415025737.db2.gz NDFMBNHGBDUZJH-WBMJQRKESA-N 0 0 345.422 2.642 10 10 EFCERN CON(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C ZINC001555763393 1415042945 /nfs/dbraw/zinc/04/29/45/1415042945.db2.gz MTPCEKMHGNXSAJ-UHFFFAOYSA-N 0 0 340.431 2.694 10 10 EFCERN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc(O)c(O)c1 ZINC001556123566 1415054655 /nfs/dbraw/zinc/05/46/55/1415054655.db2.gz REVWUPDCXYMFPE-OAHLLOKOSA-N 0 0 341.407 2.885 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC001556158161 1415056489 /nfs/dbraw/zinc/05/64/89/1415056489.db2.gz TWSCDBBNRCDVJI-JWJUJFCLSA-N 0 0 325.364 2.671 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001556278833 1415061545 /nfs/dbraw/zinc/06/15/45/1415061545.db2.gz HYRZUBVSSPVOOP-ROUUACIJSA-N 0 0 340.423 2.796 10 10 EFCERN COc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001556354862 1415065330 /nfs/dbraw/zinc/06/53/30/1415065330.db2.gz XBWXQZTWYBBKJA-HOTGVXAUSA-N 0 0 342.351 2.729 10 10 EFCERN COc1ccc(CNC(=O)Cc2c[nH]c3nccc(Cl)c23)c(O)c1 ZINC001556354468 1415065442 /nfs/dbraw/zinc/06/54/42/1415065442.db2.gz LAGCSWCQLZMFPL-UHFFFAOYSA-N 0 0 345.786 2.789 10 10 EFCERN CO[C@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001556682657 1415081974 /nfs/dbraw/zinc/08/19/74/1415081974.db2.gz GULFMEWENYAPED-SINXNMPMSA-N 0 0 327.380 2.789 10 10 EFCERN CCN1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1=O ZINC001556709908 1415083434 /nfs/dbraw/zinc/08/34/34/1415083434.db2.gz PHBYDHZMIVJSCR-HNNXBMFYSA-N 0 0 343.402 2.584 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)C2CCCCC2)cc1 ZINC001556807628 1415089339 /nfs/dbraw/zinc/08/93/39/1415089339.db2.gz LXCVHBGFXVBLCM-CQSZACIVSA-N 0 0 332.404 2.768 10 10 EFCERN COc1ccc2c(c1)C1(CC1)CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001556891095 1415093313 /nfs/dbraw/zinc/09/33/13/1415093313.db2.gz FZFUVCPLBUHNIF-UHFFFAOYSA-N 0 0 339.391 2.723 10 10 EFCERN O=C(CCCOc1ccc(F)cc1F)NCc1ccc(O)cc1O ZINC001557084875 1415103539 /nfs/dbraw/zinc/10/35/39/1415103539.db2.gz REPFTRWSFXZHGW-UHFFFAOYSA-N 0 0 337.322 2.851 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1c(F)cccc1F ZINC001557085012 1415103822 /nfs/dbraw/zinc/10/38/22/1415103822.db2.gz YPYWTYNKKUDUCB-UHFFFAOYSA-N 0 0 345.305 2.696 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1ccco1 ZINC001557113735 1415106257 /nfs/dbraw/zinc/10/62/57/1415106257.db2.gz HFUJYCMRHKOJOO-KTKRTIGZSA-N 0 0 329.352 2.590 10 10 EFCERN O=C(Cn1nnc2ccccc21)NCc1ccc(N2CCCCC2)cc1 ZINC001557139743 1415107934 /nfs/dbraw/zinc/10/79/34/1415107934.db2.gz LNVUOYLUJVAZAR-UHFFFAOYSA-N 0 0 349.438 2.738 10 10 EFCERN CCN(C(C)=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC001557460790 1415127003 /nfs/dbraw/zinc/12/70/03/1415127003.db2.gz DJCUEYGFTKAOKU-UITAMQMPSA-N 0 0 341.367 2.518 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001557553365 1415131556 /nfs/dbraw/zinc/13/15/56/1415131556.db2.gz WBLAFEFHRJEPCK-UHFFFAOYSA-N 0 0 332.331 2.997 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCC1CCc2ccccc2CC1 ZINC001557651073 1415135676 /nfs/dbraw/zinc/13/56/76/1415135676.db2.gz ULVQWDZZWRBFRS-UHFFFAOYSA-N 0 0 325.408 2.952 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Oc2cccnn2)cc1 ZINC001557660338 1415136238 /nfs/dbraw/zinc/13/62/38/1415136238.db2.gz LHVNKROJGGJIBO-UHFFFAOYSA-N 0 0 337.335 2.861 10 10 EFCERN C[C@@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)c1ccccc1O ZINC001557967107 1415153040 /nfs/dbraw/zinc/15/30/40/1415153040.db2.gz VVAOUKHPEWVUEJ-CYBMUJFWSA-N 0 0 336.395 2.608 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)c1ccccc1O ZINC001557968273 1415153097 /nfs/dbraw/zinc/15/30/97/1415153097.db2.gz WYSOAXIVXBLTTQ-PWUWZPNHSA-N 0 0 344.455 2.997 10 10 EFCERN C[C@@H](NC(=O)c1coc(Sc2ncccn2)n1)c1ccccc1O ZINC001557967020 1415153252 /nfs/dbraw/zinc/15/32/52/1415153252.db2.gz UHHOTWWRIYUUIZ-SNVBAGLBSA-N 0 0 342.380 2.812 10 10 EFCERN COc1ccc2[nH]c(C)c(C(=O)NCc3cc(O)ccc3O)c2c1 ZINC001558175182 1415163914 /nfs/dbraw/zinc/16/39/14/1415163914.db2.gz HBLMZXSQLRGZCE-UHFFFAOYSA-N 0 0 326.352 2.826 10 10 EFCERN COc1ccc(C[C@H](C)C(=O)NCc2cc(O)ccc2O)cc1OC ZINC001558175178 1415164149 /nfs/dbraw/zinc/16/41/49/1415164149.db2.gz GYTFOUQZPPRGGT-LBPRGKRZSA-N 0 0 345.395 2.610 10 10 EFCERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cc(O)ccc2O)cc1Cl ZINC001558175235 1415164406 /nfs/dbraw/zinc/16/44/06/1415164406.db2.gz JDHRZCXITHRLNT-UHFFFAOYSA-N 0 0 336.731 2.898 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ncccn1 ZINC001558181415 1415165205 /nfs/dbraw/zinc/16/52/05/1415165205.db2.gz QVFWCYSEZNYHAZ-IZPAUZPXSA-N 0 0 325.368 2.655 10 10 EFCERN Cc1ccc(C)c(C(=O)CCC(=O)NCc2c(O)cccc2O)c1 ZINC001558533532 1415186114 /nfs/dbraw/zinc/18/61/14/1415186114.db2.gz FBWFYXULJKRKIE-UHFFFAOYSA-N 0 0 327.380 2.994 10 10 EFCERN CN(C)c1cc(C(=O)NCc2c(O)cccc2O)nc2ccccc21 ZINC001558536078 1415186855 /nfs/dbraw/zinc/18/68/55/1415186855.db2.gz SBTISKORZPRSEJ-UHFFFAOYSA-N 0 0 337.379 2.642 10 10 EFCERN C[C@H](C(=O)NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001558535536 1415186991 /nfs/dbraw/zinc/18/69/91/1415186991.db2.gz JJBSIRXNFPVNKI-VIFPVBQESA-N 0 0 334.303 2.565 10 10 EFCERN Cc1oc(-c2cccs2)nc1CC(=O)NCc1c(O)cccc1O ZINC001558534546 1415187284 /nfs/dbraw/zinc/18/72/84/1415187284.db2.gz UGNRTUNTKPACAW-UHFFFAOYSA-N 0 0 344.392 2.982 10 10 EFCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(-c2ccncc2)n1 ZINC001558756899 1415199956 /nfs/dbraw/zinc/19/99/56/1415199956.db2.gz GYDYDYZEYCUGNF-UHFFFAOYSA-N 0 0 342.786 2.771 10 10 EFCERN O=C(NCCc1coc(-c2ccccc2)n1)c1c(F)ccc(O)c1O ZINC001558924696 1415211910 /nfs/dbraw/zinc/21/19/10/1415211910.db2.gz GQJRPNLNBSTPPS-UHFFFAOYSA-N 0 0 342.326 2.864 10 10 EFCERN NC(=O)c1cc(NCc2ccc3cccnc3c2O)ccc1[N+](=O)[O-] ZINC001559216525 1415230700 /nfs/dbraw/zinc/23/07/00/1415230700.db2.gz CNKMGCHDBJNAOK-UHFFFAOYSA-N 0 0 338.323 2.560 10 10 EFCERN C[C@H](Nc1ccc2nnc(Br)n2n1)c1ccccc1O ZINC001559259479 1415234286 /nfs/dbraw/zinc/23/42/86/1415234286.db2.gz ZDLSJWQMHRXFQY-QMMMGPOBSA-N 0 0 334.177 2.766 10 10 EFCERN COC[C@H](CN(CC(=O)OC)Cc1cc(Cl)ccc1O)C(C)C ZINC001559607778 1415251250 /nfs/dbraw/zinc/25/12/50/1415251250.db2.gz XHGBCFVQUAXEFB-AWEZNQCLSA-N 0 0 343.851 2.939 10 10 EFCERN CCOc1ccc(N(CC(=O)N2CCOC(C)(C)C2)CC2CC2)cc1 ZINC001560070254 1415262592 /nfs/dbraw/zinc/26/25/92/1415262592.db2.gz SFCQRSIKTRVUEN-UHFFFAOYSA-N 0 0 346.471 2.939 10 10 EFCERN C[C@H](NC(=O)NCc1ccc2c(=O)cc[nH]c2c1)c1ccccc1O ZINC001564892438 1415384790 /nfs/dbraw/zinc/38/47/90/1415384790.db2.gz ZOXIBGAGGFBMOL-LBPRGKRZSA-N 0 0 337.379 2.794 10 10 EFCERN COc1ccc(CNC(=O)NCc2cc(OC)ccc2F)c(O)c1 ZINC001565112451 1415389883 /nfs/dbraw/zinc/38/98/83/1415389883.db2.gz MWCMHGLSQODZPO-UHFFFAOYSA-N 0 0 334.347 2.548 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2ncc[nH]2)c1 ZINC001565605095 1415407123 /nfs/dbraw/zinc/40/71/23/1415407123.db2.gz KDYGUICXVCZVCL-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001565663890 1415409324 /nfs/dbraw/zinc/40/93/24/1415409324.db2.gz QGDXBLULJLOMME-QZTJIDSGSA-N 0 0 344.455 2.738 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC001565696638 1415410604 /nfs/dbraw/zinc/41/06/04/1415410604.db2.gz BMAIDPQOMKHCKA-UHFFFAOYSA-N 0 0 344.342 2.545 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001565701793 1415411264 /nfs/dbraw/zinc/41/12/64/1415411264.db2.gz MOOCDFAXFVXCOY-TYKWCNGQSA-N 0 0 338.451 2.770 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCCCC2 ZINC001565802987 1415416754 /nfs/dbraw/zinc/41/67/54/1415416754.db2.gz XYZIJVMHKWKHPM-IRXDYDNUSA-N 0 0 333.428 2.884 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccn(Cc2ccccc2)c1 ZINC001566369738 1415543631 /nfs/dbraw/zinc/54/36/31/1415543631.db2.gz SQNNDLLZFMCFJS-UHFFFAOYSA-N 0 0 336.391 2.920 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(N=S(C)(C)=O)cc2)c1O ZINC001566374721 1415544153 /nfs/dbraw/zinc/54/41/53/1415544153.db2.gz RSFRSGZKYCHIDB-UHFFFAOYSA-N 0 0 348.424 2.690 10 10 EFCERN COc1cccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)c1O ZINC001566374117 1415544205 /nfs/dbraw/zinc/54/42/05/1415544205.db2.gz UUGKLIFVNOMZRZ-UHFFFAOYSA-N 0 0 343.314 2.520 10 10 EFCERN O=C(NCc1ccccc1O)c1ccc(NCCn2ccnc2)cc1 ZINC001566374160 1415544341 /nfs/dbraw/zinc/54/43/41/1415544341.db2.gz WTFGTMQKHMJUIQ-UHFFFAOYSA-N 0 0 336.395 2.631 10 10 EFCERN CC(C)c1nnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001567256422 1416028541 /nfs/dbraw/zinc/02/85/41/1416028541.db2.gz ICVRMJGHNMOWBW-VIFPVBQESA-N 0 0 329.364 2.582 10 10 EFCERN COc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001567467098 1416149904 /nfs/dbraw/zinc/14/99/04/1416149904.db2.gz AUGGXHQUKNVVOS-VIFPVBQESA-N 0 0 337.322 2.746 10 10 EFCERN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001683254335 1416679666 /nfs/dbraw/zinc/67/96/66/1416679666.db2.gz OXGJHHBBMYFOEB-BJZITVGISA-N 0 0 333.476 2.859 10 10 EFCERN Cc1cc(CNC(=O)NC[C@@H](O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC001683303811 1416680060 /nfs/dbraw/zinc/68/00/60/1416680060.db2.gz PSUFUAAZZZAJPZ-LJQANCHMSA-N 0 0 341.455 2.973 10 10 EFCERN C[C@H](NC(=O)NCc1ccnc(-c2ccccn2)n1)c1ccccc1O ZINC001683718532 1416682889 /nfs/dbraw/zinc/68/28/89/1416682889.db2.gz GWVJJHLQDBLAMR-ZDUSSCGKSA-N 0 0 349.394 2.805 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001684377905 1416719772 /nfs/dbraw/zinc/71/97/72/1416719772.db2.gz PPYSXCWXCSZNNP-IEBWSBKVSA-N 0 0 343.471 2.996 10 10 EFCERN Cc1cc(CNC(=O)N[C@@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC001684478578 1416722009 /nfs/dbraw/zinc/72/20/09/1416722009.db2.gz BVXBDUWADNYYLQ-AWEZNQCLSA-N 0 0 329.444 2.973 10 10 EFCERN O=C(NCc1ccccc1O)NCc1ncccc1Br ZINC001685760545 1416771599 /nfs/dbraw/zinc/77/15/99/1416771599.db2.gz INVPPXXNKWLHJP-UHFFFAOYSA-N 0 0 336.189 2.549 10 10 EFCERN CC(=O)c1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1 ZINC001685765620 1416771854 /nfs/dbraw/zinc/77/18/54/1416771854.db2.gz CNZBIUVWUOMAMV-UHFFFAOYSA-N 0 0 326.396 2.979 10 10 EFCERN CCOCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001710832407 1418257204 /nfs/dbraw/zinc/25/72/04/1418257204.db2.gz BIKBMRAEXLWNOV-UHFFFAOYSA-N 0 0 330.432 2.609 10 10 EFCERN CO[C@H](C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001711520276 1418263448 /nfs/dbraw/zinc/26/34/48/1418263448.db2.gz VEJDPRQCFXSIHK-CYBMUJFWSA-N 0 0 330.432 2.608 10 10 EFCERN CO[C@@H](C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001711520278 1418264201 /nfs/dbraw/zinc/26/42/01/1418264201.db2.gz VEJDPRQCFXSIHK-ZDUSSCGKSA-N 0 0 330.432 2.608 10 10 EFCERN CCCCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725990530 1426017260 /nfs/dbraw/zinc/01/72/60/1426017260.db2.gz XSGOUCKCHYQGSZ-GFCCVEGCSA-N 0 0 347.419 2.616 10 10 EFCERN CC[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001727276296 1426298470 /nfs/dbraw/zinc/29/84/70/1426298470.db2.gz QACDPJVQYOYTTC-MRXNPFEDSA-N 0 0 344.459 2.998 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCO[C@@H](C)C2)cc1 ZINC001728382583 1426315614 /nfs/dbraw/zinc/31/56/14/1426315614.db2.gz VXQRZUCLMQLGHL-HNNXBMFYSA-N 0 0 343.475 2.706 10 10 EFCERN CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)OC ZINC000175767704 713268307 /nfs/dbraw/zinc/26/83/07/713268307.db2.gz ISGMETDJSKGBRO-MRXNPFEDSA-N 0 0 332.375 2.915 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762479 713449281 /nfs/dbraw/zinc/44/92/81/713449281.db2.gz DPVFZOBOLDBEPU-WDEREUQCSA-N 0 0 325.792 2.641 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1coc(C2CC2)n1 ZINC000804733158 713454725 /nfs/dbraw/zinc/45/47/25/713454725.db2.gz KODBKHMFLPSOGV-UHFFFAOYSA-N 0 0 337.173 2.950 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCC1=O ZINC000804735454 713455152 /nfs/dbraw/zinc/45/51/52/713455152.db2.gz ZNSNDSABUDEMQP-NXEZZACHSA-N 0 0 340.217 2.776 10 10 EFCERN CCn1nc(C)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804735436 713455213 /nfs/dbraw/zinc/45/52/13/713455213.db2.gz YYLGSESTCOWOML-UHFFFAOYSA-N 0 0 338.205 2.610 10 10 EFCERN C[C@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCC1=O ZINC000804735456 713455307 /nfs/dbraw/zinc/45/53/07/713455307.db2.gz ZNSNDSABUDEMQP-VHSXEESVSA-N 0 0 340.217 2.776 10 10 EFCERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCOCC1 ZINC000804736167 713455355 /nfs/dbraw/zinc/45/53/55/713455355.db2.gz PHKVMWLINQPARQ-SNVBAGLBSA-N 0 0 342.233 2.834 10 10 EFCERN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccccn1 ZINC000804736152 713455366 /nfs/dbraw/zinc/45/53/66/713455366.db2.gz OXBUCICOWCSRFJ-JTQLQIEISA-N 0 0 335.201 2.970 10 10 EFCERN O=C(COc1ccsc1)NCc1cc(Br)ccc1O ZINC000804735739 713455417 /nfs/dbraw/zinc/45/54/17/713455417.db2.gz HPVOVXMPAPSYKD-UHFFFAOYSA-N 0 0 342.214 2.911 10 10 EFCERN COC1(CC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804736400 713455816 /nfs/dbraw/zinc/45/58/16/713455816.db2.gz UYGLSVLKODRNEE-UHFFFAOYSA-N 0 0 328.206 2.730 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc[nH]c1=S ZINC000804736890 713456024 /nfs/dbraw/zinc/45/60/24/713456024.db2.gz CUZFBOVWSXDBSF-UHFFFAOYSA-N 0 0 339.214 2.768 10 10 EFCERN O=C(Cc1cccc(O)c1)NCc1cc(Br)ccc1O ZINC000804737352 713456033 /nfs/dbraw/zinc/45/60/33/713456033.db2.gz PNNVMCVUXIENLM-UHFFFAOYSA-N 0 0 336.185 2.719 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CC12CCOCC2 ZINC000804738456 713456231 /nfs/dbraw/zinc/45/62/31/713456231.db2.gz QMTBEMXHYSYMSC-GFCCVEGCSA-N 0 0 340.217 2.588 10 10 EFCERN Cc1nc(CC(=O)NCc2cc(Br)ccc2O)cs1 ZINC000804738922 713456319 /nfs/dbraw/zinc/45/63/19/713456319.db2.gz JNESTKTWDXVKSB-UHFFFAOYSA-N 0 0 341.230 2.779 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc(F)cn1 ZINC000804738625 713456369 /nfs/dbraw/zinc/45/63/69/713456369.db2.gz XRYWYHCDKIUDCB-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738162 713456492 /nfs/dbraw/zinc/45/64/92/713456492.db2.gz FFVKMRWZAGHJBN-RNCFNFMXSA-N 0 0 340.217 2.776 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)C1SCCS1 ZINC000804741372 713457023 /nfs/dbraw/zinc/45/70/23/713457023.db2.gz WOLORQOMZROXFN-UHFFFAOYSA-N 0 0 334.260 2.577 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1cccc(CO)c1 ZINC000804741354 713457098 /nfs/dbraw/zinc/45/70/98/713457098.db2.gz WIEPQYWVBULZLD-UHFFFAOYSA-N 0 0 336.185 2.577 10 10 EFCERN CCN(C[C@@H]1CCCO1)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000065898686 717953373 /nfs/dbraw/zinc/95/33/73/717953373.db2.gz MCTBXVOESZYMRJ-AWEZNQCLSA-N 0 0 327.384 2.892 10 10 EFCERN COCCN1C(=O)/C(=C/c2ccccc2Cl)C(C(=O)OC)=C1C ZINC000096834051 714660144 /nfs/dbraw/zinc/66/01/44/714660144.db2.gz KDGVKVNCALYLSM-JLHYYAGUSA-N 0 0 335.787 2.659 10 10 EFCERN Cc1noc(C)c1CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000084854059 714954093 /nfs/dbraw/zinc/95/40/93/714954093.db2.gz SBXJFXFTKUVKQF-UHFFFAOYSA-N 0 0 330.432 2.789 10 10 EFCERN O=C(NCCCSc1nccs1)NCCCc1ccccn1 ZINC000178403880 715326394 /nfs/dbraw/zinc/32/63/94/715326394.db2.gz BMUQYHCRXNEDBI-UHFFFAOYSA-N 0 0 336.486 2.952 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000781908665 716422656 /nfs/dbraw/zinc/42/26/56/716422656.db2.gz KUBKPSBZADFKSS-FDMGOTLNSA-N 0 0 346.290 2.804 10 10 EFCERN C[C@]12COC[C@H]1C[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895273815 723967560 /nfs/dbraw/zinc/96/75/60/723967560.db2.gz DWCPIHDLWIUAOZ-YGRLFVJLSA-N 0 0 330.197 2.762 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000895809063 724320351 /nfs/dbraw/zinc/32/03/51/724320351.db2.gz FOMOYUCOINYUNL-CYBMUJFWSA-N 0 0 336.388 2.748 10 10 EFCERN CCN(Cc1cnn(C)c1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255719985 717452356 /nfs/dbraw/zinc/45/23/56/717452356.db2.gz BHYMYKVOVSYISH-VURMDHGXSA-N 0 0 344.371 2.541 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)/C=C\c1ccccc1 ZINC000255722386 717454538 /nfs/dbraw/zinc/45/45/38/717454538.db2.gz ZYNJKBVVMCFAKE-RAXLEYEMSA-N 0 0 344.436 2.952 10 10 EFCERN CCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000162922487 717815213 /nfs/dbraw/zinc/81/52/13/717815213.db2.gz REQWJLRJHNLGAG-UHFFFAOYSA-N 0 0 343.402 2.709 10 10 EFCERN CCCN(Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000177592837 718121886 /nfs/dbraw/zinc/12/18/86/718121886.db2.gz OOVKAWNPDXTSNV-UHFFFAOYSA-N 0 0 333.457 2.549 10 10 EFCERN CCOc1cccc(CNCc2nn(C)cc2Br)c1O ZINC000393321648 718287428 /nfs/dbraw/zinc/28/74/28/718287428.db2.gz BVKJDFRUVOHGRD-UHFFFAOYSA-N 0 0 340.221 2.577 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1sc(C)nc1C ZINC000935943804 718729285 /nfs/dbraw/zinc/72/92/85/718729285.db2.gz FITFEZLBLFEYSL-UHFFFAOYSA-N 0 0 325.430 2.810 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(C)c(C)c1Cl ZINC000935944990 718738818 /nfs/dbraw/zinc/73/88/18/718738818.db2.gz GZKPCTVZCLUQRD-UHFFFAOYSA-N 0 0 328.796 2.503 10 10 EFCERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1c(O)cccc1F ZINC000928705221 724580842 /nfs/dbraw/zinc/58/08/42/724580842.db2.gz HRFSUNPCAYRBSO-UHFFFAOYSA-N 0 0 333.388 2.726 10 10 EFCERN CN(CCCC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000928711139 724588054 /nfs/dbraw/zinc/58/80/54/724588054.db2.gz FIQAKBAFMUQNSW-UHFFFAOYSA-N 0 0 340.395 2.795 10 10 EFCERN COC(C)(C)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000925515413 719808174 /nfs/dbraw/zinc/80/81/74/719808174.db2.gz IBPDCCQWLHPWCB-SECBINFHSA-N 0 0 345.237 2.767 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)OCCc1cnnn1C ZINC000893769282 720086204 /nfs/dbraw/zinc/08/62/04/720086204.db2.gz YENQIESDTOZCHJ-UHFFFAOYSA-N 0 0 330.413 2.684 10 10 EFCERN CCN(CC)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893977892 720194106 /nfs/dbraw/zinc/19/41/06/720194106.db2.gz MVJPAKASVMBBQN-UHFFFAOYSA-N 0 0 326.387 2.751 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000178686045 720377008 /nfs/dbraw/zinc/37/70/08/720377008.db2.gz IAVGRHAGFZOIGT-CQSZACIVSA-N 0 0 343.475 2.995 10 10 EFCERN Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)ccn1C ZINC000195122271 721100770 /nfs/dbraw/zinc/10/07/70/721100770.db2.gz MNNJFYYRMJESNL-UHFFFAOYSA-N 0 0 329.469 2.817 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928134648 721979060 /nfs/dbraw/zinc/97/90/60/721979060.db2.gz CTEXNMPQWMVITF-QQHVMHFCSA-N 0 0 333.331 2.617 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(CCO)CCC1 ZINC000154429689 728756157 /nfs/dbraw/zinc/75/61/57/728756157.db2.gz HTSGITCMNOHESJ-UHFFFAOYSA-N 0 0 327.384 2.533 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1 ZINC000894447377 722739753 /nfs/dbraw/zinc/73/97/53/722739753.db2.gz ZUOKXNVQZFLRIP-UHFFFAOYSA-N 0 0 341.367 2.719 10 10 EFCERN COC(=O)c1c(CN[C@@H](C)c2nc(C)no2)c2cc(F)ccc2n1C ZINC000894541275 722776622 /nfs/dbraw/zinc/77/66/22/722776622.db2.gz AJNDUTKDGTXBGA-VIFPVBQESA-N 0 0 346.362 2.646 10 10 EFCERN CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594409 722793036 /nfs/dbraw/zinc/79/30/36/722793036.db2.gz JIHFLYFOAVZXQW-OAHLLOKOSA-N 0 0 345.487 2.687 10 10 EFCERN CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594408 722793096 /nfs/dbraw/zinc/79/30/96/722793096.db2.gz JIHFLYFOAVZXQW-HNNXBMFYSA-N 0 0 345.487 2.687 10 10 EFCERN CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596856 722793639 /nfs/dbraw/zinc/79/36/39/722793639.db2.gz FDARZNZTUXRIHY-FLIBITNWSA-N 0 0 343.471 2.607 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)NCCCSc2nccs2)[nH]n1 ZINC000154484586 728776231 /nfs/dbraw/zinc/77/62/31/728776231.db2.gz ONFIZGJCFFTCPU-SNVBAGLBSA-N 0 0 339.490 2.587 10 10 EFCERN COCC1(C)CN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894980035 723042501 /nfs/dbraw/zinc/04/25/01/723042501.db2.gz GYJCOXVVFSQGCT-UHFFFAOYSA-N 0 0 334.391 2.572 10 10 EFCERN COc1ccc(CCC(=O)NCCCSc2nccs2)cn1 ZINC000896332929 723252165 /nfs/dbraw/zinc/25/21/65/723252165.db2.gz ARRAAOPWENQUEK-UHFFFAOYSA-N 0 0 337.470 2.778 10 10 EFCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2CCO[C@@H]21 ZINC000896604059 723402964 /nfs/dbraw/zinc/40/29/64/723402964.db2.gz SRAGZQDGBBMQPB-AMFBXLIHSA-N 0 0 333.409 2.856 10 10 EFCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2CCO[C@H]21 ZINC000896604061 723403052 /nfs/dbraw/zinc/40/30/52/723403052.db2.gz SRAGZQDGBBMQPB-TZTCFGBESA-N 0 0 333.409 2.856 10 10 EFCERN CC(=O)N(c1nc(CNCc2c(O)cccc2F)cs1)C1CC1 ZINC000896640693 723420444 /nfs/dbraw/zinc/42/04/44/723420444.db2.gz MEGAYIQUIRRYMC-UHFFFAOYSA-N 0 0 335.404 2.793 10 10 EFCERN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000895134537 723421548 /nfs/dbraw/zinc/42/15/48/723421548.db2.gz FUWMGZHTHSOKJL-UHFFFAOYSA-N 0 0 348.624 2.993 10 10 EFCERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)OC1CCCCC1 ZINC000896831277 723516269 /nfs/dbraw/zinc/51/62/69/723516269.db2.gz MIERWHSDIISLKW-UHFFFAOYSA-N 0 0 349.408 2.918 10 10 EFCERN COc1ccc(NC(=O)NCc2ccccc2O)c(OC)c1OC ZINC000727939262 723516814 /nfs/dbraw/zinc/51/68/14/723516814.db2.gz UNFRWZVCQUDFFN-UHFFFAOYSA-N 0 0 332.356 2.740 10 10 EFCERN O=C(NC[C@@H]1CSCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000896893527 723594465 /nfs/dbraw/zinc/59/44/65/723594465.db2.gz QYMGEEGVEOSEOB-SECBINFHSA-N 0 0 341.479 2.891 10 10 EFCERN CCCN(CC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000918177872 728849628 /nfs/dbraw/zinc/84/96/28/728849628.db2.gz MEOHVJXNHLEKQZ-UHFFFAOYSA-N 0 0 345.395 2.717 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c2cc(F)ccc2n1C ZINC000895336198 724044213 /nfs/dbraw/zinc/04/42/13/724044213.db2.gz QJAJZOVUOBRUOU-QWHCGFSZSA-N 0 0 346.402 2.572 10 10 EFCERN O=C1N(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C[C@@H]2CCCCN12 ZINC000895345234 724053708 /nfs/dbraw/zinc/05/37/08/724053708.db2.gz YPYHHPLPXBCWRX-ZDUSSCGKSA-N 0 0 341.814 2.564 10 10 EFCERN O=C1N(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C[C@@H]2CCCCN12 ZINC000895347114 724054814 /nfs/dbraw/zinc/05/48/14/724054814.db2.gz ZGPZYGDWMGVSRR-NSHDSACASA-N 0 0 341.814 2.564 10 10 EFCERN COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376704 724087424 /nfs/dbraw/zinc/08/74/24/724087424.db2.gz IKRYBXYZENCDTG-CHWSQXEVSA-N 0 0 348.418 2.554 10 10 EFCERN Cn1ccnc1[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897218395 724087590 /nfs/dbraw/zinc/08/75/90/724087590.db2.gz NEKGJLVFBLKLFP-SNVBAGLBSA-N 0 0 343.408 2.676 10 10 EFCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)(F)F ZINC000897268708 724159841 /nfs/dbraw/zinc/15/98/41/724159841.db2.gz PEECXEVESRJRSH-MADCSZMMSA-N 0 0 349.330 2.744 10 10 EFCERN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC000895497049 724168025 /nfs/dbraw/zinc/16/80/25/724168025.db2.gz FHOBCOWQYWBYDT-CQSZACIVSA-N 0 0 348.349 2.962 10 10 EFCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677483 724248610 /nfs/dbraw/zinc/24/86/10/724248610.db2.gz MEXFWIDKUAUQFY-QMMMGPOBSA-N 0 0 337.647 2.833 10 10 EFCERN COc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000895711343 724270764 /nfs/dbraw/zinc/27/07/64/724270764.db2.gz PANBCDNOJGMCGM-UHFFFAOYSA-N 0 0 339.439 2.939 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895755503 724299620 /nfs/dbraw/zinc/29/96/20/724299620.db2.gz IBDYDFGYEVZZEE-INIZCTEOSA-N 0 0 333.428 2.717 10 10 EFCERN CN(C)c1ccc(CN2CCCn3nncc3C2)c(C(F)(F)F)c1 ZINC000895755535 724299738 /nfs/dbraw/zinc/29/97/38/724299738.db2.gz JFKDAQFOGMQTGW-UHFFFAOYSA-N 0 0 339.365 2.769 10 10 EFCERN COc1cc(CN2CCCn3nncc3C2)c(O)c(C(C)(C)C)c1 ZINC000895756401 724300209 /nfs/dbraw/zinc/30/02/09/724300209.db2.gz IASGRWFNDLRYCX-UHFFFAOYSA-N 0 0 330.432 2.696 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836302 724343030 /nfs/dbraw/zinc/34/30/30/724343030.db2.gz KZWDXGUQGDUPJN-GFCCVEGCSA-N 0 0 327.705 2.931 10 10 EFCERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 ZINC000895862908 724345847 /nfs/dbraw/zinc/34/58/47/724345847.db2.gz KCCJHRAIXUSHDS-RBUKOAKNSA-N 0 0 346.471 2.877 10 10 EFCERN CC(C)[C@H](O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897310138 724348046 /nfs/dbraw/zinc/34/80/46/724348046.db2.gz MSMDWSYXLGQNKJ-HNNXBMFYSA-N 0 0 335.425 2.839 10 10 EFCERN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895876441 724359444 /nfs/dbraw/zinc/35/94/44/724359444.db2.gz GBABCWCSLNSMLU-DNVCBOLYSA-N 0 0 343.471 2.802 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(C(C)(C)C)no2)c1 ZINC000728978527 724940122 /nfs/dbraw/zinc/94/01/22/724940122.db2.gz RGZJOJHJHZYMSQ-LLVKDONJSA-N 0 0 347.415 2.891 10 10 EFCERN COc1ccc(O)c(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000918745243 728920352 /nfs/dbraw/zinc/92/03/52/728920352.db2.gz HTKLGYOUPUJMOE-PHTAMDTFSA-N 0 0 336.457 2.874 10 10 EFCERN Cc1cc(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000913595709 725613387 /nfs/dbraw/zinc/61/33/87/725613387.db2.gz XHZKQGOBANOBGM-GFCCVEGCSA-N 0 0 335.411 2.972 10 10 EFCERN C[C@@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1ccccc1O ZINC000913763892 725853585 /nfs/dbraw/zinc/85/35/85/725853585.db2.gz UUXAHTLOYQMPCC-XCBNKYQSSA-N 0 0 326.607 2.691 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)CCCC(C)(F)F)cc1F ZINC000914014137 725984343 /nfs/dbraw/zinc/98/43/43/725984343.db2.gz OTXYEEFKKGXTBD-UHFFFAOYSA-N 0 0 338.395 2.747 10 10 EFCERN COc1cccc(CNS(=O)(=O)c2c(C)csc2C)c1O ZINC000914152848 726084175 /nfs/dbraw/zinc/08/41/75/726084175.db2.gz LMGHBPPOYSIQFI-UHFFFAOYSA-N 0 0 327.427 2.558 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000914180767 726155181 /nfs/dbraw/zinc/15/51/81/726155181.db2.gz VWUBJJARHZILPV-SCTDSRPQSA-N 0 0 341.455 2.677 10 10 EFCERN COc1ncccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000031320546 726176508 /nfs/dbraw/zinc/17/65/08/726176508.db2.gz OEQJOYBPTLEXGI-UHFFFAOYSA-N 0 0 336.351 2.584 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NC2CC(CC(=O)OC)C2)cc1 ZINC000914254363 726205242 /nfs/dbraw/zinc/20/52/42/726205242.db2.gz HHMUJDQJXFTCHC-UHFFFAOYSA-N 0 0 347.459 2.674 10 10 EFCERN C[C@H](OC(=O)/C=C/c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 ZINC000064184018 726292371 /nfs/dbraw/zinc/29/23/71/726292371.db2.gz DWXRJAIJWQDFQV-HQPKTYMTSA-N 0 0 342.439 2.636 10 10 EFCERN Cc1cccc2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)n21 ZINC000906855861 726812779 /nfs/dbraw/zinc/81/27/79/726812779.db2.gz NCLVDLWDCRNLFK-UHFFFAOYSA-N 0 0 336.395 2.748 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)cc(C)[nH]c2=O)c1 ZINC000907061691 726856808 /nfs/dbraw/zinc/85/68/08/726856808.db2.gz YAKCMTSMESLWLO-GFCCVEGCSA-N 0 0 330.384 2.538 10 10 EFCERN COC(=O)[C@H]1CCCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907272502 726900150 /nfs/dbraw/zinc/90/01/50/726900150.db2.gz BXDIUBFMIMIJDQ-LLVKDONJSA-N 0 0 349.408 2.870 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000907275641 726900685 /nfs/dbraw/zinc/90/06/85/726900685.db2.gz XCWSQVNRBIACLU-DZGCQCFKSA-N 0 0 333.428 2.884 10 10 EFCERN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC000731691031 726915678 /nfs/dbraw/zinc/91/56/78/726915678.db2.gz DQETWPQRNSAZAC-UHFFFAOYSA-N 0 0 334.327 2.598 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000153538925 726925714 /nfs/dbraw/zinc/92/57/14/726925714.db2.gz HFOAUQKIGDXYCS-ZDUSSCGKSA-N 0 0 327.384 2.938 10 10 EFCERN C[C@@H](NC(=O)c1coc2c1C(=O)NCCC2)c1ccc(N(C)C)cc1 ZINC000907491169 726953118 /nfs/dbraw/zinc/95/31/18/726953118.db2.gz CBCKMBQSEMETDB-GFCCVEGCSA-N 0 0 341.411 2.513 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)c1ccc(N(C)C)cc1 ZINC000907494295 726953837 /nfs/dbraw/zinc/95/38/37/726953837.db2.gz YJXDHZNTHYNMPT-FZKQIMNGSA-N 0 0 338.411 2.518 10 10 EFCERN COc1ccccc1[C@@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907493001 726953991 /nfs/dbraw/zinc/95/39/91/726953991.db2.gz NRMPUPSJGRQOEE-FZKQIMNGSA-N 0 0 328.412 2.672 10 10 EFCERN C[C@@H](CO)N(CC1CCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907546323 726962802 /nfs/dbraw/zinc/96/28/02/726962802.db2.gz RKXHMRLFKLOVRT-JTQLQIEISA-N 0 0 335.425 2.936 10 10 EFCERN COc1ccc(CNC(=O)C2=CC(=O)CS2)cc1OC(F)F ZINC000732269731 727013066 /nfs/dbraw/zinc/01/30/66/727013066.db2.gz LCORPMOQSPQVKW-UHFFFAOYSA-N 0 0 329.324 2.994 10 10 EFCERN CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907989211 727071684 /nfs/dbraw/zinc/07/16/84/727071684.db2.gz HQRXFJOQNDLPAL-SECBINFHSA-N 0 0 337.397 2.726 10 10 EFCERN CCCCN(Cc1ccccc1O)C(=O)c1cnn(C2CC2)c1N ZINC000908044301 727085987 /nfs/dbraw/zinc/08/59/87/727085987.db2.gz AISIUYFTTFJBKY-UHFFFAOYSA-N 0 0 328.416 2.948 10 10 EFCERN COC(=O)c1cc2ccccc2c(CN(C)Cc2cc[nH]n2)c1O ZINC000732671118 727183773 /nfs/dbraw/zinc/18/37/73/727183773.db2.gz SZQOJRXHTRTUAB-UHFFFAOYSA-N 0 0 325.368 2.687 10 10 EFCERN COc1cc(CN2CCN(C(=O)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000915832875 727198517 /nfs/dbraw/zinc/19/85/17/727198517.db2.gz IJWNSKHRTXVONR-UHFFFAOYSA-N 0 0 348.487 2.999 10 10 EFCERN Cc1nc(C2CCC2)sc1CC(=O)NCc1ccc(O)cc1O ZINC000910955422 727472933 /nfs/dbraw/zinc/47/29/33/727472933.db2.gz DSFCSAALYXWZIL-UHFFFAOYSA-N 0 0 332.425 2.989 10 10 EFCERN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910942985 727474984 /nfs/dbraw/zinc/47/49/84/727474984.db2.gz JHEQQXJAOOUQDW-UHFFFAOYSA-N 0 0 335.400 2.616 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3c(C)[nH]nc3Cl)C2)cc1 ZINC000911277695 727518766 /nfs/dbraw/zinc/51/87/66/727518766.db2.gz WEIPSBOBMIUPDC-GFCCVEGCSA-N 0 0 348.834 2.636 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCOC2(CCC2)C1 ZINC000911261448 727520545 /nfs/dbraw/zinc/52/05/45/727520545.db2.gz FCYFMSPKIAZEIQ-CQSZACIVSA-N 0 0 326.396 2.906 10 10 EFCERN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262415 727521118 /nfs/dbraw/zinc/52/11/18/727521118.db2.gz QHIPTERQCKIMEP-BZNIZROVSA-N 0 0 336.395 2.646 10 10 EFCERN CCn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1C1CC1 ZINC000911263646 727521753 /nfs/dbraw/zinc/52/17/53/727521753.db2.gz ZXQPGOGOJAHJBL-UHFFFAOYSA-N 0 0 336.395 2.964 10 10 EFCERN Cc1ncccc1/C=C/C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911682506 727581674 /nfs/dbraw/zinc/58/16/74/727581674.db2.gz ALOWQTPTCZRKRC-NPQIQWPPSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ccc(/C=C/C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cn1 ZINC000911692465 727584060 /nfs/dbraw/zinc/58/40/60/727584060.db2.gz PHTIBKLUMHCJSP-MVGZEHJDSA-N 0 0 326.371 2.740 10 10 EFCERN O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1cc(Cl)ccc1O ZINC000911897184 727617414 /nfs/dbraw/zinc/61/74/14/727617414.db2.gz HPFMDITZDWJINK-SECBINFHSA-N 0 0 347.025 2.783 10 10 EFCERN CN1C(=O)c2ccccc2/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000916141904 727660359 /nfs/dbraw/zinc/66/03/59/727660359.db2.gz YHAYXNVDIVVCLY-RGEXLXHISA-N 0 0 348.402 2.676 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912190606 727677012 /nfs/dbraw/zinc/67/70/12/727677012.db2.gz XIBOYZDTTMTOEP-GFCCVEGCSA-N 0 0 331.393 2.896 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cc(O)ccc3C)C2)cc1 ZINC000912292630 727689194 /nfs/dbraw/zinc/68/91/94/727689194.db2.gz NLRFDXKUOMEYBX-AWEZNQCLSA-N 0 0 326.396 2.718 10 10 EFCERN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912394525 727704945 /nfs/dbraw/zinc/70/49/45/727704945.db2.gz LUWLPEXLMIZHGP-JQWIXIFHSA-N 0 0 335.425 2.936 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCn2cncc21 ZINC000912585364 727727070 /nfs/dbraw/zinc/72/70/70/727727070.db2.gz SOPNQFUXPDWLOT-QGZVFWFLSA-N 0 0 348.406 2.978 10 10 EFCERN CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000733880854 727758733 /nfs/dbraw/zinc/75/87/33/727758733.db2.gz WHDZDFRNROFXLG-HSZRJFAPSA-N 0 0 332.469 2.901 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069966901 727901883 /nfs/dbraw/zinc/90/18/83/727901883.db2.gz UMWZMZATWMSAJV-UHFFFAOYSA-N 0 0 328.397 2.521 10 10 EFCERN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182040413 727903024 /nfs/dbraw/zinc/90/30/24/727903024.db2.gz CQLKPXVPAOBEGA-UHFFFAOYSA-N 0 0 346.330 2.627 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)cc1 ZINC000055446567 727936477 /nfs/dbraw/zinc/93/64/77/727936477.db2.gz JNCILVLMNOPLKH-GOSISDBHSA-N 0 0 345.487 2.796 10 10 EFCERN CO[C@H](C)c1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000156690048 727944170 /nfs/dbraw/zinc/94/41/70/727944170.db2.gz ALHPSLNIPYEDKI-SNVBAGLBSA-N 0 0 336.413 2.543 10 10 EFCERN CN(Cc1ccccc1O)C(=O)c1csc(-c2ncccn2)n1 ZINC000056878534 728051665 /nfs/dbraw/zinc/05/16/65/728051665.db2.gz QGDZSPCUSKGNTQ-UHFFFAOYSA-N 0 0 326.381 2.578 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)on1 ZINC000183432613 728078669 /nfs/dbraw/zinc/07/86/69/728078669.db2.gz KZXOUPZZFRGUDD-LLVKDONJSA-N 0 0 339.351 2.509 10 10 EFCERN Cc1ccn(-c2ccccc2CNC(=O)c2ccc(C)c(O)c2O)n1 ZINC000182828860 728382064 /nfs/dbraw/zinc/38/20/64/728382064.db2.gz YCXKQCRWFOPPOA-UHFFFAOYSA-N 0 0 337.379 2.830 10 10 EFCERN COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000182854585 728396117 /nfs/dbraw/zinc/39/61/17/728396117.db2.gz DJNRKAFHOBYINJ-FQEVSTJZSA-N 0 0 344.455 2.920 10 10 EFCERN C[C@@]1(CNC(=O)NCc2c(O)cccc2F)OCCc2ccccc21 ZINC000924019422 728991082 /nfs/dbraw/zinc/99/10/82/728991082.db2.gz XFVTYBUOGSRWLX-IBGZPJMESA-N 0 0 344.386 2.819 10 10 EFCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NOCCC(F)(F)F ZINC000154953117 729010753 /nfs/dbraw/zinc/01/07/53/729010753.db2.gz KHRFVDRTAPFHQP-UHFFFAOYSA-N 0 0 327.262 2.864 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC1([C@H]2CCCCO2)CC1 ZINC000919918524 729110235 /nfs/dbraw/zinc/11/02/35/729110235.db2.gz NXNMRTADYULTNG-GOSISDBHSA-N 0 0 341.455 2.964 10 10 EFCERN COC[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000919919205 729112336 /nfs/dbraw/zinc/11/23/36/729112336.db2.gz WTSFVUOPGKHDHW-QGZVFWFLSA-N 0 0 331.460 2.781 10 10 EFCERN CCc1ccc([C@H](COC)NC(=O)NCc2c(O)cccc2F)o1 ZINC000920339544 729175102 /nfs/dbraw/zinc/17/51/02/729175102.db2.gz JGAGMYSNAIAGJU-AWEZNQCLSA-N 0 0 336.363 2.874 10 10 EFCERN COc1ccc(O[C@H](C)CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000920702252 729221674 /nfs/dbraw/zinc/22/16/74/729221674.db2.gz JHHFGZRMQYLAIE-GFCCVEGCSA-N 0 0 348.374 2.807 10 10 EFCERN CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920880984 729239709 /nfs/dbraw/zinc/23/97/09/729239709.db2.gz KLOHCYSIDVUGDR-ZDUSSCGKSA-N 0 0 343.427 2.873 10 10 EFCERN O=S(=O)(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000921450547 729460352 /nfs/dbraw/zinc/46/03/52/729460352.db2.gz AOPHZUNZLXEOEV-WBMJQRKESA-N 0 0 339.363 2.646 10 10 EFCERN C[C@@H](O)C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921450045 729460420 /nfs/dbraw/zinc/46/04/20/729460420.db2.gz RAPBYYMCSZKWEI-HIFRSBDPSA-N 0 0 346.402 2.885 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCS(=O)(=O)C[C@H]2C)cc1 ZINC000179774944 729623565 /nfs/dbraw/zinc/62/35/65/729623565.db2.gz CBIILBASBVUGMN-MRXNPFEDSA-N 0 0 338.517 2.932 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000170880738 729713423 /nfs/dbraw/zinc/71/34/23/729713423.db2.gz JRDNMROETFVGQU-NHYWBVRUSA-N 0 0 328.368 2.895 10 10 EFCERN CC(=O)N(C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181147554 729788180 /nfs/dbraw/zinc/78/81/80/729788180.db2.gz HRHIUYNNAJHBRS-VQHVLOKHSA-N 0 0 326.352 2.732 10 10 EFCERN O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001348815249 1126182746 /nfs/dbraw/zinc/18/27/46/1126182746.db2.gz RBZZCXAWCBBMIX-KRWDZBQOSA-N 0 0 345.468 2.919 10 10 EFCERN Cc1cn2c(nc(C)c2CNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001569543177 1085358210 /nfs/dbraw/zinc/35/82/10/1085358210.db2.gz WXGHYXKACQMQLJ-GQCTYLIASA-N 0 0 343.408 2.753 10 10 EFCERN Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1C1CCOCC1 ZINC001569590088 1085412668 /nfs/dbraw/zinc/41/26/68/1085412668.db2.gz MTDJZEFIWHMQSL-HYXAFXHYSA-N 0 0 343.383 2.606 10 10 EFCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(F)c[nH]c1=O ZINC001570017360 1085865745 /nfs/dbraw/zinc/86/57/45/1085865745.db2.gz LEXMIMXBDUKLAJ-UHFFFAOYSA-N 0 0 349.325 2.888 10 10 EFCERN COC(=O)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC001570442348 1086240940 /nfs/dbraw/zinc/24/09/40/1086240940.db2.gz PVCSKTQYATXXOI-CLTKARDFSA-N 0 0 345.326 2.604 10 10 EFCERN COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1OC(F)F ZINC001570462213 1086257031 /nfs/dbraw/zinc/25/70/31/1086257031.db2.gz JIKPSDPNRNMCKD-UHFFFAOYSA-N 0 0 339.294 2.638 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nccc(C)n1 ZINC001570467242 1086260040 /nfs/dbraw/zinc/26/00/40/1086260040.db2.gz UEFLGYKWUJCQCD-UHFFFAOYSA-N 0 0 348.406 2.935 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(-c2cccnc2)on1 ZINC001570531880 1086317128 /nfs/dbraw/zinc/31/71/28/1086317128.db2.gz RPCYEWMUTYWBFT-UHFFFAOYSA-N 0 0 346.346 2.920 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc2c1OC(F)(F)O2 ZINC001646605630 1087914462 /nfs/dbraw/zinc/91/44/62/1087914462.db2.gz PXTHZHLTCFPAPI-FNORWQNLSA-N 0 0 349.289 2.749 10 10 EFCERN COc1nsc(OC)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647794552 1089879691 /nfs/dbraw/zinc/87/96/91/1089879691.db2.gz LUNYBUOIRDHQCY-UHFFFAOYSA-N 0 0 344.392 2.949 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc(N2CCCC2)nn1 ZINC001647791666 1089879728 /nfs/dbraw/zinc/87/97/28/1089879728.db2.gz TUPXLCQHZPTDQO-UHFFFAOYSA-N 0 0 348.406 2.866 10 10 EFCERN C[C@H]1CNc2c(C(=O)NCc3c(O)ccc4ccccc43)cnn2C1 ZINC001647791013 1089880298 /nfs/dbraw/zinc/88/02/98/1089880298.db2.gz GFICCNNXMPMSBY-LBPRGKRZSA-N 0 0 336.395 2.734 10 10 EFCERN COC(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001647791020 1089880464 /nfs/dbraw/zinc/88/04/64/1089880464.db2.gz GRXFQSLKEQWOMX-INIZCTEOSA-N 0 0 344.411 2.932 10 10 EFCERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001647827038 1089887892 /nfs/dbraw/zinc/88/78/92/1089887892.db2.gz UHYBKELNHCAHPH-UHFFFAOYSA-N 0 0 335.747 2.682 10 10 EFCERN CC(=O)Nc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001647830435 1089891131 /nfs/dbraw/zinc/89/11/31/1089891131.db2.gz WQXGEWBRRVDCDW-UHFFFAOYSA-N 0 0 332.787 2.863 10 10 EFCERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)c(N)c([N+](=O)[O-])c1 ZINC001647830282 1089891184 /nfs/dbraw/zinc/89/11/84/1089891184.db2.gz QGXPQYCANFMEJE-UHFFFAOYSA-N 0 0 335.747 2.774 10 10 EFCERN CN1C[C@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc2C1=O ZINC001647830295 1089892564 /nfs/dbraw/zinc/89/25/64/1089892564.db2.gz QQRCOOPJZHPLMP-AWEZNQCLSA-N 0 0 344.798 2.531 10 10 EFCERN COc1cc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)sn1 ZINC001647852250 1089897743 /nfs/dbraw/zinc/89/77/43/1089897743.db2.gz RECXEGBKXUDOML-UHFFFAOYSA-N 0 0 333.373 2.586 10 10 EFCERN CCOC(=O)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001583136778 1091907833 /nfs/dbraw/zinc/90/78/33/1091907833.db2.gz LOCURNJFLGQILD-UHFFFAOYSA-N 0 0 334.376 2.653 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC001583484133 1092014560 /nfs/dbraw/zinc/01/45/60/1092014560.db2.gz DQBJNXJIISRVTQ-INIZCTEOSA-N 0 0 343.379 2.837 10 10 EFCERN CN1C(=O)C[C@@H](C(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001583816543 1092071812 /nfs/dbraw/zinc/07/18/12/1092071812.db2.gz JNUPYEVYWINPRV-CQSZACIVSA-N 0 0 344.798 2.812 10 10 EFCERN O=C(CN1Cc2ccccc2OC1=O)NCc1cc(Cl)ccc1O ZINC001583820810 1092071882 /nfs/dbraw/zinc/07/18/82/1092071882.db2.gz MORWXWCRZCUBJF-UHFFFAOYSA-N 0 0 346.770 2.676 10 10 EFCERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001583816526 1092071991 /nfs/dbraw/zinc/07/19/91/1092071991.db2.gz JGTSADBZBNZYFG-QLJPJBMISA-N 0 0 333.771 2.890 10 10 EFCERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001583816523 1092072043 /nfs/dbraw/zinc/07/20/43/1092072043.db2.gz JGTSADBZBNZYFG-HWPZZCPQSA-N 0 0 333.771 2.890 10 10 EFCERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001583816525 1092072366 /nfs/dbraw/zinc/07/23/66/1092072366.db2.gz JGTSADBZBNZYFG-QFYYESIMSA-N 0 0 333.771 2.890 10 10 EFCERN CN1C(=O)C[C@H](C(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001583816542 1092072729 /nfs/dbraw/zinc/07/27/29/1092072729.db2.gz JNUPYEVYWINPRV-AWEZNQCLSA-N 0 0 344.798 2.812 10 10 EFCERN CC(C)CCC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584201803 1092126726 /nfs/dbraw/zinc/12/67/26/1092126726.db2.gz CFCLBGIJHUFDDA-LBPRGKRZSA-N 0 0 347.419 2.520 10 10 EFCERN Cn1c2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2oc1=O ZINC001584478635 1092182450 /nfs/dbraw/zinc/18/24/50/1092182450.db2.gz GKMUCPQVXCNRQH-UHFFFAOYSA-N 0 0 339.311 2.546 10 10 EFCERN O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc2cc(O)c(O)cc2s1 ZINC001648438680 1092217851 /nfs/dbraw/zinc/21/78/51/1092217851.db2.gz UDEZXBRTYHXRGE-UHFFFAOYSA-N 0 0 344.274 2.702 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001648606673 1092238293 /nfs/dbraw/zinc/23/82/93/1092238293.db2.gz VOGOXFFTXYCLFY-HNNXBMFYSA-N 0 0 348.761 2.994 10 10 EFCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(C(F)(F)F)n1 ZINC001648606172 1092238454 /nfs/dbraw/zinc/23/84/54/1092238454.db2.gz KAIOOXXFKUGCKU-UHFFFAOYSA-N 0 0 333.697 2.728 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001584869167 1092313044 /nfs/dbraw/zinc/31/30/44/1092313044.db2.gz LYQGDAQHAPHVHH-UHFFFAOYSA-N 0 0 337.379 2.592 10 10 EFCERN O=C(N[C@H](CO)c1cccc(Cl)c1Cl)c1cccc(O)c1O ZINC001585056894 1092359636 /nfs/dbraw/zinc/35/96/36/1092359636.db2.gz FBRKPDKWVATUHP-LLVKDONJSA-N 0 0 342.178 2.868 10 10 EFCERN CN=[S@@](C)(=O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001585777033 1092570459 /nfs/dbraw/zinc/57/04/59/1092570459.db2.gz SSEBURCLJJEJAF-DEOSSOPVSA-N 0 0 347.484 2.860 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1 ZINC001586040468 1092664537 /nfs/dbraw/zinc/66/45/37/1092664537.db2.gz NWAYOSXVRUZXBF-UHFFFAOYSA-N 0 0 337.339 2.986 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001586676820 1092751211 /nfs/dbraw/zinc/75/12/11/1092751211.db2.gz HGUWFAOAZYFNAC-UHFFFAOYSA-N 0 0 341.705 2.957 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001587078628 1092780829 /nfs/dbraw/zinc/78/08/29/1092780829.db2.gz CVDQLFWGPZYOFM-QGZVFWFLSA-N 0 0 335.363 2.609 10 10 EFCERN COc1ccccc1C[C@@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001587212675 1092792334 /nfs/dbraw/zinc/79/23/34/1092792334.db2.gz KFDQRXUHHWMTAQ-CYBMUJFWSA-N 0 0 329.396 2.739 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001587317390 1092800068 /nfs/dbraw/zinc/80/00/68/1092800068.db2.gz YBHRUXNNKMQWQU-UHFFFAOYSA-N 0 0 348.790 2.826 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC001587317215 1092800106 /nfs/dbraw/zinc/80/01/06/1092800106.db2.gz UVTSAASVHHFQLN-UHFFFAOYSA-N 0 0 335.407 2.836 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2nnc(-c3ccccc3)o2)cc1 ZINC001587317409 1092800439 /nfs/dbraw/zinc/80/04/39/1092800439.db2.gz YVKDVYHSHSSCCR-UHFFFAOYSA-N 0 0 336.395 2.662 10 10 EFCERN Cc1n[nH]c(C)c1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587547315 1092821063 /nfs/dbraw/zinc/82/10/63/1092821063.db2.gz HSMIGMBLECGENB-UHFFFAOYSA-N 0 0 326.444 2.828 10 10 EFCERN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1Cc2cccc(O)c2C1 ZINC001587929304 1092870110 /nfs/dbraw/zinc/87/01/10/1092870110.db2.gz XIPLFVHIABHJDJ-KRWDZBQOSA-N 0 0 326.327 2.567 10 10 EFCERN O=C([C@H]1CSC(c2ccccc2O)=N1)N1Cc2cccc(O)c2C1 ZINC001587928110 1092870260 /nfs/dbraw/zinc/87/02/60/1092870260.db2.gz JVOJSMFENHHVIF-CQSZACIVSA-N 0 0 340.404 2.502 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 ZINC001588205373 1092902699 /nfs/dbraw/zinc/90/26/99/1092902699.db2.gz IDFJXDKOSYUTEB-UHFFFAOYSA-N 0 0 340.339 2.550 10 10 EFCERN Cc1nc(N(C)Cc2ccc(N3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC001650084773 1092944668 /nfs/dbraw/zinc/94/46/68/1092944668.db2.gz AVGWABLBLDQECO-UHFFFAOYSA-N 0 0 327.388 2.930 10 10 EFCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCc1nnc[nH]1 ZINC001650854043 1093499466 /nfs/dbraw/zinc/49/94/66/1093499466.db2.gz UBTAHKMSJZRQBS-UHFFFAOYSA-N 0 0 337.339 2.599 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2ncccn2)c1 ZINC001650860552 1093501766 /nfs/dbraw/zinc/50/17/66/1093501766.db2.gz CXZCIOLQBAOIRE-UHFFFAOYSA-N 0 0 348.406 2.969 10 10 EFCERN CN(Cc1ccccc1O)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001650884251 1093504141 /nfs/dbraw/zinc/50/41/41/1093504141.db2.gz XLQOOLJXTNWQLL-UHFFFAOYSA-N 0 0 339.351 2.789 10 10 EFCERN COC(=O)c1cncc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001650919651 1093509615 /nfs/dbraw/zinc/50/96/15/1093509615.db2.gz OZINEBFKPMUALF-UHFFFAOYSA-N 0 0 339.351 2.769 10 10 EFCERN COC(=O)c1cnc(Sc2ncnc(-c3ccccc3)n2)s1 ZINC001651096248 1093527434 /nfs/dbraw/zinc/52/74/34/1093527434.db2.gz RZXUIMIZITZHPR-UHFFFAOYSA-N 0 0 330.394 2.933 10 10 EFCERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000827982516 1093531577 /nfs/dbraw/zinc/53/15/77/1093531577.db2.gz WYXZIJPKSJUJHD-GXTWGEPZSA-N 0 0 334.416 2.969 10 10 EFCERN O=C(COc1ccc(F)c(Cl)c1)NCc1cc(O)ccc1O ZINC001651223171 1093541054 /nfs/dbraw/zinc/54/10/54/1093541054.db2.gz YHVZAUHCBASLCB-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN CCOc1ccc(C[C@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225289 1093541893 /nfs/dbraw/zinc/54/18/93/1093541893.db2.gz DCVBIKYUSMLQSV-ZDUSSCGKSA-N 0 0 329.396 2.992 10 10 EFCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1cc(O)ccc1O ZINC001651225496 1093542114 /nfs/dbraw/zinc/54/21/14/1093542114.db2.gz MBJNDHDRJYRBQC-LBPRGKRZSA-N 0 0 337.379 2.536 10 10 EFCERN CC(C)(C)OC(=O)[C@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1 ZINC001651225332 1093542794 /nfs/dbraw/zinc/54/27/94/1093542794.db2.gz FYWDUWYMGCBXNQ-INIZCTEOSA-N 0 0 349.427 2.862 10 10 EFCERN COc1ccc(/C=C(/C)C(=O)NCc2cccc(O)c2O)cc1F ZINC001593739297 1094409804 /nfs/dbraw/zinc/40/98/04/1094409804.db2.gz JWFOBJZMJLOFTI-FLIBITNWSA-N 0 0 331.343 2.965 10 10 EFCERN O=C(COc1ccc(Cl)c(F)c1)NCc1cccc(O)c1O ZINC001593739361 1094410240 /nfs/dbraw/zinc/41/02/40/1094410240.db2.gz MAKGVLSJPFGBKY-UHFFFAOYSA-N 0 0 325.723 2.586 10 10 EFCERN Cc1ccc(-c2nc(C(=O)NCc3cc(O)ccc3O)cs2)n1C ZINC001593873286 1094412810 /nfs/dbraw/zinc/41/28/10/1094412810.db2.gz NONGJWYFILKPOE-UHFFFAOYSA-N 0 0 343.408 2.798 10 10 EFCERN O=C(NCc1cc(O)ccc1O)C1CC(OCc2ccccc2)C1 ZINC001593873635 1094414151 /nfs/dbraw/zinc/41/41/51/1094414151.db2.gz UPKZABVDGUVBMJ-UHFFFAOYSA-N 0 0 327.380 2.709 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1cnc2c(Cl)cccc2c1O ZINC001595595750 1094478660 /nfs/dbraw/zinc/47/86/60/1094478660.db2.gz KLJRMRQWBDHLLN-UHFFFAOYSA-N 0 0 344.754 2.523 10 10 EFCERN COc1cccc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1O ZINC001595799704 1094495223 /nfs/dbraw/zinc/49/52/23/1094495223.db2.gz FGVXFJMHZPFLOH-UHFFFAOYSA-N 0 0 330.340 2.856 10 10 EFCERN Cc1cnn(-c2cc(C(=O)NCc3ccccc3O)c(N)cc2F)c1 ZINC001595799753 1094495817 /nfs/dbraw/zinc/49/58/17/1094495817.db2.gz HAYCNMSUYSFNOY-UHFFFAOYSA-N 0 0 340.358 2.538 10 10 EFCERN CC(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001596068166 1094512551 /nfs/dbraw/zinc/51/25/51/1094512551.db2.gz MNCBHDHEKDUBBH-ZDUSSCGKSA-N 0 0 337.416 2.513 10 10 EFCERN CCC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001596192158 1094517977 /nfs/dbraw/zinc/51/79/77/1094517977.db2.gz UFRPSAGWOJRULH-UHFFFAOYSA-N 0 0 328.368 2.936 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCCOCc1ccc(Cl)cc1 ZINC001596206975 1094519006 /nfs/dbraw/zinc/51/90/06/1094519006.db2.gz YCIWLQXAPVUWLL-UHFFFAOYSA-N 0 0 335.787 2.627 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2nncn2-c2ccccc2)cc1 ZINC001596563992 1094537675 /nfs/dbraw/zinc/53/76/75/1094537675.db2.gz HBETWLVUSSUEHI-UHFFFAOYSA-N 0 0 335.327 2.682 10 10 EFCERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2c(O)cccc2F)c1F ZINC001596911952 1094551407 /nfs/dbraw/zinc/55/14/07/1094551407.db2.gz JKPIERYGNYLIOK-UHFFFAOYSA-N 0 0 340.257 2.956 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cncn1-c1ccc(F)cc1 ZINC001596906317 1094551862 /nfs/dbraw/zinc/55/18/62/1094551862.db2.gz CRPQPOWZVSVDFW-UHFFFAOYSA-N 0 0 329.306 2.786 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccnc1SC(F)F ZINC001597569734 1094600384 /nfs/dbraw/zinc/60/03/84/1094600384.db2.gz RMECMYUBXUYFSV-UHFFFAOYSA-N 0 0 326.324 2.738 10 10 EFCERN O=C(Cn1nnc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001597742294 1094619292 /nfs/dbraw/zinc/61/92/92/1094619292.db2.gz JHQPWHUYEUTVOX-UHFFFAOYSA-N 0 0 332.363 2.607 10 10 EFCERN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001597768369 1094621285 /nfs/dbraw/zinc/62/12/85/1094621285.db2.gz AHGXPXPHENUFON-BLVKFPJESA-N 0 0 345.395 2.541 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(C)cc1 ZINC000782618418 1095041051 /nfs/dbraw/zinc/04/10/51/1095041051.db2.gz BZAQLWMPCURFNJ-LAUBAEHRSA-N 0 0 338.451 2.899 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)cc1F ZINC000753742019 1096032441 /nfs/dbraw/zinc/03/24/41/1096032441.db2.gz LKDGFHDRFQDBSV-UHFFFAOYSA-N 0 0 346.324 2.825 10 10 EFCERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1-n1cncn1 ZINC001606861183 1097463691 /nfs/dbraw/zinc/46/36/91/1097463691.db2.gz XYOURRFMUVTIET-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001607770938 1097726735 /nfs/dbraw/zinc/72/67/35/1097726735.db2.gz KXNUEHWDNNXPTK-QWGHSUKYSA-N 0 0 326.396 2.942 10 10 EFCERN CN(C)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000005912792 1097999331 /nfs/dbraw/zinc/99/93/31/1097999331.db2.gz QKIANGPLAFIUMB-UHFFFAOYSA-N 0 0 338.816 2.789 10 10 EFCERN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781910383 1098697382 /nfs/dbraw/zinc/69/73/82/1098697382.db2.gz VQTWSHWTFOVXNB-HNNXBMFYSA-N 0 0 342.233 2.848 10 10 EFCERN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001611090730 1098979550 /nfs/dbraw/zinc/97/95/50/1098979550.db2.gz WIRFJJXXLKPNOZ-ABKXIKBNSA-N 0 0 337.322 2.882 10 10 EFCERN C[C@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(O)c1O ZINC001611667292 1099029564 /nfs/dbraw/zinc/02/95/64/1099029564.db2.gz WTUZKDQTNYDFHG-LLVKDONJSA-N 0 0 325.380 2.952 10 10 EFCERN C[C@H]1C[C@@H]1n1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001612708816 1099075322 /nfs/dbraw/zinc/07/53/22/1099075322.db2.gz XTNKUJMPDVKOHA-WFASDCNBSA-N 0 0 338.415 2.602 10 10 EFCERN CCn1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000013702716 1099127183 /nfs/dbraw/zinc/12/71/83/1099127183.db2.gz ZFSUREHNQXSXOQ-UHFFFAOYSA-N 0 0 345.358 2.931 10 10 EFCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CCCOC)cc1 ZINC001615376685 1099156933 /nfs/dbraw/zinc/15/69/33/1099156933.db2.gz XOHRWYXOGHQMKS-UHFFFAOYSA-N 0 0 345.491 2.954 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)C3=C[S@](=O)CCC3)cc2)CC1 ZINC001616695271 1099189227 /nfs/dbraw/zinc/18/92/27/1099189227.db2.gz OHGSVQXKIXLYHK-XMMPIXPASA-N 0 0 346.496 2.966 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001616892195 1099200988 /nfs/dbraw/zinc/20/09/88/1099200988.db2.gz OXPXAAKZAQDPTD-APWZRJJASA-N 0 0 332.444 2.680 10 10 EFCERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(O)c1 ZINC001617752760 1099257140 /nfs/dbraw/zinc/25/71/40/1099257140.db2.gz JPUIMOQAVHUPDD-UHFFFAOYSA-N 0 0 330.340 2.856 10 10 EFCERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1cccc(Cl)c1 ZINC001618578739 1099305452 /nfs/dbraw/zinc/30/54/52/1099305452.db2.gz RUCKMTNQYHUINY-NSHDSACASA-N 0 0 335.787 2.877 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)cc1 ZINC001623315396 1099574563 /nfs/dbraw/zinc/57/45/63/1099574563.db2.gz BCZCLBPLAVZQIF-INIZCTEOSA-N 0 0 341.386 2.634 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2csc(-c3ncc[nH]3)n2)cc1 ZINC001623387268 1099583397 /nfs/dbraw/zinc/58/33/97/1099583397.db2.gz VYLFCUIBOIGQRA-UHFFFAOYSA-N 0 0 341.440 2.871 10 10 EFCERN Cc1cc(C(F)F)n(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001623387112 1099583956 /nfs/dbraw/zinc/58/39/56/1099583956.db2.gz PYSROWDHKIKUAS-UHFFFAOYSA-N 0 0 336.386 2.854 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)CC(C)(C)C ZINC001623550128 1099600170 /nfs/dbraw/zinc/60/01/70/1099600170.db2.gz RELFWGHRNXGVKB-UHFFFAOYSA-N 0 0 345.487 2.798 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c2nc[nH]c2ccc1F ZINC001623574718 1099603521 /nfs/dbraw/zinc/60/35/21/1099603521.db2.gz YTGQAEDVAQDLEQ-UHFFFAOYSA-N 0 0 334.347 2.823 10 10 EFCERN CCCOc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001623632246 1099609769 /nfs/dbraw/zinc/60/97/69/1099609769.db2.gz KYGFTTYAFMAKHF-UHFFFAOYSA-N 0 0 345.395 2.754 10 10 EFCERN COc1ccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 ZINC001623851573 1099634278 /nfs/dbraw/zinc/63/42/78/1099634278.db2.gz IATTTYZIVXGASD-LJQANCHMSA-N 0 0 327.380 2.916 10 10 EFCERN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001623924556 1099640838 /nfs/dbraw/zinc/64/08/38/1099640838.db2.gz JGIHYBDBTIRRQF-VOJFVSQTSA-N 0 0 333.359 2.672 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)C1CC1 ZINC001623928079 1099640937 /nfs/dbraw/zinc/64/09/37/1099640937.db2.gz DNIQFKQXIBFSFR-NSHDSACASA-N 0 0 339.819 2.983 10 10 EFCERN COc1ccc(C[C@@H](C)CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001624349338 1099684657 /nfs/dbraw/zinc/68/46/57/1099684657.db2.gz SOGGPZLVNSICCM-CQSZACIVSA-N 0 0 343.423 2.986 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(Br)ccc1O ZINC001624555642 1099705820 /nfs/dbraw/zinc/70/58/20/1099705820.db2.gz HRIONYCTRMWPSW-UHFFFAOYSA-N 0 0 338.157 2.747 10 10 EFCERN COC(=O)CCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624630378 1099714044 /nfs/dbraw/zinc/71/40/44/1099714044.db2.gz NUZAGNSLUFKYBN-UHFFFAOYSA-N 0 0 332.444 2.979 10 10 EFCERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001624665513 1099717383 /nfs/dbraw/zinc/71/73/83/1099717383.db2.gz BFHKATCXMRHHQQ-NSHDSACASA-N 0 0 331.416 2.778 10 10 EFCERN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC001624704940 1099720360 /nfs/dbraw/zinc/72/03/60/1099720360.db2.gz CHSQXDHQFHSIJO-LLVKDONJSA-N 0 0 332.425 2.912 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001624954109 1099753483 /nfs/dbraw/zinc/75/34/83/1099753483.db2.gz DDKOZYLIMKLATI-CYBMUJFWSA-N 0 0 337.379 2.645 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=C[S@](=O)CCC1 ZINC001625241443 1099786743 /nfs/dbraw/zinc/78/67/43/1099786743.db2.gz ZUZZYPQTXHVKTR-HSZRJFAPSA-N 0 0 334.485 2.916 10 10 EFCERN CO[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC001625279253 1099789837 /nfs/dbraw/zinc/78/98/37/1099789837.db2.gz BMXQKGBASLBHGV-SNVBAGLBSA-N 0 0 332.282 2.546 10 10 EFCERN CC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001625357621 1099797603 /nfs/dbraw/zinc/79/76/03/1099797603.db2.gz NARNAFRTFWGKEB-UHFFFAOYSA-N 0 0 334.759 2.891 10 10 EFCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 ZINC001625668641 1099838234 /nfs/dbraw/zinc/83/82/34/1099838234.db2.gz OTOJWJSDTRMFSQ-DYZYQPBXSA-N 0 0 333.409 2.521 10 10 EFCERN O=C(CCc1ccon1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625657513 1099838472 /nfs/dbraw/zinc/83/84/72/1099838472.db2.gz RHUBIQNRVPGOJN-UHFFFAOYSA-N 0 0 333.351 2.956 10 10 EFCERN CCOC(=O)[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC001626723148 1099909708 /nfs/dbraw/zinc/90/97/08/1099909708.db2.gz VEOPNQBCLWBVCW-YJBOKZPZSA-N 0 0 348.487 2.944 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001626838312 1099924646 /nfs/dbraw/zinc/92/46/46/1099924646.db2.gz WIDCJFDMKBGSGY-UHFFFAOYSA-N 0 0 343.339 2.510 10 10 EFCERN CCOc1ccc2cc(C(=O)NCc3ccc(O)cc3O)[nH]c2c1 ZINC001626837946 1099924678 /nfs/dbraw/zinc/92/46/78/1099924678.db2.gz KWPPJMBXXGVMST-UHFFFAOYSA-N 0 0 326.352 2.908 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc([N+](=O)[O-])s1 ZINC001627068672 1099953589 /nfs/dbraw/zinc/95/35/89/1099953589.db2.gz CPNVBZVBNANXLF-UHFFFAOYSA-N 0 0 329.337 2.840 10 10 EFCERN CC(=O)c1ncc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001627073447 1099953712 /nfs/dbraw/zinc/95/37/12/1099953712.db2.gz NTTQWJSBTJRSPM-UHFFFAOYSA-N 0 0 327.365 2.530 10 10 EFCERN O=C(CCc1nnc(C(F)F)o1)NCc1ccc2cccnc2c1O ZINC001627072558 1099953913 /nfs/dbraw/zinc/95/39/13/1099953913.db2.gz AYJSMRJWKPUGAK-UHFFFAOYSA-N 0 0 348.309 2.510 10 10 EFCERN CC(=O)Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001627069999 1099954089 /nfs/dbraw/zinc/95/40/89/1099954089.db2.gz UXZSVEDJLFLJJE-UHFFFAOYSA-N 0 0 335.363 2.829 10 10 EFCERN O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc2cccnc2c1O ZINC001627070258 1099954199 /nfs/dbraw/zinc/95/41/99/1099954199.db2.gz YNMWAQJWFJZVBN-INIZCTEOSA-N 0 0 348.358 2.858 10 10 EFCERN COc1ccc(C[C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001627663678 1100020774 /nfs/dbraw/zinc/02/07/74/1100020774.db2.gz NKHILEFLQKREBD-ZDUSSCGKSA-N 0 0 329.396 2.739 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001627811420 1100034545 /nfs/dbraw/zinc/03/45/45/1100034545.db2.gz IXLIAINVYOQXAJ-OAHLLOKOSA-N 0 0 344.386 2.565 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2cc[nH]n2)c1 ZINC001627816323 1100035461 /nfs/dbraw/zinc/03/54/61/1100035461.db2.gz VSUDVZLNJJXJKY-UHFFFAOYSA-N 0 0 336.395 2.902 10 10 EFCERN COc1ccc2c(c1)CCCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001628178924 1100073200 /nfs/dbraw/zinc/07/32/00/1100073200.db2.gz JILVBTTZQQSQCR-UHFFFAOYSA-N 0 0 327.380 2.624 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@](C)(O)c1ccccc1 ZINC001628346223 1100090924 /nfs/dbraw/zinc/09/09/24/1100090924.db2.gz VKGHTLWCFNNSKC-KPZWWZAWSA-N 0 0 340.383 2.875 10 10 EFCERN COc1ccccc1CC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001628519626 1100109804 /nfs/dbraw/zinc/10/98/04/1100109804.db2.gz ITJPODLWPXLOIH-UHFFFAOYSA-N 0 0 329.396 2.786 10 10 EFCERN C[S@@](=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001628525018 1100110994 /nfs/dbraw/zinc/11/09/94/1100110994.db2.gz UGBXIMSSLQRUJS-HSZRJFAPSA-N 0 0 330.369 2.839 10 10 EFCERN CCNC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001628712735 1100126251 /nfs/dbraw/zinc/12/62/51/1100126251.db2.gz DXQSSFOOIMESAD-UHFFFAOYSA-N 0 0 339.355 2.851 10 10 EFCERN Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001628803849 1100137097 /nfs/dbraw/zinc/13/70/97/1100137097.db2.gz WGPHVJYWJSXHNC-MRXNPFEDSA-N 0 0 340.423 2.734 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=C[S@@](=O)CCC1 ZINC001628954077 1100151346 /nfs/dbraw/zinc/15/13/46/1100151346.db2.gz AYTKIIIQDNQKDZ-QHCPKHFHSA-N 0 0 332.469 2.672 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001628954065 1100152018 /nfs/dbraw/zinc/15/20/18/1100152018.db2.gz AQIKEOVBFXBHIC-INIZCTEOSA-N 0 0 338.455 2.773 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001628954704 1100153607 /nfs/dbraw/zinc/15/36/07/1100153607.db2.gz PVFAZPGCJPNKTL-MRXNPFEDSA-N 0 0 338.455 2.773 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1cncc(O)c1 ZINC001628954750 1100153642 /nfs/dbraw/zinc/15/36/42/1100153642.db2.gz QAMXAVWHXKMHMJ-UHFFFAOYSA-N 0 0 325.412 2.589 10 10 EFCERN Cc1ccc(C(=O)N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)c(O)c1O ZINC001629468720 1100213078 /nfs/dbraw/zinc/21/30/78/1100213078.db2.gz ABUGDGFNIOZDAM-CQSZACIVSA-N 0 0 341.342 2.788 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C2CCC2)nn1 ZINC000843777016 1100231840 /nfs/dbraw/zinc/23/18/40/1100231840.db2.gz YVVITHRYONZKFS-UHFFFAOYSA-N 0 0 327.432 2.731 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1 ZINC001629768757 1100244242 /nfs/dbraw/zinc/24/42/42/1100244242.db2.gz DGZJJRUBRQFLFO-UHFFFAOYSA-N 0 0 327.344 2.857 10 10 EFCERN CNc1cnc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC001629943567 1100261151 /nfs/dbraw/zinc/26/11/51/1100261151.db2.gz GOAVLBZOEUJKDB-UHFFFAOYSA-N 0 0 338.367 2.660 10 10 EFCERN O=C(c1cnc2cccnn21)N(Cc1ccco1)Cc1ccccc1O ZINC001629943798 1100262617 /nfs/dbraw/zinc/26/26/17/1100262617.db2.gz POBHWAZYZCCCMJ-UHFFFAOYSA-N 0 0 348.362 2.871 10 10 EFCERN Cc1ccc([C@H](O)CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC001630019473 1100269610 /nfs/dbraw/zinc/26/96/10/1100269610.db2.gz VIMDLHSDLFSEMF-GFCCVEGCSA-N 0 0 333.365 2.677 10 10 EFCERN COC(=O)Nc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC001630115044 1100276388 /nfs/dbraw/zinc/27/63/88/1100276388.db2.gz FDVLBGAXORBFOA-WEVVVXLNSA-N 0 0 342.351 2.606 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=C[S@](=O)CCC1 ZINC001630181065 1100283323 /nfs/dbraw/zinc/28/33/23/1100283323.db2.gz SLVBUIZFFMUMEI-LFVRLGFBSA-N 0 0 334.485 2.535 10 10 EFCERN C/C=C/COc1cccc(CC(=O)NCc2ccc(O)cc2O)c1 ZINC001630301846 1100291240 /nfs/dbraw/zinc/29/12/40/1100291240.db2.gz JUGBEBZNJIWPEA-NSCUHMNNSA-N 0 0 327.380 2.912 10 10 EFCERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)cc1O ZINC001630301997 1100292373 /nfs/dbraw/zinc/29/23/73/1100292373.db2.gz PBFGAGGZNZJLSP-CYBMUJFWSA-N 0 0 344.367 2.891 10 10 EFCERN CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(O)cc3O)c21 ZINC001630306465 1100292409 /nfs/dbraw/zinc/29/24/09/1100292409.db2.gz CZJQXVKODKCXAY-UHFFFAOYSA-N 0 0 340.379 2.837 10 10 EFCERN CSc1ccc(O[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001630302084 1100292415 /nfs/dbraw/zinc/29/24/15/1100292415.db2.gz QORVSYAPYMLCAH-LLVKDONJSA-N 0 0 333.409 2.903 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1csc(Br)c1 ZINC001630302280 1100292567 /nfs/dbraw/zinc/29/25/67/1100292567.db2.gz WGPQUCQIWRWSDD-UHFFFAOYSA-N 0 0 328.187 2.852 10 10 EFCERN O=C(NCc1ccccc1O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001630363289 1100298336 /nfs/dbraw/zinc/29/83/36/1100298336.db2.gz MLFDKNCRKKKBJT-OAHLLOKOSA-N 0 0 348.761 2.994 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncnc3sccc32)c1 ZINC001630366423 1100298570 /nfs/dbraw/zinc/29/85/70/1100298570.db2.gz PMXFGJQEBQYDPI-VIFPVBQESA-N 0 0 329.381 2.897 10 10 EFCERN CNC(=O)Nc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC001630372489 1100300441 /nfs/dbraw/zinc/30/04/41/1100300441.db2.gz JISYVPRCXYLTLB-LLVKDONJSA-N 0 0 343.383 2.643 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2cnccc2n1 ZINC001630532104 1100315177 /nfs/dbraw/zinc/31/51/77/1100315177.db2.gz HEXQBBAHGDCQIU-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3ccccn3)CC2)cc1 ZINC001630714002 1100332992 /nfs/dbraw/zinc/33/29/92/1100332992.db2.gz XBJPXPRUJGMQCA-INIZCTEOSA-N 0 0 339.439 2.933 10 10 EFCERN COCCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001630833236 1100344243 /nfs/dbraw/zinc/34/42/43/1100344243.db2.gz LVYTZKFCKMEZPQ-UHFFFAOYSA-N 0 0 331.368 2.694 10 10 EFCERN COc1ccc(C[C@@H]2CCN2C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001630861496 1100347351 /nfs/dbraw/zinc/34/73/51/1100347351.db2.gz KBJLFITUUOOTQE-RDTXFTJFSA-N 0 0 339.391 2.963 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCSC[C@H]2CO)cc1 ZINC001630878021 1100348715 /nfs/dbraw/zinc/34/87/15/1100348715.db2.gz KWLMFBNOFSLZTK-QGZVFWFLSA-N 0 0 330.453 2.644 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cc(F)ccc3N)CC2)cc1 ZINC001630992101 1100358683 /nfs/dbraw/zinc/35/86/83/1100358683.db2.gz GRDGFQLPHLVXFU-UHFFFAOYSA-N 0 0 343.402 2.769 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C(=O)C(C)(C)CC)CC2)cc1 ZINC001630992806 1100359438 /nfs/dbraw/zinc/35/94/38/1100359438.db2.gz XHFPMBZNWGFXPP-UHFFFAOYSA-N 0 0 332.444 2.739 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(OC)ccnc1OC ZINC001631266198 1100383410 /nfs/dbraw/zinc/38/34/10/1100383410.db2.gz XONPZWCUPOIFTO-UHFFFAOYSA-N 0 0 343.427 2.827 10 10 EFCERN Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631380085 1100392900 /nfs/dbraw/zinc/39/29/00/1100392900.db2.gz GKWBYASPYKFLPO-UHFFFAOYSA-N 0 0 325.328 2.509 10 10 EFCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cncn1 ZINC001631531700 1100407310 /nfs/dbraw/zinc/40/73/10/1100407310.db2.gz ZJVBYPLLDMVLPT-HNNXBMFYSA-N 0 0 336.395 2.774 10 10 EFCERN COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC001631541837 1100408843 /nfs/dbraw/zinc/40/88/43/1100408843.db2.gz BAAAGBLMJMKTQW-OALRPVAKSA-N 0 0 345.351 2.671 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC001631894899 1100437835 /nfs/dbraw/zinc/43/78/35/1100437835.db2.gz DMWHPRDKSKDSJV-PKOBYXMFSA-N 0 0 327.380 2.677 10 10 EFCERN CCN(CCCO)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001632018524 1100447318 /nfs/dbraw/zinc/44/73/18/1100447318.db2.gz BAXTVZJFJJZXKY-UHFFFAOYSA-N 0 0 344.455 2.760 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccccn3)CC2)cc1 ZINC001632045094 1100449186 /nfs/dbraw/zinc/44/91/86/1100449186.db2.gz WPMWGRSULKRULT-HNNXBMFYSA-N 0 0 339.439 2.979 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)c3cccc(F)c3N)CC2)cc1 ZINC001632157831 1100456406 /nfs/dbraw/zinc/45/64/06/1100456406.db2.gz DZWQLLNYZJNUDW-UHFFFAOYSA-N 0 0 343.402 2.769 10 10 EFCERN C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1O ZINC001632246226 1100461446 /nfs/dbraw/zinc/46/14/46/1100461446.db2.gz DQCQYFZVAMDUOG-YGRLFVJLSA-N 0 0 328.343 2.835 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnc3c(c2)COCC3)cc1 ZINC001632794088 1100501124 /nfs/dbraw/zinc/50/11/24/1100501124.db2.gz LVGICLHUQOUERA-UHFFFAOYSA-N 0 0 325.328 2.569 10 10 EFCERN CCn1cc(Cl)c(C(=O)NCCCSc2nccs2)n1 ZINC001632807299 1100501752 /nfs/dbraw/zinc/50/17/52/1100501752.db2.gz SVLNWKXKUYCWIR-UHFFFAOYSA-N 0 0 330.866 2.925 10 10 EFCERN C[C@@H](NC(=O)c1ccc2c(N)ncnc2c1)c1ccc(N(C)C)cc1 ZINC001633315417 1100535891 /nfs/dbraw/zinc/53/58/91/1100535891.db2.gz OSZCXEJVGHSBGO-GFCCVEGCSA-N 0 0 335.411 2.769 10 10 EFCERN COCc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)o1 ZINC001633492734 1100545528 /nfs/dbraw/zinc/54/55/28/1100545528.db2.gz NVLAMYLCPHKMEG-AWEZNQCLSA-N 0 0 331.368 2.743 10 10 EFCERN Cc1nc(-c2c[nH]c(C(=O)NCc3cccc(O)c3O)c2)cs1 ZINC001633509356 1100546138 /nfs/dbraw/zinc/54/61/38/1100546138.db2.gz UWJDDRRAOHCOMD-UHFFFAOYSA-N 0 0 329.381 2.788 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@@H]1CCOC1 ZINC001633536134 1100548263 /nfs/dbraw/zinc/54/82/63/1100548263.db2.gz MHHXVQNNGQXEHQ-QGZVFWFLSA-N 0 0 331.460 2.855 10 10 EFCERN COc1ccc2[nH]c([C@H](C)NC(=O)c3ccc(C)c(O)c3O)nc2c1 ZINC001633537041 1100548852 /nfs/dbraw/zinc/54/88/52/1100548852.db2.gz IARSBSOSBDVRCK-JTQLQIEISA-N 0 0 341.367 2.782 10 10 EFCERN CN(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC001633598934 1100552522 /nfs/dbraw/zinc/55/25/22/1100552522.db2.gz IJULQRDRGVZBGO-INIZCTEOSA-N 0 0 334.803 2.670 10 10 EFCERN COc1ccc(COCCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001633598842 1100552633 /nfs/dbraw/zinc/55/26/33/1100552633.db2.gz DLOXIJZIUVQEJS-UHFFFAOYSA-N 0 0 345.395 2.720 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cc(Br)ccc1F ZINC001633595128 1100552941 /nfs/dbraw/zinc/55/29/41/1100552941.db2.gz JEHNIGHRFUSXCM-UHFFFAOYSA-N 0 0 340.148 2.929 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001633595171 1100553054 /nfs/dbraw/zinc/55/30/54/1100553054.db2.gz KVJJDAWGHBALOI-UHFFFAOYSA-N 0 0 341.392 2.502 10 10 EFCERN Cc1ccc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)nn1 ZINC001633599400 1100553710 /nfs/dbraw/zinc/55/37/10/1100553710.db2.gz ZVBAOAPCYWUOED-UHFFFAOYSA-N 0 0 335.363 2.793 10 10 EFCERN CC(C)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)C ZINC001633625264 1100554554 /nfs/dbraw/zinc/55/45/54/1100554554.db2.gz IBIKOYMXNDPUNO-AWEZNQCLSA-N 0 0 348.403 2.945 10 10 EFCERN COc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1O ZINC001633797148 1100566232 /nfs/dbraw/zinc/56/62/32/1100566232.db2.gz FZPAJCPYYJQFOL-UHFFFAOYSA-N 0 0 342.355 2.536 10 10 EFCERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(Cl)c1O ZINC001633881889 1100571919 /nfs/dbraw/zinc/57/19/19/1100571919.db2.gz IJRMMANHXCDIMC-UHFFFAOYSA-N 0 0 349.774 2.996 10 10 EFCERN COc1ccc(CNC(=O)c2cnn3cccc(Cl)c23)c(O)c1 ZINC001633926400 1100574629 /nfs/dbraw/zinc/57/46/29/1100574629.db2.gz CVGQMHXRYTVWAO-UHFFFAOYSA-N 0 0 331.759 2.632 10 10 EFCERN COCCCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001634209208 1100591075 /nfs/dbraw/zinc/59/10/75/1100591075.db2.gz QVZLUNAGCFRKLH-UHFFFAOYSA-N 0 0 348.403 2.507 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2nncs2)cc1 ZINC001634410888 1100606421 /nfs/dbraw/zinc/60/64/21/1100606421.db2.gz CJPLSEZQIZLZAT-UHFFFAOYSA-N 0 0 327.365 2.798 10 10 EFCERN COCCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001634689832 1100623882 /nfs/dbraw/zinc/62/38/82/1100623882.db2.gz NXZRLXBGTLHAPD-QGZVFWFLSA-N 0 0 343.423 2.794 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCc1cccnc1 ZINC001634939143 1100636318 /nfs/dbraw/zinc/63/63/18/1100636318.db2.gz KIYHQJUDDZEJIT-UHFFFAOYSA-N 0 0 337.441 2.823 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001634943779 1100637563 /nfs/dbraw/zinc/63/75/63/1100637563.db2.gz DWMGRAVICOLADW-UHFFFAOYSA-N 0 0 333.340 2.655 10 10 EFCERN Cc1cc(=O)n(C)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001634960003 1100638087 /nfs/dbraw/zinc/63/80/87/1100638087.db2.gz OCPQGDUASYCXTF-UHFFFAOYSA-N 0 0 330.365 2.572 10 10 EFCERN COc1ccc(CNC(=O)Cc2c[nH]c3cnc(Cl)cc23)c(O)c1 ZINC001635041649 1100641068 /nfs/dbraw/zinc/64/10/68/1100641068.db2.gz AIPHUXWXMNXEDA-UHFFFAOYSA-N 0 0 345.786 2.789 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c1 ZINC001635236297 1100650393 /nfs/dbraw/zinc/65/03/93/1100650393.db2.gz PKPNYHJJUAAMJQ-YOEHRIQHSA-N 0 0 340.423 2.750 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1cncc(Br)c1 ZINC001635360323 1100656375 /nfs/dbraw/zinc/65/63/75/1100656375.db2.gz JLNFFTFGPRSCRS-UHFFFAOYSA-N 0 0 325.137 2.619 10 10 EFCERN CC1(C)CCC[C@@](O)(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001635546301 1100667255 /nfs/dbraw/zinc/66/72/55/1100667255.db2.gz AMTORJMPFLOFAR-XZXOBPBMSA-N 0 0 333.428 2.949 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1 ZINC001635621708 1100670619 /nfs/dbraw/zinc/67/06/19/1100670619.db2.gz XZGLYCWNEAAEKM-LLVKDONJSA-N 0 0 342.359 2.718 10 10 EFCERN CN(Cc1ccccc1O)C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 ZINC001635657872 1100672841 /nfs/dbraw/zinc/67/28/41/1100672841.db2.gz DMOAUZQPCLHRCP-CQSZACIVSA-N 0 0 328.343 2.616 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)c1ccccc1O ZINC001635794119 1100679896 /nfs/dbraw/zinc/67/98/96/1100679896.db2.gz WYSOAXIVXBLTTQ-LVDPKSTMSA-N 0 0 344.455 2.997 10 10 EFCERN COc1ccc(C(=O)NCc2c(O)cccc2O)c(OC(C)C)c1 ZINC001635846843 1100683850 /nfs/dbraw/zinc/68/38/50/1100683850.db2.gz CEPQZWPIXHQCOI-UHFFFAOYSA-N 0 0 331.368 2.824 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2-c2ccco2)c1 ZINC001636061229 1100697165 /nfs/dbraw/zinc/69/71/65/1100697165.db2.gz KCINVKDFVHKDBK-JTQLQIEISA-N 0 0 327.340 2.875 10 10 EFCERN CCc1csc(-n2cc(C(=O)N3Cc4cccc(O)c4C3)cn2)n1 ZINC001636231278 1100708344 /nfs/dbraw/zinc/70/83/44/1100708344.db2.gz YVYXYMFASFCQLK-UHFFFAOYSA-N 0 0 340.408 2.753 10 10 EFCERN Cn1nccc1C1=CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001636306232 1100712651 /nfs/dbraw/zinc/71/26/51/1100712651.db2.gz PIQAXTXDGPXIFO-UHFFFAOYSA-N 0 0 338.371 2.512 10 10 EFCERN Cc1noc(C(C)(C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001636422402 1100718121 /nfs/dbraw/zinc/71/81/21/1100718121.db2.gz LUKDIJYFIJFAAB-UHFFFAOYSA-N 0 0 333.369 2.669 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001636678022 1100732805 /nfs/dbraw/zinc/73/28/05/1100732805.db2.gz ZTBGUJJTDNBLDW-KMDWOBIYSA-N 0 0 349.390 2.865 10 10 EFCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)Cc1ccccc1 ZINC001636698068 1100733539 /nfs/dbraw/zinc/73/35/39/1100733539.db2.gz JFWDGQAFWUWQEH-LBPRGKRZSA-N 0 0 338.367 2.779 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ncc(C2CCOCC2)s1 ZINC001636906249 1100744269 /nfs/dbraw/zinc/74/42/69/1100744269.db2.gz ZMQANFBBLQZCMF-UHFFFAOYSA-N 0 0 334.397 2.630 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC001637122817 1100758535 /nfs/dbraw/zinc/75/85/35/1100758535.db2.gz PXQPDIUHYOOHEV-UHFFFAOYSA-N 0 0 336.347 2.795 10 10 EFCERN CC(=O)c1c(C)[nH]c(C(=O)NCc2cc(O)ccc2O)c1C(C)C ZINC001637125980 1100758819 /nfs/dbraw/zinc/75/88/19/1100758819.db2.gz JQVLPCJNBNKWTN-UHFFFAOYSA-N 0 0 330.384 2.990 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1ccn(CC(F)(F)F)n1 ZINC001637232045 1100765841 /nfs/dbraw/zinc/76/58/41/1100765841.db2.gz HGTPFWXWKNHUIO-UHFFFAOYSA-N 0 0 333.697 2.734 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cn(Cc2ccccc2)nn1 ZINC001637227190 1100766322 /nfs/dbraw/zinc/76/63/22/1100766322.db2.gz QPVYFELUIBFVQK-UHFFFAOYSA-N 0 0 342.786 2.615 10 10 EFCERN CCn1c(NC(=O)c2ccc(N=NC(N)=O)cc2)nc2cccnc21 ZINC001637307206 1100771289 /nfs/dbraw/zinc/77/12/89/1100771289.db2.gz NDZNPMZRMNJIJH-UHFFFAOYSA-N 0 0 337.343 2.866 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001637551013 1100789541 /nfs/dbraw/zinc/78/95/41/1100789541.db2.gz AOQHDRUWLKLDRJ-SFHVURJKSA-N 0 0 327.380 2.631 10 10 EFCERN C/C(=C/C(=O)N1CCCc2c3ncn(C)c3ccc21)c1cnccn1 ZINC001637637581 1100795389 /nfs/dbraw/zinc/79/53/89/1100795389.db2.gz QCUOOKRCIYMYLP-RAXLEYEMSA-N 0 0 333.395 2.746 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)co1 ZINC001638348526 1100850197 /nfs/dbraw/zinc/85/01/97/1100850197.db2.gz TWCUVMZXFOARJO-MRVPVSSYSA-N 0 0 340.173 2.814 10 10 EFCERN O=C(NC[C@@H](O)c1cc2ccccc2s1)c1c(F)ccc(O)c1O ZINC001638459642 1100860886 /nfs/dbraw/zinc/86/08/86/1100860886.db2.gz QPGASBXPHKMLJM-GFCCVEGCSA-N 0 0 347.367 2.915 10 10 EFCERN O=C(NC[C@H](O)c1cc2ccccc2s1)c1c(F)ccc(O)c1O ZINC001638459643 1100860943 /nfs/dbraw/zinc/86/09/43/1100860943.db2.gz QPGASBXPHKMLJM-LBPRGKRZSA-N 0 0 347.367 2.915 10 10 EFCERN C[Si](C)(C)c1ccc(CC(=O)NCc2c(O)cccc2F)cc1 ZINC001638862901 1100892117 /nfs/dbraw/zinc/89/21/17/1100892117.db2.gz IBKYAOLLHGBXNM-UHFFFAOYSA-N 0 0 331.463 2.935 10 10 EFCERN CC(=O)Nc1cnccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001638957614 1100901573 /nfs/dbraw/zinc/90/15/73/1100901573.db2.gz SKTKKQXZMNHQJA-GFCCVEGCSA-N 0 0 326.400 2.597 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC001639124323 1100915093 /nfs/dbraw/zinc/91/50/93/1100915093.db2.gz ZJBZUKFCTSCGGZ-GFCCVEGCSA-N 0 0 328.332 2.676 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001639288978 1100933640 /nfs/dbraw/zinc/93/36/40/1100933640.db2.gz DNDNVHRGTLSQKB-OAHLLOKOSA-N 0 0 343.379 2.586 10 10 EFCERN COc1ccc(-c2ocnc2C(=O)NCc2c(O)cccc2O)cc1 ZINC001639292979 1100934992 /nfs/dbraw/zinc/93/49/92/1100934992.db2.gz YLTJBTKTNYSDSR-UHFFFAOYSA-N 0 0 340.335 2.691 10 10 EFCERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001639292514 1100934996 /nfs/dbraw/zinc/93/49/96/1100934996.db2.gz GJCDDMYOTORLEH-NXEZZACHSA-N 0 0 337.297 2.935 10 10 EFCERN O=C(NCc1nc2c([nH]1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001639300709 1100936392 /nfs/dbraw/zinc/93/63/92/1100936392.db2.gz YRWMWKWFDNQSOI-UHFFFAOYSA-N 0 0 343.408 2.844 10 10 EFCERN O=C(NCc1c(O)ccc2ccccc21)c1nnc2ccccc2n1 ZINC001639387415 1100942746 /nfs/dbraw/zinc/94/27/46/1100942746.db2.gz KDVHPCBASKLXST-UHFFFAOYSA-N 0 0 330.347 2.814 10 10 EFCERN Nc1c(Cl)ccc(C(=O)NCc2ccc(O)cc2O)c1Cl ZINC001639444578 1100949515 /nfs/dbraw/zinc/94/95/15/1100949515.db2.gz QHDZGHZOCCMOFE-UHFFFAOYSA-N 0 0 327.167 2.917 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001639444535 1100949800 /nfs/dbraw/zinc/94/98/00/1100949800.db2.gz OUMULMLFBBCILE-CQSZACIVSA-N 0 0 342.178 2.754 10 10 EFCERN CN1CCc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001639621853 1100967255 /nfs/dbraw/zinc/96/72/55/1100967255.db2.gz WNLJKNNISGXOFB-UHFFFAOYSA-N 0 0 333.391 2.863 10 10 EFCERN O=C(COc1cc(F)cc(F)c1)NCc1ccc2cccnc2c1O ZINC001639624853 1100967419 /nfs/dbraw/zinc/96/74/19/1100967419.db2.gz MYAOVSNNWLWLCA-UHFFFAOYSA-N 0 0 344.317 2.914 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(OC(F)F)nc1 ZINC001639624985 1100967503 /nfs/dbraw/zinc/96/75/03/1100967503.db2.gz SJBZVDIQNWABMW-UHFFFAOYSA-N 0 0 345.305 2.867 10 10 EFCERN COc1cccc(F)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001639628217 1100969111 /nfs/dbraw/zinc/96/91/11/1100969111.db2.gz AOJFFJXLCLJMNN-UHFFFAOYSA-N 0 0 330.319 2.927 10 10 EFCERN Cc1cc(C(=O)NCC(=O)c2cncs2)c(C)n1-c1ccccn1 ZINC001639754793 1100981438 /nfs/dbraw/zinc/98/14/38/1100981438.db2.gz VSQYZXUYSVUPAS-UHFFFAOYSA-N 0 0 340.408 2.558 10 10 EFCERN CC(C)(O)CONc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001639867963 1100990920 /nfs/dbraw/zinc/99/09/20/1100990920.db2.gz IRXLLJOUKRUAAS-UHFFFAOYSA-N 0 0 330.340 2.940 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000840300617 1100991630 /nfs/dbraw/zinc/99/16/30/1100991630.db2.gz GKDSKZROAKYRKG-SFHVURJKSA-N 0 0 331.460 2.772 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000840360888 1101023022 /nfs/dbraw/zinc/02/30/22/1101023022.db2.gz WHEATUMDCRFGQK-JKNJVXJCSA-N 0 0 346.383 2.786 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(=O)Nc2ccccc21 ZINC001640402328 1101043612 /nfs/dbraw/zinc/04/36/12/1101043612.db2.gz QAFWIPKOIRKZKF-LBPRGKRZSA-N 0 0 330.771 2.788 10 10 EFCERN CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc21 ZINC001640401885 1101043646 /nfs/dbraw/zinc/04/36/46/1101043646.db2.gz FXISRMIGYZLAIH-ZDUSSCGKSA-N 0 0 344.798 2.812 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCn2ccnc21 ZINC000840382550 1101051499 /nfs/dbraw/zinc/05/14/99/1101051499.db2.gz RNHZCWPOYTZLFC-YOEHRIQHSA-N 0 0 341.459 2.633 10 10 EFCERN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1-c1ccccn1 ZINC001640920021 1101087957 /nfs/dbraw/zinc/08/79/57/1101087957.db2.gz IQUCOXMVIGZKPC-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cc(Cl)ccc1O ZINC001640920467 1101088271 /nfs/dbraw/zinc/08/82/71/1101088271.db2.gz RGKCPWYMUVXJMQ-UHFFFAOYSA-N 0 0 346.774 2.673 10 10 EFCERN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640924761 1101088840 /nfs/dbraw/zinc/08/88/40/1101088840.db2.gz ULYBURJKWAUMKG-UHFFFAOYSA-N 0 0 346.770 2.806 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(n1)CCCN2 ZINC001641147151 1101107735 /nfs/dbraw/zinc/10/77/35/1101107735.db2.gz ZEFMQYYMIXZVCN-UHFFFAOYSA-N 0 0 336.439 2.970 10 10 EFCERN COc1ncc(Br)cc1CNC(=O)C1=CC(=O)CS1 ZINC001641598507 1101149534 /nfs/dbraw/zinc/14/95/34/1101149534.db2.gz CWOJVOIEYPUTQK-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN O=C(NC[C@@H]1CSc2ccccc2O1)c1c(F)ccc(O)c1O ZINC001641668563 1101155852 /nfs/dbraw/zinc/15/58/52/1101155852.db2.gz IMHVCCZIIYZTKS-SECBINFHSA-N 0 0 335.356 2.520 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)c1nc(N)nc(Cl)c1N ZINC001642021448 1101182868 /nfs/dbraw/zinc/18/28/68/1101182868.db2.gz HSUAVBNDUNGXFD-UHFFFAOYSA-N 0 0 332.839 2.531 10 10 EFCERN CNC(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001642699318 1101233409 /nfs/dbraw/zinc/23/34/09/1101233409.db2.gz DZPCFLQYMFEJDK-GFCCVEGCSA-N 0 0 341.367 2.762 10 10 EFCERN Oc1c(CNc2cc(C(F)F)nc3ncnn32)ccc2cccnc21 ZINC001642823657 1101244665 /nfs/dbraw/zinc/24/46/65/1101244665.db2.gz NJSWJDONAUTGCW-UHFFFAOYSA-N 0 0 342.309 2.928 10 10 EFCERN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001642824281 1101245353 /nfs/dbraw/zinc/24/53/53/1101245353.db2.gz OJDFAQSULCNLNH-SECBINFHSA-N 0 0 326.312 2.668 10 10 EFCERN O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)c1cccc(F)c1Cl ZINC001643148894 1101275924 /nfs/dbraw/zinc/27/59/24/1101275924.db2.gz GLBDKEFXORSAJY-FNORWQNLSA-N 0 0 349.745 2.903 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)CCOC2 ZINC001643285392 1101287484 /nfs/dbraw/zinc/28/74/84/1101287484.db2.gz YPHFYHNVQIWKEY-UHFFFAOYSA-N 0 0 334.375 2.943 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001643283454 1101287709 /nfs/dbraw/zinc/28/77/09/1101287709.db2.gz XBCAQFUKRSMHGZ-UHFFFAOYSA-N 0 0 336.347 2.657 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(O)c3F)C2)cc1 ZINC001643347442 1101291580 /nfs/dbraw/zinc/29/15/80/1101291580.db2.gz ZPZGWPXFTNKHNX-ZDUSSCGKSA-N 0 0 344.386 2.796 10 10 EFCERN O=S(=O)(c1ccc(NCc2c(O)cccc2O)cc1)C(F)F ZINC001651449071 1101330033 /nfs/dbraw/zinc/33/00/33/1101330033.db2.gz DBNCLLASFUCNMO-UHFFFAOYSA-N 0 0 329.324 2.706 10 10 EFCERN O=C1CCc2cc([N+](=O)[O-])c(NCc3c(O)cccc3O)cc2N1 ZINC001652267730 1101465348 /nfs/dbraw/zinc/46/53/48/1101465348.db2.gz UMHYNNCSAQYCKP-UHFFFAOYSA-N 0 0 329.312 2.503 10 10 EFCERN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(O)cccc1O ZINC001652626133 1101521292 /nfs/dbraw/zinc/52/12/92/1101521292.db2.gz QHMOCLMTZUVNOW-UHFFFAOYSA-N 0 0 341.342 2.661 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc(-c2cncnc2)cc1F ZINC001652625957 1101521865 /nfs/dbraw/zinc/52/18/65/1101521865.db2.gz PFNIORGGAJNJAI-UHFFFAOYSA-N 0 0 339.326 2.624 10 10 EFCERN COc1ccc(/C=C(\C)C(=O)NCc2c(O)cccc2O)cc1F ZINC001652626513 1101523536 /nfs/dbraw/zinc/52/35/36/1101523536.db2.gz XBWVGMLOPRSOKA-DHZHZOJOSA-N 0 0 331.343 2.965 10 10 EFCERN COc1ccc(/C=C(/C)C(=O)NCc2c(O)cccc2O)cc1F ZINC001652626514 1101523581 /nfs/dbraw/zinc/52/35/81/1101523581.db2.gz XBWVGMLOPRSOKA-FLIBITNWSA-N 0 0 331.343 2.965 10 10 EFCERN CC(C)[C@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCCC1=O ZINC001652705460 1101532958 /nfs/dbraw/zinc/53/29/58/1101532958.db2.gz GDLHQIPNUDDNFU-LJQANCHMSA-N 0 0 340.423 2.809 10 10 EFCERN CC[C@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCCC1=O ZINC001652705998 1101533182 /nfs/dbraw/zinc/53/31/82/1101533182.db2.gz SMEYVEYCYFOPDK-MRXNPFEDSA-N 0 0 326.396 2.563 10 10 EFCERN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652705456 1101533368 /nfs/dbraw/zinc/53/33/68/1101533368.db2.gz GCWKQJCBNLHJFV-QGZVFWFLSA-N 0 0 340.423 2.953 10 10 EFCERN CCCNC(=O)CCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001652705524 1101533555 /nfs/dbraw/zinc/53/35/55/1101533555.db2.gz IVKLXAORQMNJMP-UHFFFAOYSA-N 0 0 328.412 2.858 10 10 EFCERN CC[C@@H](C(=O)NCc1c(O)ccc2ccccc21)N1CCCC1=O ZINC001652705996 1101533706 /nfs/dbraw/zinc/53/37/06/1101533706.db2.gz SMEYVEYCYFOPDK-INIZCTEOSA-N 0 0 326.396 2.563 10 10 EFCERN O=C(CSc1ncc(Cl)s1)NC(=O)NCc1ccco1 ZINC001652985212 1101573867 /nfs/dbraw/zinc/57/38/67/1101573867.db2.gz XHIGWJCKLJUTAK-UHFFFAOYSA-N 0 0 331.806 2.508 10 10 EFCERN Cc1c(C(=O)NCc2cccc(Cl)c2O)nnn1-c1ccccc1 ZINC001653563985 1101632166 /nfs/dbraw/zinc/63/21/66/1101632166.db2.gz VMXNDJRMLUQNSU-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1O ZINC001653563651 1101632427 /nfs/dbraw/zinc/63/24/27/1101632427.db2.gz HTCWXVKVGWMEQX-VIFPVBQESA-N 0 0 338.816 2.542 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001653566856 1101632693 /nfs/dbraw/zinc/63/26/93/1101632693.db2.gz CMDGMALMOLUJPT-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)NC(=O)c1ccccc1 ZINC001653563882 1101632734 /nfs/dbraw/zinc/63/27/34/1101632734.db2.gz QZWNULMEGWUBJN-LBPRGKRZSA-N 0 0 346.814 2.870 10 10 EFCERN Cc1nc(C(=O)NCc2cccc(Cl)c2O)nn1-c1ccccc1 ZINC001653567266 1101632751 /nfs/dbraw/zinc/63/27/51/1101632751.db2.gz ROGCOTDNNHJJOY-UHFFFAOYSA-N 0 0 342.786 2.865 10 10 EFCERN Cn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3O)o2)cn1 ZINC001653567334 1101632934 /nfs/dbraw/zinc/63/29/34/1101632934.db2.gz VFQILUAIIIRBIY-UHFFFAOYSA-N 0 0 331.759 2.969 10 10 EFCERN COc1ccc2c(c1)CCCCN2CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC001653810862 1101651452 /nfs/dbraw/zinc/65/14/52/1101651452.db2.gz QJOCPJMNIPGOCX-OAHLLOKOSA-N 0 0 346.471 2.864 10 10 EFCERN CCCN(CCC)c1ccc([C@@H]2NC3(CC3)C(=O)N2CCOC)cc1 ZINC000840838301 1101773222 /nfs/dbraw/zinc/77/32/22/1101773222.db2.gz NQDSHCBMBIXQOQ-GOSISDBHSA-N 0 0 345.487 2.922 10 10 EFCERN CCOC(=O)c1cnc(CC)nc1N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001655364892 1101816357 /nfs/dbraw/zinc/81/63/57/1101816357.db2.gz MODOIDZZGCLOCT-NSHDSACASA-N 0 0 345.399 2.670 10 10 EFCERN Cc1cc(CCNc2nccnc2C(N)=O)c(C)n1-c1ccccc1 ZINC001655733551 1101881402 /nfs/dbraw/zinc/88/14/02/1101881402.db2.gz NKQGIZNOFLZRKT-UHFFFAOYSA-N 0 0 335.411 2.638 10 10 EFCERN CN(C)c1cc(C(F)(F)F)nc(NCc2cc(O)ccc2O)n1 ZINC001655814588 1101895471 /nfs/dbraw/zinc/89/54/71/1101895471.db2.gz BJRKAMULRAXITA-UHFFFAOYSA-N 0 0 328.294 2.585 10 10 EFCERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408294 1101989087 /nfs/dbraw/zinc/98/90/87/1101989087.db2.gz CGMSHWDWDKUDEJ-HKBVPSITSA-N 0 0 327.380 2.906 10 10 EFCERN CN(C)c1ccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC001656481344 1102103290 /nfs/dbraw/zinc/10/32/90/1102103290.db2.gz PSRCAOLQNWBGHF-UHFFFAOYSA-N 0 0 340.339 2.526 10 10 EFCERN CNC(=O)Nc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125534099 1102326400 /nfs/dbraw/zinc/32/64/00/1102326400.db2.gz BGARQHRFKDQCOM-UHFFFAOYSA-N 0 0 344.390 2.573 10 10 EFCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000072965525 1102366495 /nfs/dbraw/zinc/36/64/95/1102366495.db2.gz VCOXABCVHVSPJR-LLVKDONJSA-N 0 0 332.375 2.915 10 10 EFCERN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCS(=O)CC2)c1[O-] ZINC001657574504 1102395090 /nfs/dbraw/zinc/39/50/90/1102395090.db2.gz UQXJSPUEZBQBAV-UHFFFAOYSA-N 0 0 329.849 2.591 10 10 EFCERN COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3c(=O)[nH]2)c1 ZINC001658023808 1102428707 /nfs/dbraw/zinc/42/87/07/1102428707.db2.gz PDNMYVNVSJDMML-LLVKDONJSA-N 0 0 325.368 2.900 10 10 EFCERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001648887123 1102549244 /nfs/dbraw/zinc/54/92/44/1102549244.db2.gz FBIHMUFKBUGJKG-GFCCVEGCSA-N 0 0 333.409 2.595 10 10 EFCERN COc1cc(C(=O)N[C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1F ZINC001648890091 1102549887 /nfs/dbraw/zinc/54/98/87/1102549887.db2.gz ZEROVMPWCSDJBF-SECBINFHSA-N 0 0 334.303 2.939 10 10 EFCERN C[C@@H](NC(=O)CCN1CSCCSC1)c1ccccc1O ZINC001648889842 1102550253 /nfs/dbraw/zinc/55/02/53/1102550253.db2.gz OODUJBPPRXUEEZ-GFCCVEGCSA-N 0 0 326.487 2.657 10 10 EFCERN Cc1ncc(Br)c(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001648891526 1102556676 /nfs/dbraw/zinc/55/66/76/1102556676.db2.gz ANTBIQXXGIUSEA-QMMMGPOBSA-N 0 0 336.189 2.744 10 10 EFCERN CCOc1ccc(N(CC(=O)NCC(F)(F)F)CC2CC2)cc1 ZINC001659792791 1102566695 /nfs/dbraw/zinc/56/66/95/1102566695.db2.gz ARPALMGUPXBKET-UHFFFAOYSA-N 0 0 330.350 2.980 10 10 EFCERN CN(C)c1ccc(/C=C/CN2CCC3(CCC3)S(=O)(=O)CC2)cc1 ZINC000840969555 1102620262 /nfs/dbraw/zinc/62/02/62/1102620262.db2.gz INOFTIOAWANHEV-HWKANZROSA-N 0 0 348.512 2.809 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nn2C)cc1 ZINC000905448282 1103178293 /nfs/dbraw/zinc/17/82/93/1103178293.db2.gz LPTJBRDTASUXOF-UHFFFAOYSA-N 0 0 349.438 2.820 10 10 EFCERN Cc1cc(C)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000905449383 1103180486 /nfs/dbraw/zinc/18/04/86/1103180486.db2.gz URUZMQQGNPGNGZ-UHFFFAOYSA-N 0 0 327.428 2.671 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C)C(=O)C2(C)C)cc1 ZINC001127027491 1103292425 /nfs/dbraw/zinc/29/24/25/1103292425.db2.gz DEJHNXLHKBMHOB-UHFFFAOYSA-N 0 0 339.439 2.787 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(F)cc2ccncc21 ZINC001545668906 1103367113 /nfs/dbraw/zinc/36/71/13/1103367113.db2.gz ARPAXFKEMDFUPW-UHFFFAOYSA-N 0 0 326.327 2.758 10 10 EFCERN CC[C@@](O)(CN1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905874369 1103676829 /nfs/dbraw/zinc/67/68/29/1103676829.db2.gz KBVFPXIYHMSQRL-OAHLLOKOSA-N 0 0 332.366 2.521 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000905960053 1103782698 /nfs/dbraw/zinc/78/26/98/1103782698.db2.gz WQYIIORZAVLDCN-ZWKOTPCHSA-N 0 0 344.455 2.833 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2cnn(C3CC3)c2N)cc1 ZINC000906282456 1104068068 /nfs/dbraw/zinc/06/80/68/1104068068.db2.gz SPQXTIGBHVJJRV-UHFFFAOYSA-N 0 0 327.432 2.576 10 10 EFCERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCCc1ccc(O)c(O)c1 ZINC001545669408 1104175752 /nfs/dbraw/zinc/17/57/52/1104175752.db2.gz ZMMZTQSPIAWNBI-UHFFFAOYSA-N 0 0 345.786 2.529 10 10 EFCERN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000906419426 1104201553 /nfs/dbraw/zinc/20/15/53/1104201553.db2.gz JJMZMRDLLDKPAD-ZMYBRWDISA-N 0 0 344.455 2.516 10 10 EFCERN Cc1cc(C)c(CC(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[nH]1 ZINC000906454959 1104220642 /nfs/dbraw/zinc/22/06/42/1104220642.db2.gz LGZKJGYPZQRDLE-UHFFFAOYSA-N 0 0 339.439 2.645 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000906510824 1104256973 /nfs/dbraw/zinc/25/69/73/1104256973.db2.gz DIVCOVQPPNDYQJ-RDTXWAMCSA-N 0 0 332.444 2.595 10 10 EFCERN COCCN(Cc1csnc1OC)c1ccc(OC)c(OC)c1 ZINC001307533953 1104668544 /nfs/dbraw/zinc/66/85/44/1104668544.db2.gz WKXYZGSNCWLEGE-UHFFFAOYSA-N 0 0 338.429 2.822 10 10 EFCERN COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1C ZINC001670850492 1104741149 /nfs/dbraw/zinc/74/11/49/1104741149.db2.gz KVGLUAMMNOEUJY-MAUKXSAKSA-N 0 0 346.471 2.557 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)NC[C@H]1Cc2ccccc2O1 ZINC001672752140 1105895634 /nfs/dbraw/zinc/89/56/34/1105895634.db2.gz QLPLRHHLHUCJIA-CYBMUJFWSA-N 0 0 332.787 2.849 10 10 EFCERN Nc1ccc(CCNC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000841959407 1106046383 /nfs/dbraw/zinc/04/63/83/1106046383.db2.gz XBECDZSQWWOKJE-SFHVURJKSA-N 0 0 331.460 2.945 10 10 EFCERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897734627 1106083632 /nfs/dbraw/zinc/08/36/32/1106083632.db2.gz MEFCRYAYZKVWNV-CUPWCCFTSA-N 0 0 345.420 2.808 10 10 EFCERN O=C(NCC1(CF)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897898782 1106137475 /nfs/dbraw/zinc/13/74/75/1106137475.db2.gz RZANHTAZYYYRDH-UHFFFAOYSA-N 0 0 339.388 2.809 10 10 EFCERN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897902055 1106140109 /nfs/dbraw/zinc/14/01/09/1106140109.db2.gz ITSLHYLGPMQPOW-PXAZEXFGSA-N 0 0 347.436 2.839 10 10 EFCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897925180 1106153326 /nfs/dbraw/zinc/15/33/26/1106153326.db2.gz IKXCJPOYFKNMHL-LFDJNIOPSA-N 0 0 343.471 2.848 10 10 EFCERN Cn1ncc2c1CCCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000897970701 1106155992 /nfs/dbraw/zinc/15/59/92/1106155992.db2.gz OKZZADZZDQXFPC-UHFFFAOYSA-N 0 0 343.408 2.635 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](CCO)CC1 ZINC000898000988 1106175026 /nfs/dbraw/zinc/17/50/26/1106175026.db2.gz DMXGXUKREZFMKD-LLVKDONJSA-N 0 0 335.425 2.937 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(O)cc1O)C(=O)c1cccc(F)c1 ZINC001142533229 1106238724 /nfs/dbraw/zinc/23/87/24/1106238724.db2.gz HUOLXIDHOCCSCA-LLVKDONJSA-N 0 0 331.343 2.762 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccc(C)c(O)c3)CC2)cc1 ZINC000089433522 1106288036 /nfs/dbraw/zinc/28/80/36/1106288036.db2.gz LQLYZRLQKZLQRB-UHFFFAOYSA-N 0 0 340.423 2.601 10 10 EFCERN O=C(NCc1ncc(Br)s1)NCc1ccccc1O ZINC001675477780 1106369686 /nfs/dbraw/zinc/36/96/86/1106369686.db2.gz HRRFRQUEAIHYOJ-UHFFFAOYSA-N 0 0 342.218 2.611 10 10 EFCERN CCOC(OCC)[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001676923455 1106626654 /nfs/dbraw/zinc/62/66/54/1106626654.db2.gz MGUWJXQSUMNQEA-NWDGAFQWSA-N 0 0 340.420 2.549 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)N1Cc3cccc(O)c3C1)CCO2 ZINC001681127390 1108140006 /nfs/dbraw/zinc/14/00/06/1108140006.db2.gz QNZLZCROUOSXOM-MRXNPFEDSA-N 0 0 340.379 2.950 10 10 EFCERN COc1ccc(N2CCN(C(=O)NC[C@@H]3C[C@H]3C(C)C)CC2)cc1F ZINC001681157796 1108148668 /nfs/dbraw/zinc/14/86/68/1108148668.db2.gz YVMJWOLADOOQTH-HOCLYGCPSA-N 0 0 349.450 2.958 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926961730 1108303988 /nfs/dbraw/zinc/30/39/88/1108303988.db2.gz JKQAZCVZHLKLIC-HZMBPMFUSA-N 0 0 348.365 2.712 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC001681887449 1108467510 /nfs/dbraw/zinc/46/75/10/1108467510.db2.gz GGBKYBPAJUQLHL-HKUYNNGSSA-N 0 0 345.487 2.979 10 10 EFCERN COc1cccc(CNC(=O)NCCc2cc(F)ccc2F)c1O ZINC000176456727 1108601162 /nfs/dbraw/zinc/60/11/62/1108601162.db2.gz PZHMSHUJERQQSA-UHFFFAOYSA-N 0 0 336.338 2.721 10 10 EFCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cncc1F ZINC001682403340 1108616695 /nfs/dbraw/zinc/61/66/95/1108616695.db2.gz IYRCLEZMWRTGAU-QMMMGPOBSA-N 0 0 325.290 2.765 10 10 EFCERN CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O ZINC000924686935 1108619561 /nfs/dbraw/zinc/61/95/61/1108619561.db2.gz UFNZJCPVLZOKGD-QGZVFWFLSA-N 0 0 325.412 2.840 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001682627935 1108624164 /nfs/dbraw/zinc/62/41/64/1108624164.db2.gz HWYGSUSUJCUEMN-SJLPKXTDSA-N 0 0 341.411 2.849 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001682627232 1108624645 /nfs/dbraw/zinc/62/46/45/1108624645.db2.gz AKUJMBVHIMFCGG-NVXWUHKLSA-N 0 0 327.384 2.507 10 10 EFCERN Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1-c1cccc(Cl)c1 ZINC000748056683 1108724789 /nfs/dbraw/zinc/72/47/89/1108724789.db2.gz DLOBJOMLSUXRQE-UHFFFAOYSA-N 0 0 329.791 2.796 10 10 EFCERN CN(C)c1ccc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1 ZINC001625786929 1108772161 /nfs/dbraw/zinc/77/21/61/1108772161.db2.gz RWNIPAVFZCRKJI-UHFFFAOYSA-N 0 0 337.379 2.893 10 10 EFCERN CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)cc1[O-] ZINC000796857257 1108851580 /nfs/dbraw/zinc/85/15/80/1108851580.db2.gz RSIARMXZVRCNQY-OAHLLOKOSA-N 0 0 329.437 2.787 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000898625601 1109034926 /nfs/dbraw/zinc/03/49/26/1109034926.db2.gz JGEFLUKQSXXYFU-XBVQOTNRSA-N 0 0 344.455 2.539 10 10 EFCERN C[C@@]12COC[C@]1(C)CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000898677699 1109053906 /nfs/dbraw/zinc/05/39/06/1109053906.db2.gz SSFRTFQQUDSOTO-CALCHBBNSA-N 0 0 333.409 2.811 10 10 EFCERN C[C@@]1(C(F)F)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899021591 1109179257 /nfs/dbraw/zinc/17/92/57/1109179257.db2.gz PEWMARFPEDXGGN-HNNXBMFYSA-N 0 0 343.351 2.809 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](C(F)F)CC1 ZINC000899166416 1109229493 /nfs/dbraw/zinc/22/94/93/1109229493.db2.gz NHZVXNRLJSHJFR-LLVKDONJSA-N 0 0 343.351 2.809 10 10 EFCERN CC(C)=C(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899471848 1109343417 /nfs/dbraw/zinc/34/34/17/1109343417.db2.gz BIAUHHLZQCOGGC-UHFFFAOYSA-N 0 0 343.471 2.751 10 10 EFCERN CCC1(CC)CN(Cc2cc(F)cc(C(C)=O)c2O)CC[S@@]1=O ZINC000185283517 1119966052 /nfs/dbraw/zinc/96/60/52/1119966052.db2.gz COXJPNZMOBJIHZ-QHCPKHFHSA-N 0 0 341.448 2.857 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC001299243562 1120698708 /nfs/dbraw/zinc/69/87/08/1120698708.db2.gz VZLLDZDYBIUABQ-HOTGVXAUSA-N 0 0 338.367 2.797 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC001299243566 1120698768 /nfs/dbraw/zinc/69/87/68/1120698768.db2.gz VZLLDZDYBIUABQ-HZPDHXFCSA-N 0 0 338.367 2.797 10 10 EFCERN CC(=O)OC(OC(C)=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004611560 210232591 /nfs/dbraw/zinc/23/25/91/210232591.db2.gz QAJVGHLJWHZZRU-UHFFFAOYSA-N 0 0 338.315 2.587 10 10 EFCERN CCNc1nc2nnc(SCc3ccc(F)cc3)n2c(NCC)n1 ZINC000004166191 210136366 /nfs/dbraw/zinc/13/63/66/210136366.db2.gz JAHFDQZJBCADQE-UHFFFAOYSA-N 0 0 347.423 2.814 10 10 EFCERN COCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101842580 219166949 /nfs/dbraw/zinc/16/69/49/219166949.db2.gz KKFABVDPNRXEDD-OBGWFSINSA-N 0 0 335.407 2.948 10 10 EFCERN CSC1=NSC2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=N)N12 ZINC000003894840 210086158 /nfs/dbraw/zinc/08/61/58/210086158.db2.gz PYLORXBXHSXBMH-OAOWJTDASA-N 0 0 347.381 2.534 10 10 EFCERN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=N)S1 ZINC000003862076 210080751 /nfs/dbraw/zinc/08/07/51/210080751.db2.gz QZDGUBVXIGFTRA-KBQPTLSZSA-N 0 0 344.396 2.820 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1F ZINC000066841407 215084431 /nfs/dbraw/zinc/08/44/31/215084431.db2.gz GBHSIPUQHOHFFX-CVEARBPZSA-N 0 0 344.434 2.825 10 10 EFCERN CCCOc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1 ZINC000040867526 213395694 /nfs/dbraw/zinc/39/56/94/213395694.db2.gz PCIAOCXHOSZFKX-LCYFTJDESA-N 0 0 336.438 2.728 10 10 EFCERN CC[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1O ZINC000069698209 215536140 /nfs/dbraw/zinc/53/61/40/215536140.db2.gz BZHKWOFFAMOMGK-AWEZNQCLSA-N 0 0 340.379 2.958 10 10 EFCERN COc1cc(-c2n[nH]c(Cc3ccc(N)cc3)n2)cc(OC)c1OC ZINC000072236622 216076787 /nfs/dbraw/zinc/07/67/87/216076787.db2.gz FQGYJBZTJVWCJB-UHFFFAOYSA-N 0 0 340.383 2.671 10 10 EFCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159087891 239019412 /nfs/dbraw/zinc/01/94/12/239019412.db2.gz AWNAUKUSZDNVOW-NHYWBVRUSA-N 0 0 340.379 2.622 10 10 EFCERN C[C@H](CN1CCCc2cc(OC(F)F)ccc21)CS(C)(=O)=O ZINC000163120580 239102961 /nfs/dbraw/zinc/10/29/61/239102961.db2.gz ZVBDIJVTLCLBJO-LLVKDONJSA-N 0 0 333.400 2.721 10 10 EFCERN CN(C)c1noc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000191908292 240012583 /nfs/dbraw/zinc/01/25/83/240012583.db2.gz ORQFZWMHOUZGEK-UHFFFAOYSA-N 0 0 336.823 2.874 10 10 EFCERN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000185407662 299350504 /nfs/dbraw/zinc/35/05/04/299350504.db2.gz MNJRRBWEMVQRAB-GUYCJALGSA-N 0 0 330.403 2.881 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000193257932 240093362 /nfs/dbraw/zinc/09/33/62/240093362.db2.gz YSGLVEMCQCAJNM-HNNXBMFYSA-N 0 0 339.395 2.660 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H]2COc3ccccc32)cc1F ZINC000194680449 240169900 /nfs/dbraw/zinc/16/99/00/240169900.db2.gz DPCGYRGADHDIJJ-OAHLLOKOSA-N 0 0 329.375 2.825 10 10 EFCERN CC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H](C)C1 ZINC000268687536 240556739 /nfs/dbraw/zinc/55/67/39/240556739.db2.gz DQUJBEHTZVSFQF-INIZCTEOSA-N 0 0 339.439 2.787 10 10 EFCERN C[C@@H]1COCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000277624100 240788158 /nfs/dbraw/zinc/78/81/58/240788158.db2.gz IUBTWEGYSLLIGC-PVAVHDDUSA-N 0 0 348.443 2.508 10 10 EFCERN COc1ccc(N2CCN(Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000277859936 240793331 /nfs/dbraw/zinc/79/33/31/240793331.db2.gz CZQYPDXISZZBSY-UHFFFAOYSA-N 0 0 349.438 2.598 10 10 EFCERN CN1CCCc2cc(CN3C(=O)[C@@H]4[C@@H]5CCC[C@H]5CN4C3=O)ccc21 ZINC000277911517 240793650 /nfs/dbraw/zinc/79/36/50/240793650.db2.gz PXXGFVKWYKQMLM-JZXOWHBKSA-N 0 0 339.439 2.632 10 10 EFCERN CO[C@H]1COCC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294200199 241036086 /nfs/dbraw/zinc/03/60/86/241036086.db2.gz BQWFQIBRDYSSQV-LPHOPBHVSA-N 0 0 346.471 2.685 10 10 EFCERN Cc1cc(C(=O)NC2(CCO)CCCC2)c(C)n1-c1ccccn1 ZINC000285854724 240972525 /nfs/dbraw/zinc/97/25/25/240972525.db2.gz BSOYLNHCFHLQRF-UHFFFAOYSA-N 0 0 327.428 2.914 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000294125096 241033036 /nfs/dbraw/zinc/03/30/36/241033036.db2.gz GRHKBCBGVRKNNR-GFCCVEGCSA-N 0 0 336.798 2.733 10 10 EFCERN COC(=O)[C@H](CF)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296059718 241075399 /nfs/dbraw/zinc/07/53/99/241075399.db2.gz PEZXTJTUBXBWGI-INIZCTEOSA-N 0 0 336.432 2.985 10 10 EFCERN CCn1ccnc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278889 241081096 /nfs/dbraw/zinc/08/10/96/241081096.db2.gz DXSWOWQRDRYCPO-AWEZNQCLSA-N 0 0 332.423 2.730 10 10 EFCERN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295448819 241052128 /nfs/dbraw/zinc/05/21/28/241052128.db2.gz VEDDEMRSVDCJHU-LLVKDONJSA-N 0 0 327.783 2.960 10 10 EFCERN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484084 241054101 /nfs/dbraw/zinc/05/41/01/241054101.db2.gz XFVQEDWOYFSYNW-HZPDHXFCSA-N 0 0 343.826 2.937 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295775851 241061417 /nfs/dbraw/zinc/06/14/17/241061417.db2.gz RXHIVXFMLNSZSO-DUXPYHPUSA-N 0 0 331.412 2.655 10 10 EFCERN COc1ccc(OC)c([C@@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000299520228 241180247 /nfs/dbraw/zinc/18/02/47/241180247.db2.gz QDDZHDSQRJJICA-GFCCVEGCSA-N 0 0 330.384 2.970 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000301893338 241188351 /nfs/dbraw/zinc/18/83/51/241188351.db2.gz MSALFRWORXCNFQ-HEWZJLJBSA-N 0 0 334.372 2.521 10 10 EFCERN Cc1cc(N(C)C)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301961035 241189562 /nfs/dbraw/zinc/18/95/62/241189562.db2.gz HVWFPSAZXWMLRW-UHFFFAOYSA-N 0 0 326.360 2.624 10 10 EFCERN CN(CCc1cccs1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301713346 241189586 /nfs/dbraw/zinc/18/95/86/241189586.db2.gz YUMKHSFSDAVTNK-UHFFFAOYSA-N 0 0 333.369 2.666 10 10 EFCERN CN(Cc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301697068 241190197 /nfs/dbraw/zinc/19/01/97/241190197.db2.gz QFNWJPXGRRPALB-UHFFFAOYSA-N 0 0 331.303 2.701 10 10 EFCERN CC(C)Oc1nccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000302039546 241192949 /nfs/dbraw/zinc/19/29/49/241192949.db2.gz RALUBLQXZYJTBL-UHFFFAOYSA-N 0 0 328.416 2.713 10 10 EFCERN C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H]1C ZINC000297537993 241124794 /nfs/dbraw/zinc/12/47/94/241124794.db2.gz ZTQOQYBZMBBVTG-YJNKXOJESA-N 0 0 349.450 2.989 10 10 EFCERN C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[C@H]1C ZINC000297537992 241125111 /nfs/dbraw/zinc/12/51/11/241125111.db2.gz ZTQOQYBZMBBVTG-XQLPTFJDSA-N 0 0 349.450 2.989 10 10 EFCERN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000366566492 242356936 /nfs/dbraw/zinc/35/69/36/242356936.db2.gz AGYFSIOVQDEFKB-QAPCUYQASA-N 0 0 337.391 2.504 10 10 EFCERN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c(O)c1O ZINC000366850024 242364762 /nfs/dbraw/zinc/36/47/62/242364762.db2.gz RKFDWWAKRGJPDR-DLBZAZTESA-N 0 0 349.390 2.878 10 10 EFCERN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470686 242297647 /nfs/dbraw/zinc/29/76/47/242297647.db2.gz DDENKKYMFLAKKZ-GXFFZTMASA-N 0 0 326.799 2.675 10 10 EFCERN Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc(O)c2O)n1 ZINC000365559564 242329021 /nfs/dbraw/zinc/32/90/21/242329021.db2.gz SLRXHLCHEKKNIX-ZDUSSCGKSA-N 0 0 327.384 2.518 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCOC3)cc1F ZINC000367878993 242394629 /nfs/dbraw/zinc/39/46/29/242394629.db2.gz QFZSSPPSSRANFN-GOSISDBHSA-N 0 0 335.423 2.604 10 10 EFCERN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(C)c3)=N2)cc1 ZINC000020924386 212188862 /nfs/dbraw/zinc/18/88/62/212188862.db2.gz WYTVMWDMABNFJM-KRWDZBQOSA-N 0 0 335.407 2.904 10 10 EFCERN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccccc3C)=N2)cc1 ZINC000020924446 212188331 /nfs/dbraw/zinc/18/83/31/212188331.db2.gz LPSMFSLWHLVQCD-KRWDZBQOSA-N 0 0 335.407 2.904 10 10 EFCERN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000286109680 291724843 /nfs/dbraw/zinc/72/48/43/291724843.db2.gz YHRLSMORVYDPRC-ZDUSSCGKSA-N 0 0 343.379 2.610 10 10 EFCERN CCOC(=O)CNC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228565 211054887 /nfs/dbraw/zinc/05/48/87/211054887.db2.gz BFNUIZQVWOCKHW-UHFFFAOYSA-N 0 0 343.427 2.765 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277305055 296424927 /nfs/dbraw/zinc/42/49/27/296424927.db2.gz LDRVVSHVGCNPKB-NXHRZFHOSA-N 0 0 339.439 2.850 10 10 EFCERN Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1C)C(=O)N2C ZINC000033928596 292305997 /nfs/dbraw/zinc/30/59/97/292305997.db2.gz XXQVNQSZSZBWAO-RVDMUPIBSA-N 0 0 331.375 2.759 10 10 EFCERN CCN1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S ZINC000005445348 276145566 /nfs/dbraw/zinc/14/55/66/276145566.db2.gz PDSIKNQEIIPDOR-MDZDMXLPSA-N 0 0 335.366 2.788 10 10 EFCERN COc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000263956743 277909292 /nfs/dbraw/zinc/90/92/92/277909292.db2.gz GONJWDRHYKZJTC-UHFFFAOYSA-N 0 0 328.372 2.633 10 10 EFCERN Cn1ncc(Br)c1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000278206241 279401486 /nfs/dbraw/zinc/40/14/86/279401486.db2.gz HKTWXJRSOWTIFV-WTKPLQERSA-N 0 0 344.259 2.546 10 10 EFCERN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185994461 290026856 /nfs/dbraw/zinc/02/68/56/290026856.db2.gz YMOHREVMVNYYDB-DTWKUNHWSA-N 0 0 327.215 2.956 10 10 EFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3cccnc3)cc2N1 ZINC000370537197 304643249 /nfs/dbraw/zinc/64/32/49/304643249.db2.gz BMXSYJCVTQQJGZ-CYBMUJFWSA-N 0 0 340.339 2.662 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@@H]1CO ZINC000081479176 473205794 /nfs/dbraw/zinc/20/57/94/473205794.db2.gz IBOAKRNFQJAVCD-AEFFLSMTSA-N 0 0 331.460 2.637 10 10 EFCERN O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1 ZINC000095955835 473229732 /nfs/dbraw/zinc/22/97/32/473229732.db2.gz CSPPRLVTDKPKOK-LBPRGKRZSA-N 0 0 343.349 2.827 10 10 EFCERN Cc1nc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000096310179 473373839 /nfs/dbraw/zinc/37/38/39/473373839.db2.gz TVLNRZKNHVMVJZ-DAXSKMNVSA-N 0 0 343.452 2.618 10 10 EFCERN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000185281511 473384595 /nfs/dbraw/zinc/38/45/95/473384595.db2.gz GMBFDGXFZOTFLN-GFCCVEGCSA-N 0 0 349.381 2.753 10 10 EFCERN COc1ccccc1/C=C/C=C1\SC(N2CCOCC2)=NC1=O ZINC000013985904 471846619 /nfs/dbraw/zinc/84/66/19/471846619.db2.gz GXEDKNBHXCJPNW-JZOQAJJYSA-N 0 0 330.409 2.554 10 10 EFCERN COc1cccc([C@H]2Nc3cc(OC)c(OC)cc3C(=O)N2C)c1O ZINC000030540425 472338850 /nfs/dbraw/zinc/33/88/50/472338850.db2.gz MHUWYDSGACLYFY-KRWDZBQOSA-N 0 0 344.367 2.614 10 10 EFCERN Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1-c1ccccc1 ZINC000069488749 472353530 /nfs/dbraw/zinc/35/35/30/472353530.db2.gz SJENJTDTBVPIHO-UHFFFAOYSA-N 0 0 335.411 2.650 10 10 EFCERN CN(C)c1ccc(CN(CC2CC2)C(=O)CCc2cnn(C)c2)cc1 ZINC000069774636 472426357 /nfs/dbraw/zinc/42/63/57/472426357.db2.gz KXWWWUYKBQYYGU-UHFFFAOYSA-N 0 0 340.471 2.858 10 10 EFCERN COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000032810011 472470409 /nfs/dbraw/zinc/47/04/09/472470409.db2.gz XSQIUGLVKZOYFO-UHFFFAOYSA-N 0 0 332.356 2.950 10 10 EFCERN COCc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000046127835 472516345 /nfs/dbraw/zinc/51/63/45/472516345.db2.gz BIKHLABWJKRPHO-UHFFFAOYSA-N 0 0 340.423 2.804 10 10 EFCERN O=C1CN(c2ccc(CNc3nccc4sccc43)cc2)CCN1 ZINC000071140039 472543075 /nfs/dbraw/zinc/54/30/75/472543075.db2.gz CAWCSLZESUCQTH-UHFFFAOYSA-N 0 0 338.436 2.845 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000071792529 472566108 /nfs/dbraw/zinc/56/61/08/472566108.db2.gz SKHUOIJFXMKUTK-UHFFFAOYSA-N 0 0 342.399 2.976 10 10 EFCERN COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1NC(C)=O ZINC000071792581 472566452 /nfs/dbraw/zinc/56/64/52/472566452.db2.gz YHKJXTGLNUHNSR-UHFFFAOYSA-N 0 0 345.355 2.557 10 10 EFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000072526157 472672552 /nfs/dbraw/zinc/67/25/52/472672552.db2.gz VQIOVUDHUUYQOQ-JKSUJKDBSA-N 0 0 328.416 2.914 10 10 EFCERN CCc1noc(CN(C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801378 472718743 /nfs/dbraw/zinc/71/87/43/472718743.db2.gz LXDQBVANOPPABJ-UHFFFAOYSA-N 0 0 330.432 2.741 10 10 EFCERN COc1ccc(N2CCN(C(=O)Nc3cccc(F)n3)CC2)cc1 ZINC000134091925 472873524 /nfs/dbraw/zinc/87/35/24/472873524.db2.gz BIFVSNOMPGXVOR-UHFFFAOYSA-N 0 0 330.363 2.583 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000079498222 472873791 /nfs/dbraw/zinc/87/37/91/472873791.db2.gz IQDCQQZQYNMHOM-GFCCVEGCSA-N 0 0 337.391 2.898 10 10 EFCERN COc1cccc(CN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000092539675 472932821 /nfs/dbraw/zinc/93/28/21/472932821.db2.gz XKMPJUAPYCIKLJ-UHFFFAOYSA-N 0 0 332.444 2.625 10 10 EFCERN Cc1nn(C)c(C)c1/C=C/C(=O)NCCCSc1nccs1 ZINC000074135854 472949013 /nfs/dbraw/zinc/94/90/13/472949013.db2.gz JPHUGMLZJAEIMQ-AATRIKPKSA-N 0 0 336.486 2.805 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)cc1 ZINC000050287545 472987818 /nfs/dbraw/zinc/98/78/18/472987818.db2.gz ALSGLQXUOSITCY-RBUKOAKNSA-N 0 0 337.423 2.543 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCOC3)cc2)CC1 ZINC000108583695 473043299 /nfs/dbraw/zinc/04/32/99/473043299.db2.gz QTVDICSAOMYRJB-GOSISDBHSA-N 0 0 331.460 2.853 10 10 EFCERN Cc1cc(Cl)cc(CN2CCN(C(=O)c3cccnc3)CC2)c1O ZINC000123277976 473120979 /nfs/dbraw/zinc/12/09/79/473120979.db2.gz KZNNGBDGKQNNOZ-UHFFFAOYSA-N 0 0 345.830 2.707 10 10 EFCERN CCOc1ccc(O)c(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000093883600 473156868 /nfs/dbraw/zinc/15/68/68/473156868.db2.gz BFAXLUXWNNODIB-LBPRGKRZSA-N 0 0 332.366 2.859 10 10 EFCERN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O ZINC000075278417 473159208 /nfs/dbraw/zinc/15/92/08/473159208.db2.gz IYEWBTKEZVGUJP-RBKZQELPSA-N 0 0 344.396 2.676 10 10 EFCERN CCCC[C@@H](NC(=O)NCC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000136982973 473189507 /nfs/dbraw/zinc/18/95/07/473189507.db2.gz HWDAFWQRNUWATQ-QGZVFWFLSA-N 0 0 348.491 2.589 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)cc1 ZINC000096649595 473459149 /nfs/dbraw/zinc/45/91/49/473459149.db2.gz IEJBIPVPKLTOND-UHFFFAOYSA-N 0 0 338.407 2.860 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C12CCOCC2 ZINC000185669464 473484363 /nfs/dbraw/zinc/48/43/63/473484363.db2.gz IQDDRHYVFLMBRB-IRXDYDNUSA-N 0 0 348.443 2.508 10 10 EFCERN CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C12CCOCC2 ZINC000185669500 473484528 /nfs/dbraw/zinc/48/45/28/473484528.db2.gz IQDDRHYVFLMBRB-SJORKVTESA-N 0 0 348.443 2.508 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000178685778 473545802 /nfs/dbraw/zinc/54/58/02/473545802.db2.gz ZLAIZPUKWAEMLD-CQSZACIVSA-N 0 0 341.459 2.749 10 10 EFCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000152347304 473551310 /nfs/dbraw/zinc/55/13/10/473551310.db2.gz FLJMXXNFWFJKDO-MRXNPFEDSA-N 0 0 330.359 2.782 10 10 EFCERN Cc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)n1-c1ccccn1 ZINC000116230270 473640542 /nfs/dbraw/zinc/64/05/42/473640542.db2.gz LFMNRVGZMLMBOQ-INIZCTEOSA-N 0 0 349.438 2.852 10 10 EFCERN COC(=O)[C@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC000179660959 473706123 /nfs/dbraw/zinc/70/61/23/473706123.db2.gz DBSWGZXFALJEJC-GFCCVEGCSA-N 0 0 328.206 2.601 10 10 EFCERN COC[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024065 473728402 /nfs/dbraw/zinc/72/84/02/473728402.db2.gz ZWTKCHFORDPWHW-STQMWFEESA-N 0 0 342.386 2.656 10 10 EFCERN COC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024588 473728485 /nfs/dbraw/zinc/72/84/85/473728485.db2.gz BMXZBRYWISXZIN-GFCCVEGCSA-N 0 0 342.386 2.798 10 10 EFCERN COc1cccc([C@H]2CN(Cc3cc(OC)ccc3O)CCO2)c1 ZINC000180047797 473785377 /nfs/dbraw/zinc/78/53/77/473785377.db2.gz BATRWRKINQHEOA-LJQANCHMSA-N 0 0 329.396 2.983 10 10 EFCERN CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287892024 473790712 /nfs/dbraw/zinc/79/07/12/473790712.db2.gz ZAKKVTQBBRVYBZ-SMDDNHRTSA-N 0 0 325.840 2.890 10 10 EFCERN CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287892006 473790763 /nfs/dbraw/zinc/79/07/63/473790763.db2.gz ZAKKVTQBBRVYBZ-FZMZJTMJSA-N 0 0 325.840 2.890 10 10 EFCERN CN1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217353 473838601 /nfs/dbraw/zinc/83/86/01/473838601.db2.gz IGQWJCVHCYVTAM-ZBFHGGJFSA-N 0 0 348.349 2.551 10 10 EFCERN COc1ccc(O)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187707622 473907279 /nfs/dbraw/zinc/90/72/79/473907279.db2.gz PHXHUSALJROVAL-UHFFFAOYSA-N 0 0 328.368 2.506 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1[O-] ZINC000187735115 473911311 /nfs/dbraw/zinc/91/13/11/473911311.db2.gz MKORIRZQMNTYED-VXGBXAGGSA-N 0 0 336.386 2.724 10 10 EFCERN CCc1nccn1[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180758907 473958976 /nfs/dbraw/zinc/95/89/76/473958976.db2.gz MFGUXUFQFIXEEE-PMGBHYCQSA-N 0 0 341.411 2.734 10 10 EFCERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180758731 473959633 /nfs/dbraw/zinc/95/96/33/473959633.db2.gz RYGGOZZJTNGCGK-HEWZJLJBSA-N 0 0 341.411 2.825 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2cccs2)C1 ZINC000180865731 473977821 /nfs/dbraw/zinc/97/78/21/473977821.db2.gz ZWXQFJHNYJMNOU-DRDHIDPGSA-N 0 0 331.393 2.773 10 10 EFCERN COC(=O)CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275489116 474205108 /nfs/dbraw/zinc/20/51/08/474205108.db2.gz ZJUUZYDMYFCQON-UHFFFAOYSA-N 0 0 332.444 2.977 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1 ZINC000182926329 474288612 /nfs/dbraw/zinc/28/86/12/474288612.db2.gz RQLFKMCSNXPJOT-UHFFFAOYSA-N 0 0 337.427 2.745 10 10 EFCERN CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1C ZINC000289532948 474310922 /nfs/dbraw/zinc/31/09/22/474310922.db2.gz BXBNKICDBMMLBB-UHFFFAOYSA-N 0 0 327.428 2.559 10 10 EFCERN Cc1sc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000183475310 474383657 /nfs/dbraw/zinc/38/36/57/474383657.db2.gz SRQYIMMELYGJNK-QMMMGPOBSA-N 0 0 336.369 2.737 10 10 EFCERN Cc1nccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000184111958 474473434 /nfs/dbraw/zinc/47/34/34/474473434.db2.gz MWINAHWIVGUHMI-UHFFFAOYSA-N 0 0 334.423 2.966 10 10 EFCERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(CCF)CC1 ZINC000289895418 474475478 /nfs/dbraw/zinc/47/54/78/474475478.db2.gz SXMSREMGXLRAGQ-UHFFFAOYSA-N 0 0 338.398 2.543 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2CCc3ccccc3C2)c1O ZINC000266842854 474501020 /nfs/dbraw/zinc/50/10/20/474501020.db2.gz PCYPTJGTXRTNIY-INIZCTEOSA-N 0 0 326.396 2.758 10 10 EFCERN COc1ccc(N2CCN(C(=O)C3Cc4ccccc4C3)CC2)cc1 ZINC000277149171 474579606 /nfs/dbraw/zinc/57/96/06/474579606.db2.gz ANLSZDIHUBTEPC-UHFFFAOYSA-N 0 0 336.435 2.759 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC[C@H]2C)cc1F ZINC000277416695 474584159 /nfs/dbraw/zinc/58/41/59/474584159.db2.gz IAIVPEWCWUVCAA-CJNGLKHVSA-N 0 0 337.439 2.896 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)NCCCc2nccs2)cc1 ZINC000290970754 474588868 /nfs/dbraw/zinc/58/88/68/474588868.db2.gz TVFHABLMPGNKER-UHFFFAOYSA-N 0 0 332.473 2.983 10 10 EFCERN CC[C@@H]1C[C@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272868366 474628774 /nfs/dbraw/zinc/62/87/74/474628774.db2.gz GDKBDBVUIHYZLG-SJLPKXTDSA-N 0 0 346.471 2.939 10 10 EFCERN Cn1ncc(Br)c1CNCc1ccc2c(c1)CCCN2C ZINC000278564454 474707344 /nfs/dbraw/zinc/70/73/44/474707344.db2.gz WOXKKUDDPQDJNN-UHFFFAOYSA-N 0 0 349.276 2.855 10 10 EFCERN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)n(C)n1 ZINC000278610272 474734830 /nfs/dbraw/zinc/73/48/30/474734830.db2.gz GJTAGTXNWTVLHB-CQSZACIVSA-N 0 0 334.851 2.846 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268142499 474822264 /nfs/dbraw/zinc/82/22/64/474822264.db2.gz JANHIHYFDBRTRA-INIZCTEOSA-N 0 0 326.444 2.944 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000273419083 474888952 /nfs/dbraw/zinc/88/89/52/474888952.db2.gz RTNBVAHKDCEQLO-NSHDSACASA-N 0 0 333.359 2.661 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C(C)C)c1C ZINC000292385990 474995655 /nfs/dbraw/zinc/99/56/55/474995655.db2.gz WUFCREVYXHGNKC-UHFFFAOYSA-N 0 0 329.448 2.896 10 10 EFCERN COC(=O)/C=C/c1ccc(N2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000280473317 475026653 /nfs/dbraw/zinc/02/66/53/475026653.db2.gz NCNFOEPJLHINKV-VBGQJXHZSA-N 0 0 346.383 2.785 10 10 EFCERN COc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000280539895 475033158 /nfs/dbraw/zinc/03/31/58/475033158.db2.gz HTXRZULGPDRLAF-UHFFFAOYSA-N 0 0 337.397 2.989 10 10 EFCERN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)NCc1ccco1 ZINC000293676654 475047549 /nfs/dbraw/zinc/04/75/49/475047549.db2.gz RCKKQQVUKLNFTO-VIFPVBQESA-N 0 0 326.755 2.572 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000268884731 475049442 /nfs/dbraw/zinc/04/94/42/475049442.db2.gz XANUVAWBCCPIQR-FNORWQNLSA-N 0 0 346.383 2.930 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000293744009 475050013 /nfs/dbraw/zinc/05/00/13/475050013.db2.gz XKVVRKIOSNTTMU-XJKSGUPXSA-N 0 0 339.794 2.759 10 10 EFCERN O=C(CO[C@@H]1CCCc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000280861588 475053954 /nfs/dbraw/zinc/05/39/54/475053954.db2.gz SCFKKYWQLBPIEY-LJQANCHMSA-N 0 0 341.407 2.851 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000281090556 475067958 /nfs/dbraw/zinc/06/79/58/475067958.db2.gz PVTBFGNMGAJEGM-SCRDCRAPSA-N 0 0 335.400 2.561 10 10 EFCERN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@]2(CCOC2)O1 ZINC000294610909 475075149 /nfs/dbraw/zinc/07/51/49/475075149.db2.gz IOJZPSMZCFWNMV-INIZCTEOSA-N 0 0 329.799 2.955 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000294633936 475076051 /nfs/dbraw/zinc/07/60/51/475076051.db2.gz JWPFARWAEGXLQL-BDJLRTHQSA-N 0 0 343.826 2.842 10 10 EFCERN COc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC000294782976 475083829 /nfs/dbraw/zinc/08/38/29/475083829.db2.gz CULRAAUQGYGFIA-SNVBAGLBSA-N 0 0 349.358 2.615 10 10 EFCERN C[C@H]1CN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294815075 475085882 /nfs/dbraw/zinc/08/58/82/475085882.db2.gz XCEWYKNAQUSOMR-LBPRGKRZSA-N 0 0 330.831 2.775 10 10 EFCERN CC(C)C(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295266459 475115601 /nfs/dbraw/zinc/11/56/01/475115601.db2.gz HJFXMWHHHUGQMF-UHFFFAOYSA-N 0 0 328.815 2.921 10 10 EFCERN Cc1cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1N(C)C ZINC000292686827 475151625 /nfs/dbraw/zinc/15/16/25/475151625.db2.gz CDVDJZJJQJYEAH-MJGOQNOKSA-N 0 0 344.455 2.979 10 10 EFCERN Cc1cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)ccc1N(C)C ZINC000292686832 475151670 /nfs/dbraw/zinc/15/16/70/475151670.db2.gz CDVDJZJJQJYEAH-PKOBYXMFSA-N 0 0 344.455 2.979 10 10 EFCERN COc1cc(OC)cc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)c1 ZINC000347646021 475329981 /nfs/dbraw/zinc/32/99/81/475329981.db2.gz FGQHIWFVWGTSTC-UHFFFAOYSA-N 0 0 340.383 2.709 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCCCC1 ZINC000299096585 476135216 /nfs/dbraw/zinc/13/52/16/476135216.db2.gz IWZPMSMNMOSIPI-UHFFFAOYSA-N 0 0 331.460 2.903 10 10 EFCERN Cc1ccccc1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301611255 476169883 /nfs/dbraw/zinc/16/98/83/476169883.db2.gz RCWXATOODDEZOB-UHFFFAOYSA-N 0 0 327.340 2.871 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2cnccc2c1 ZINC000344313863 476243260 /nfs/dbraw/zinc/24/32/60/476243260.db2.gz YMLJSFPAEMBAST-UHFFFAOYSA-N 0 0 334.379 2.735 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000368818880 476375996 /nfs/dbraw/zinc/37/59/96/476375996.db2.gz RLKJGEGXHHORJR-PDFOZTTASA-N 0 0 331.412 2.919 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374723878 476503670 /nfs/dbraw/zinc/50/36/70/476503670.db2.gz QZXOQTULCWGQDE-BDJLRTHQSA-N 0 0 343.826 2.842 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC12CCOCC2 ZINC000365578817 476630837 /nfs/dbraw/zinc/63/08/37/476630837.db2.gz SJPCPMWWEMRALD-UHFFFAOYSA-N 0 0 329.444 2.751 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(C1)CCCOC2 ZINC000375118328 476680998 /nfs/dbraw/zinc/68/09/98/476680998.db2.gz XDJNYSJDNOPCTL-FQEVSTJZSA-N 0 0 341.455 2.775 10 10 EFCERN COCC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000365799803 476705832 /nfs/dbraw/zinc/70/58/32/476705832.db2.gz XPHRACKYXATKLA-CYBMUJFWSA-N 0 0 338.404 2.948 10 10 EFCERN Cc1cn2c(n1)CN(Cc1cc(Br)cc(C)c1O)CC2 ZINC000378640837 476723570 /nfs/dbraw/zinc/72/35/70/476723570.db2.gz XPOSSTFEKSUZTF-UHFFFAOYSA-N 0 0 336.233 2.984 10 10 EFCERN COc1cc(Br)cc(CN2CCO[C@H](C3CC3)C2)c1O ZINC000375330917 476783354 /nfs/dbraw/zinc/78/33/54/476783354.db2.gz GWLDZSCNXHPPJC-AWEZNQCLSA-N 0 0 342.233 2.774 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCCN(c2ccccc2F)CC1 ZINC000376418628 477325543 /nfs/dbraw/zinc/32/55/43/477325543.db2.gz BPHHOMRUALEGRW-UHFFFAOYSA-N 0 0 330.359 2.589 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CCCOC3)cc1 ZINC000376585862 477415964 /nfs/dbraw/zinc/41/59/64/477415964.db2.gz DJUBGGDIJFURIP-UHFFFAOYSA-N 0 0 331.460 2.855 10 10 EFCERN CC(C)n1ncc2c1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000371680959 477439980 /nfs/dbraw/zinc/43/99/80/477439980.db2.gz MZPOIMPDWHODPU-SGJXGLNRSA-N 0 0 341.411 2.562 10 10 EFCERN CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000367830442 477708478 /nfs/dbraw/zinc/70/84/78/477708478.db2.gz CFDRKGYBOUMLMY-CYBMUJFWSA-N 0 0 331.865 2.835 10 10 EFCERN CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000367830443 477708675 /nfs/dbraw/zinc/70/86/75/477708675.db2.gz CFDRKGYBOUMLMY-ZDUSSCGKSA-N 0 0 331.865 2.835 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(C1)CCOCC2 ZINC000368303398 477797053 /nfs/dbraw/zinc/79/70/53/477797053.db2.gz DNXPXCSNZBJDSW-UHFFFAOYSA-N 0 0 329.444 2.609 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592599968 478958394 /nfs/dbraw/zinc/95/83/94/478958394.db2.gz IYOXZXOIEZLMAO-UHFFFAOYSA-N 0 0 348.443 2.846 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)C1CCc2ccccc2CC1 ZINC000528858499 478963317 /nfs/dbraw/zinc/96/33/17/478963317.db2.gz UKLSUIDARUWDJZ-UHFFFAOYSA-N 0 0 325.408 2.952 10 10 EFCERN COc1ccc(O)c(CNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)c1 ZINC000528862823 478964058 /nfs/dbraw/zinc/96/40/58/478964058.db2.gz NYOIHKUFCQXQIO-HNNXBMFYSA-N 0 0 344.411 2.711 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528867287 478965515 /nfs/dbraw/zinc/96/55/15/478965515.db2.gz ZVTJIAHWPBHRNB-OAUYIBNBSA-N 0 0 329.783 2.953 10 10 EFCERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C1CCOCC1 ZINC000529514852 479185141 /nfs/dbraw/zinc/18/51/41/479185141.db2.gz WPGKLLQWJHEBID-UHFFFAOYSA-N 0 0 349.818 2.832 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1onc2c1CCCC2 ZINC000611652232 479437988 /nfs/dbraw/zinc/43/79/88/479437988.db2.gz WXAGDOCAXLRXTO-UHFFFAOYSA-N 0 0 327.384 2.659 10 10 EFCERN COC[C@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000649490407 482094504 /nfs/dbraw/zinc/09/45/04/482094504.db2.gz CUMIRHNYAFHEGI-ZDUSSCGKSA-N 0 0 330.428 2.680 10 10 EFCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCCOC2)CCCC1 ZINC000649695804 482194008 /nfs/dbraw/zinc/19/40/08/482194008.db2.gz JHAKSQLOPJHRRP-CQSZACIVSA-N 0 0 342.439 2.824 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3cccnc3)CC2)cc1 ZINC000173617230 534011367 /nfs/dbraw/zinc/01/13/67/534011367.db2.gz ZZMSEJKQDIIIRO-OAHLLOKOSA-N 0 0 325.412 2.543 10 10 EFCERN CC(C)S(=O)(=O)CCN1CCCc2cc(OC(F)F)ccc21 ZINC000178612711 528301932 /nfs/dbraw/zinc/30/19/32/528301932.db2.gz LLTQZTFIXDXNBB-UHFFFAOYSA-N 0 0 333.400 2.864 10 10 EFCERN CC1(C)OCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000297908185 534998941 /nfs/dbraw/zinc/99/89/41/534998941.db2.gz TUINHEYBXVPJHB-LLVKDONJSA-N 0 0 343.221 2.521 10 10 EFCERN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484095 535520935 /nfs/dbraw/zinc/52/09/35/535520935.db2.gz XFVQEDWOYFSYNW-JKSUJKDBSA-N 0 0 343.826 2.937 10 10 EFCERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)cc1 ZINC000296771373 535686916 /nfs/dbraw/zinc/68/69/16/535686916.db2.gz RJLTZXZQBJLXCM-YOEHRIQHSA-N 0 0 340.489 2.520 10 10 EFCERN CCOc1ccc(O)c(CN2CCO[C@@H](c3cnn(CC)c3)C2)c1 ZINC000191709699 535752118 /nfs/dbraw/zinc/75/21/18/535752118.db2.gz CDTCDNQXHVVPHZ-GOSISDBHSA-N 0 0 331.416 2.581 10 10 EFCERN COc1c(O)c(CN2CCCC[C@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000365815634 536861368 /nfs/dbraw/zinc/86/13/68/536861368.db2.gz GTKQHQBPMFWRPQ-ZDUSSCGKSA-N 0 0 348.359 2.728 10 10 EFCERN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000755125310 575546826 /nfs/dbraw/zinc/54/68/26/575546826.db2.gz BPYVRGFVRWNJJY-MRXNPFEDSA-N 0 0 349.450 2.850 10 10 EFCERN C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1[O-] ZINC000756431719 575738124 /nfs/dbraw/zinc/73/81/24/575738124.db2.gz PATAVVNGVGRJCE-YPMHNXCESA-N 0 0 334.370 2.780 10 10 EFCERN C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1[O-] ZINC000756431715 575738137 /nfs/dbraw/zinc/73/81/37/575738137.db2.gz PATAVVNGVGRJCE-DGCLKSJQSA-N 0 0 334.370 2.780 10 10 EFCERN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756440047 575739954 /nfs/dbraw/zinc/73/99/54/575739954.db2.gz CLMIOEPHEPNNBW-SECBINFHSA-N 0 0 342.212 2.921 10 10 EFCERN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756440048 575740018 /nfs/dbraw/zinc/74/00/18/575740018.db2.gz CLMIOEPHEPNNBW-VIFPVBQESA-N 0 0 342.212 2.921 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000756536641 575757025 /nfs/dbraw/zinc/75/70/25/575757025.db2.gz SCRPYGMONVINPR-GFCCVEGCSA-N 0 0 347.415 2.969 10 10 EFCERN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576924 575764740 /nfs/dbraw/zinc/76/47/40/575764740.db2.gz PLQSKWMBMZYOOL-ASCAZGACSA-N 0 0 338.242 2.713 10 10 EFCERN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756608282 575767406 /nfs/dbraw/zinc/76/74/06/575767406.db2.gz AAZOAHQEYUMNHW-WDEREUQCSA-N 0 0 332.404 2.933 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000756615055 575768145 /nfs/dbraw/zinc/76/81/45/575768145.db2.gz VJJCFVXKIQSXDN-NEPJUHHUSA-N 0 0 345.443 2.811 10 10 EFCERN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756785497 575786498 /nfs/dbraw/zinc/78/64/98/575786498.db2.gz FJGQHIOINLYKDD-NSHDSACASA-N 0 0 332.404 2.934 10 10 EFCERN Cc1cc(CC(=O)N2CC(=O)N(C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000758506679 575871121 /nfs/dbraw/zinc/87/11/21/575871121.db2.gz YOCQYBOXDZFXAJ-UHFFFAOYSA-N 0 0 345.830 2.548 10 10 EFCERN CN(C)c1ccc(NC(=O)NCCCSc2nccs2)cn1 ZINC000758551772 575872483 /nfs/dbraw/zinc/87/24/83/575872483.db2.gz MYDFXZMJJAHJCJ-UHFFFAOYSA-N 0 0 337.474 2.908 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000759578689 575904195 /nfs/dbraw/zinc/90/41/95/575904195.db2.gz IPAMZRWZECGNMW-RQOWECAXSA-N 0 0 349.289 2.571 10 10 EFCERN Cc1nn(C)c(C)c1NC(=O)NCCCSc1nccs1 ZINC000759603575 575907972 /nfs/dbraw/zinc/90/79/72/575907972.db2.gz XRNLVKLLQYOUDQ-UHFFFAOYSA-N 0 0 325.463 2.797 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2CCO)c1O ZINC000759726069 575927039 /nfs/dbraw/zinc/92/70/39/575927039.db2.gz CIAQUZIEMDKPRY-ZDUSSCGKSA-N 0 0 329.849 2.548 10 10 EFCERN Cc1cc(C(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)c(C)n1-c1ccccc1C ZINC000760372721 576013858 /nfs/dbraw/zinc/01/38/58/576013858.db2.gz SRFYOXJTOUXRGE-IYBDPMFKSA-N 0 0 336.391 2.590 10 10 EFCERN Cc1cc(C(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)c(C)n1-c1cccc(C)c1 ZINC000760372056 576013995 /nfs/dbraw/zinc/01/39/95/576013995.db2.gz ZZCGQJSGKRSDPE-CALCHBBNSA-N 0 0 336.391 2.590 10 10 EFCERN CC=CC[C@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O ZINC000761096676 576112945 /nfs/dbraw/zinc/11/29/45/576112945.db2.gz DRHLUFMSDYWZOI-RXYHWBRQSA-N 0 0 345.468 2.626 10 10 EFCERN O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761361280 576151176 /nfs/dbraw/zinc/15/11/76/576151176.db2.gz LUTKRCXAWQRRRE-JQHSSLGASA-N 0 0 337.423 2.626 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@H]1OC ZINC000761510568 576172841 /nfs/dbraw/zinc/17/28/41/576172841.db2.gz KDDHETPWVOAISW-GZBFAFLISA-N 0 0 344.249 2.745 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@@H]1OC ZINC000761510567 576172859 /nfs/dbraw/zinc/17/28/59/576172859.db2.gz KDDHETPWVOAISW-GUTXKFCHSA-N 0 0 344.249 2.745 10 10 EFCERN Cc1cccc2c1CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 ZINC000761891860 576226015 /nfs/dbraw/zinc/22/60/15/576226015.db2.gz OLAHGWOQWBSYCD-UHFFFAOYSA-N 0 0 339.351 2.797 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000763374263 576374752 /nfs/dbraw/zinc/37/47/52/576374752.db2.gz AWNMAZQEHJXOIW-VFFGBVLKSA-N 0 0 334.372 2.785 10 10 EFCERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(Cl)ccc1O ZINC000763480569 576378844 /nfs/dbraw/zinc/37/88/44/576378844.db2.gz OAKGNENFEZVKFD-OAHLLOKOSA-N 0 0 334.803 2.705 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000763646700 576383800 /nfs/dbraw/zinc/38/38/00/576383800.db2.gz AFDSTXWCDCSBAC-NSPYISDASA-N 0 0 346.290 2.664 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cncnc2)cc1F ZINC000764504713 576466558 /nfs/dbraw/zinc/46/65/58/576466558.db2.gz DVQFKHUCZGLNLQ-CYBMUJFWSA-N 0 0 330.407 2.882 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2CC(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000765413379 577039405 /nfs/dbraw/zinc/03/94/05/577039405.db2.gz MFQJJRRYWGEOFA-UHFFFAOYSA-N 0 0 343.354 2.938 10 10 EFCERN CN1CC[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419938 577040485 /nfs/dbraw/zinc/04/04/85/577040485.db2.gz YZOOYSYTLQPHAY-DZGCQCFKSA-N 0 0 338.379 2.907 10 10 EFCERN CCCN(CCC)c1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1 ZINC000765511863 577049306 /nfs/dbraw/zinc/04/93/06/577049306.db2.gz CUMMZUNFFDJFOV-DLBZAZTESA-N 0 0 333.501 2.859 10 10 EFCERN CCOc1ccc(O)c(CN2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000765678340 577065414 /nfs/dbraw/zinc/06/54/14/577065414.db2.gz CDQSNUSQXASUJU-UHFFFAOYSA-N 0 0 344.386 2.779 10 10 EFCERN CC(C)(C)n1cnc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000765950084 577091449 /nfs/dbraw/zinc/09/14/49/577091449.db2.gz OHHVSGDFXCWXLN-UHFFFAOYSA-N 0 0 333.411 2.621 10 10 EFCERN COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000766356783 577139343 /nfs/dbraw/zinc/13/93/43/577139343.db2.gz BILDECMEFCJHJL-CQSZACIVSA-N 0 0 341.363 2.788 10 10 EFCERN CCN(CC)c1ccc(CN2CCN(C(=O)C(C)C)CC2)cc1F ZINC000768184015 577259811 /nfs/dbraw/zinc/25/98/11/577259811.db2.gz DERXYOOKWGOXFY-UHFFFAOYSA-N 0 0 335.467 2.972 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000768365366 577268690 /nfs/dbraw/zinc/26/86/90/577268690.db2.gz VFWLZCIRPVRGOZ-MSOLQXFVSA-N 0 0 347.503 3.000 10 10 EFCERN Oc1cc2c(cc1CN1CCc3ccc(F)c(F)c3C1)[C@H](O)CO2 ZINC000768462499 577275611 /nfs/dbraw/zinc/27/56/11/577275611.db2.gz MAMUZWRMDNHKMM-MRXNPFEDSA-N 0 0 333.334 2.655 10 10 EFCERN COC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000768569354 577284683 /nfs/dbraw/zinc/28/46/83/577284683.db2.gz PQVRXASWSAKUCL-UHFFFAOYSA-N 0 0 344.386 2.917 10 10 EFCERN Cc1cc(C(=O)CN2C[C@H](C)[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000768765290 577299937 /nfs/dbraw/zinc/29/99/37/577299937.db2.gz CPDBHESSMPQMSZ-KPZWWZAWSA-N 0 0 330.403 2.729 10 10 EFCERN Cc1cc(C(=O)CN2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000768765293 577299947 /nfs/dbraw/zinc/29/99/47/577299947.db2.gz CPDBHESSMPQMSZ-XIKOKIGWSA-N 0 0 330.403 2.729 10 10 EFCERN CC(C)[C@H](NC(=O)NCc1ccccc1O)c1nnc2ccccn21 ZINC000726251486 577357939 /nfs/dbraw/zinc/35/79/39/577357939.db2.gz ZUKRSCGSRIZWHH-INIZCTEOSA-N 0 0 339.399 2.631 10 10 EFCERN CCCN(CCC)c1ccc(CN2CCN(C(=O)NC)CC2)cc1 ZINC000769497409 577367257 /nfs/dbraw/zinc/36/72/57/577367257.db2.gz DDTXRLJZDLXYFG-UHFFFAOYSA-N 0 0 332.492 2.770 10 10 EFCERN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499464 577367446 /nfs/dbraw/zinc/36/74/46/577367446.db2.gz YPONLTPSSOBKBG-BBRMVZONSA-N 0 0 344.377 2.675 10 10 EFCERN CCOc1ccc(O)c(CN(C)Cc2nc([C@H](C)OCC)no2)c1 ZINC000769501720 577367839 /nfs/dbraw/zinc/36/78/39/577367839.db2.gz ACCFQISBNLLNTI-LBPRGKRZSA-N 0 0 335.404 2.903 10 10 EFCERN COCc1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000726560910 577372472 /nfs/dbraw/zinc/37/24/72/577372472.db2.gz WEVMFXYBOQPCEN-UHFFFAOYSA-N 0 0 344.411 2.833 10 10 EFCERN CC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664564 577377553 /nfs/dbraw/zinc/37/75/53/577377553.db2.gz IAPWOHHXDGFKPX-OAHLLOKOSA-N 0 0 342.439 2.929 10 10 EFCERN Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1ccc(F)cc1 ZINC000726668403 577379046 /nfs/dbraw/zinc/37/90/46/577379046.db2.gz IJZXCFHVDSLZEH-UHFFFAOYSA-N 0 0 347.386 2.978 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N3CCCSCC3)CC2)cc1 ZINC000726713687 577381495 /nfs/dbraw/zinc/38/14/95/577381495.db2.gz PVUUBROHLVSAGR-UHFFFAOYSA-N 0 0 349.500 2.813 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccsc2)c1[O-] ZINC000769936247 577394251 /nfs/dbraw/zinc/39/42/51/577394251.db2.gz VCFHJOYHSIKPRW-NSHDSACASA-N 0 0 328.777 2.839 10 10 EFCERN Cc1cc(CC(=O)O[C@@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000769968653 577395826 /nfs/dbraw/zinc/39/58/26/577395826.db2.gz GOPNONGXKJZZFG-MRXNPFEDSA-N 0 0 346.814 2.722 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3cccc([S@@](C)=O)c3)ccc21 ZINC000770226647 577407761 /nfs/dbraw/zinc/40/77/61/577407761.db2.gz FCGKNVOYNAWBLH-XMMPIXPASA-N 0 0 342.464 2.736 10 10 EFCERN C[S@](=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000770224218 577407792 /nfs/dbraw/zinc/40/77/92/577407792.db2.gz WYWWWJGFGQEJBD-DEOSSOPVSA-N 0 0 344.436 2.513 10 10 EFCERN CCn1nccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000770255106 577408638 /nfs/dbraw/zinc/40/86/38/577408638.db2.gz VNDPUNUQLICLOL-UHFFFAOYSA-N 0 0 349.456 2.742 10 10 EFCERN CCOc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350482 577412341 /nfs/dbraw/zinc/41/23/41/577412341.db2.gz HLCUBSRXFRMXPS-YJBOKZPZSA-N 0 0 347.411 2.708 10 10 EFCERN CCOc1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350480 577412349 /nfs/dbraw/zinc/41/23/49/577412349.db2.gz HLCUBSRXFRMXPS-QAPCUYQASA-N 0 0 347.411 2.708 10 10 EFCERN CCCS(=O)(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000771209366 581187918 /nfs/dbraw/zinc/18/79/18/581187918.db2.gz CTDCEIKEMQYKAL-UHFFFAOYSA-N 0 0 349.387 2.991 10 10 EFCERN C[C@H](Nc1ccnc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000772298007 581304906 /nfs/dbraw/zinc/30/49/06/581304906.db2.gz PQIZLPFUJKKOHU-AWEZNQCLSA-N 0 0 327.432 2.552 10 10 EFCERN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000772454207 581324907 /nfs/dbraw/zinc/32/49/07/581324907.db2.gz UAMCPFGIGOPHMJ-AEFFLSMTSA-N 0 0 326.396 2.969 10 10 EFCERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772994567 581386385 /nfs/dbraw/zinc/38/63/85/581386385.db2.gz NXKZGKHOZLMJES-HNNXBMFYSA-N 0 0 339.439 2.668 10 10 EFCERN C[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773621444 581451369 /nfs/dbraw/zinc/45/13/69/581451369.db2.gz YXDCICXDXJOUCO-NHYWBVRUSA-N 0 0 345.365 2.522 10 10 EFCERN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773740830 581460268 /nfs/dbraw/zinc/46/02/68/581460268.db2.gz UBJSJANMLCMGSE-OLZOCXBDSA-N 0 0 345.395 2.621 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)COc1ccccc1 ZINC000773762276 581462632 /nfs/dbraw/zinc/46/26/32/581462632.db2.gz HFPPKJUOECLSSF-KBPBESRZSA-N 0 0 329.396 2.860 10 10 EFCERN CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1c(C)noc1C ZINC000773760841 581462641 /nfs/dbraw/zinc/46/26/41/581462641.db2.gz LZEORMNVGMDFEM-QMTHXVAHSA-N 0 0 332.400 2.944 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)COc1ccccc1 ZINC000773762285 581462706 /nfs/dbraw/zinc/46/27/06/581462706.db2.gz HFPPKJUOECLSSF-ZIAGYGMSSA-N 0 0 329.396 2.860 10 10 EFCERN Cc1ccccc1NC(=S)NCc1cccc(N2CCOCC2)n1 ZINC000774255019 581488118 /nfs/dbraw/zinc/48/81/18/581488118.db2.gz DFTDBIQSIWDOAG-UHFFFAOYSA-N 0 0 342.468 2.713 10 10 EFCERN C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774376032 581490497 /nfs/dbraw/zinc/49/04/97/581490497.db2.gz WDDZZPQTWHMUEB-MRVPVSSYSA-N 0 0 338.256 2.784 10 10 EFCERN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850343638 1250439320 /nfs/dbraw/zinc/43/93/20/1250439320.db2.gz QMYGPTLYKFYHSI-LBPRGKRZSA-N 0 0 327.812 2.916 10 10 EFCERN COC[C@H](CC[NH2+]Cc1cc(C)cc(Br)c1[O-])OC ZINC000850345806 1250442478 /nfs/dbraw/zinc/44/24/78/1250442478.db2.gz KXOUFXNSYCDDMB-LBPRGKRZSA-N 0 0 332.238 2.604 10 10 EFCERN Cc1cc(Br)c([O-])c(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000850365095 1250449295 /nfs/dbraw/zinc/44/92/95/1250449295.db2.gz BIIZBCCEHBATBY-LLVKDONJSA-N 0 0 336.176 2.977 10 10 EFCERN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000850484924 1250500158 /nfs/dbraw/zinc/50/01/58/1250500158.db2.gz UNUMLMZUYLCBPJ-GFCCVEGCSA-N 0 0 343.383 2.787 10 10 EFCERN COc1ccc(N2CC[C@@H](N[C@@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000850488644 1250501374 /nfs/dbraw/zinc/50/13/74/1250501374.db2.gz OICHYTQEAPDKMT-VQIMIIECSA-N 0 0 349.438 2.771 10 10 EFCERN C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500003 1250510169 /nfs/dbraw/zinc/51/01/69/1250510169.db2.gz BVQJXJJIZFXFAH-XHDPSFHLSA-N 0 0 341.367 2.539 10 10 EFCERN C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)cc(F)c1[O-] ZINC000850560325 1250538014 /nfs/dbraw/zinc/53/80/14/1250538014.db2.gz DIJDCXRXGNJBFS-DGCLKSJQSA-N 0 0 339.386 2.611 10 10 EFCERN C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)cc(F)c1[O-] ZINC000850560326 1250538090 /nfs/dbraw/zinc/53/80/90/1250538090.db2.gz DIJDCXRXGNJBFS-WCQYABFASA-N 0 0 339.386 2.611 10 10 EFCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850566897 1250538956 /nfs/dbraw/zinc/53/89/56/1250538956.db2.gz UDUOIKIWPDYKOH-LLVKDONJSA-N 0 0 343.370 2.770 10 10 EFCERN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C ZINC000850573077 1250542470 /nfs/dbraw/zinc/54/24/70/1250542470.db2.gz UAQSJDWHKNGMLF-ZIAGYGMSSA-N 0 0 332.423 2.808 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000850752685 1250593942 /nfs/dbraw/zinc/59/39/42/1250593942.db2.gz RHQCQRWTFDHJFU-OAHLLOKOSA-N 0 0 326.400 2.678 10 10 EFCERN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC[C@H](OC)C3)C2)cc1 ZINC000851099128 1250794861 /nfs/dbraw/zinc/79/48/61/1250794861.db2.gz OFSMIHJTCCGUPV-DAYGRLMNSA-N 0 0 333.428 2.880 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(N)cc3Cl)C2)cc1 ZINC000851640520 1251160340 /nfs/dbraw/zinc/16/03/40/1251160340.db2.gz XDBGPQOJOWZCLC-ZDUSSCGKSA-N 0 0 345.830 2.940 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccccc3N)C2)cc1 ZINC000851640003 1251160572 /nfs/dbraw/zinc/16/05/72/1251160572.db2.gz OVJKBFRKYBRJLV-INIZCTEOSA-N 0 0 339.439 2.605 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)NCc1cc(Br)cs1 ZINC001626025356 1255937190 /nfs/dbraw/zinc/93/71/90/1255937190.db2.gz VKOVRSCXYDNZOY-UHFFFAOYSA-N 0 0 342.214 2.781 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000922523125 1266196377 /nfs/dbraw/zinc/19/63/77/1266196377.db2.gz IENGQLLHJUSGHU-STQMWFEESA-N 0 0 330.856 2.854 10 10 EFCERN Cc1cccc2c1OC[C@@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000922548918 1266227382 /nfs/dbraw/zinc/22/73/82/1266227382.db2.gz NXIVDTJFXYKKJC-ZDUSSCGKSA-N 0 0 330.359 2.643 10 10 EFCERN Cn1ccc(-c2nc(CNCc3ccc4c(c3)CCO4)cs2)n1 ZINC000921648253 1259435173 /nfs/dbraw/zinc/43/51/73/1259435173.db2.gz BGYYBISIIZBKNS-UHFFFAOYSA-N 0 0 326.425 2.768 10 10 EFCERN C[C@@H]1CCn2ncc(C(=O)NCc3c(O)ccc4c3CCCC4)c2C1 ZINC000843830516 1263187706 /nfs/dbraw/zinc/18/77/06/1263187706.db2.gz HIZNCUNVTZDRNI-CYBMUJFWSA-N 0 0 339.439 2.980 10 10 EFCERN CN(CC[NH+]1CCCC1)Cc1cc(Br)cc(F)c1[O-] ZINC000715734945 1263861455 /nfs/dbraw/zinc/86/14/55/1263861455.db2.gz BEDCOLOXTDGTER-UHFFFAOYSA-N 0 0 331.229 2.821 10 10 EFCERN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824653673 1278220320 /nfs/dbraw/zinc/22/03/20/1278220320.db2.gz FELPEDYFUJBDKX-WQVCFCJDSA-N 0 0 325.836 2.716 10 10 EFCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824655807 1278220904 /nfs/dbraw/zinc/22/09/04/1278220904.db2.gz ZXUMBDPXHMSMDL-NVBFEUDRSA-N 0 0 329.799 2.547 10 10 EFCERN Cc1nc([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)no1 ZINC000922051038 1264218920 /nfs/dbraw/zinc/21/89/20/1264218920.db2.gz IFUQZXHLFHEZIF-WFASDCNBSA-N 0 0 343.431 2.704 10 10 EFCERN [NH3+]C[C@H]1CCCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715769028 1264914626 /nfs/dbraw/zinc/91/46/26/1264914626.db2.gz IBRYPHTYXZGVBP-SNVBAGLBSA-N 0 0 331.229 2.855 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cc1F ZINC000824669299 1278239466 /nfs/dbraw/zinc/23/94/66/1278239466.db2.gz IHNMEJIQRUAKPR-IAGOWNOFSA-N 0 0 342.414 2.938 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@H]2COC[C@H]2c2ccccc2)cc1F ZINC000824669300 1278240177 /nfs/dbraw/zinc/24/01/77/1278240177.db2.gz IHNMEJIQRUAKPR-IRXDYDNUSA-N 0 0 342.414 2.938 10 10 EFCERN CN1CCCc2cc(CNC(=O)c3onc4c3CCCC4)ccc21 ZINC000824683107 1278245471 /nfs/dbraw/zinc/24/54/71/1278245471.db2.gz WCBVJVPVDZMAJQ-UHFFFAOYSA-N 0 0 325.412 2.866 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000824689004 1278247064 /nfs/dbraw/zinc/24/70/64/1278247064.db2.gz XWIDFSMEFONART-UHFFFAOYSA-N 0 0 342.399 2.880 10 10 EFCERN COc1c([O-])c(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000824702806 1278254579 /nfs/dbraw/zinc/25/45/79/1278254579.db2.gz QNXDOOYFIUHTGU-KEIZMWOVSA-N 0 0 330.384 2.953 10 10 EFCERN Oc1ccccc1C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613386 1265317393 /nfs/dbraw/zinc/31/73/93/1265317393.db2.gz QOCDSCMJGXXCED-MOPGFXCFSA-N 0 0 349.471 2.693 10 10 EFCERN Oc1ccccc1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613387 1265317679 /nfs/dbraw/zinc/31/76/79/1265317679.db2.gz QOCDSCMJGXXCED-OALUTQOASA-N 0 0 349.471 2.693 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000922695111 1266619673 /nfs/dbraw/zinc/61/96/73/1266619673.db2.gz LWDNAPKEJLYVFS-DGCLKSJQSA-N 0 0 334.294 2.890 10 10 EFCERN CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733923963 1266783709 /nfs/dbraw/zinc/78/37/09/1266783709.db2.gz LIAFTKCCOBYQFU-BLIJAFNYSA-N 0 0 343.471 2.607 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000734069115 1266850493 /nfs/dbraw/zinc/85/04/93/1266850493.db2.gz LZIUQFXADNICLP-INIZCTEOSA-N 0 0 326.396 2.758 10 10 EFCERN Cc1cnc(F)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000888454807 1267058449 /nfs/dbraw/zinc/05/84/49/1267058449.db2.gz DOAZQBLEZUJMRW-CQSZACIVSA-N 0 0 343.402 2.857 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccccc1O ZINC000734687432 1267064763 /nfs/dbraw/zinc/06/47/63/1267064763.db2.gz AMDZRDFNFPZESQ-UHFFFAOYSA-N 0 0 327.428 2.809 10 10 EFCERN C[C@@](O)(C(=O)NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000735856685 1267442901 /nfs/dbraw/zinc/44/29/01/1267442901.db2.gz YDCGPNQQPQXKQH-INIZCTEOSA-N 0 0 339.313 2.935 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(n1)OCCO2 ZINC000825026941 1278385685 /nfs/dbraw/zinc/38/56/85/1278385685.db2.gz QGZZLOFXVCTOFP-UHFFFAOYSA-N 0 0 342.399 2.549 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccc3nc(C)cn3c2)c1O ZINC000738918331 1268599717 /nfs/dbraw/zinc/59/97/17/1268599717.db2.gz AUBBBCSVVQIESJ-UHFFFAOYSA-N 0 0 326.356 2.679 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000825133457 1278423917 /nfs/dbraw/zinc/42/39/17/1278423917.db2.gz FZSCUDDZAKOVGW-OAHLLOKOSA-N 0 0 326.780 2.956 10 10 EFCERN O=C(Nc1c2nonc2ccc1Cl)c1cccn(C2CC2)c1=O ZINC001128607922 1268918006 /nfs/dbraw/zinc/91/80/06/1268918006.db2.gz YENJWNWJCPCNDZ-UHFFFAOYSA-N 0 0 330.731 2.625 10 10 EFCERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O ZINC000825200831 1278459682 /nfs/dbraw/zinc/45/96/82/1278459682.db2.gz GZHPQWMJTGORLI-KBPBESRZSA-N 0 0 329.849 2.506 10 10 EFCERN COc1ccc(CNC(=O)Nc2ccc3c(c2)CCOC3)c(O)c1 ZINC000825228006 1278477599 /nfs/dbraw/zinc/47/75/99/1278477599.db2.gz SGBDRQVENUHFHX-UHFFFAOYSA-N 0 0 328.368 2.795 10 10 EFCERN Cn1cc(/C=C/C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)cn1 ZINC000741954636 1269779350 /nfs/dbraw/zinc/77/93/50/1269779350.db2.gz KJOJRIIDAINAHM-ZHACJKMWSA-N 0 0 341.411 2.808 10 10 EFCERN COC(=O)[C@@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825358054 1278519980 /nfs/dbraw/zinc/51/99/80/1278519980.db2.gz NCTWLFWOVDDTCC-ZDUSSCGKSA-N 0 0 328.412 2.562 10 10 EFCERN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000742391770 1270019979 /nfs/dbraw/zinc/01/99/79/1270019979.db2.gz MEPBVMWEZDPDSZ-YDEJPDAXSA-N 0 0 329.227 2.798 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843831445 1270111476 /nfs/dbraw/zinc/11/14/76/1270111476.db2.gz PXYFAELABFNNCO-QWHCGFSZSA-N 0 0 331.416 2.988 10 10 EFCERN CC(C)(NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000792037381 1278536836 /nfs/dbraw/zinc/53/68/36/1278536836.db2.gz AJQOWDPFZCYEQV-UHFFFAOYSA-N 0 0 345.365 2.505 10 10 EFCERN COc1ccc(N2CCC(NC(=O)[C@@H](OC)C3CCCC3)CC2)cc1 ZINC000825425738 1278548020 /nfs/dbraw/zinc/54/80/20/1278548020.db2.gz JBEHCSHEOKKFDN-IBGZPJMESA-N 0 0 346.471 2.985 10 10 EFCERN CCO[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2O)CCC3)n1 ZINC000743372764 1270554641 /nfs/dbraw/zinc/55/46/41/1270554641.db2.gz UQMZERATVVJIQC-LBPRGKRZSA-N 0 0 331.416 2.993 10 10 EFCERN Cc1cnn(CCOC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 ZINC000792132744 1278573191 /nfs/dbraw/zinc/57/31/91/1278573191.db2.gz GVLCDAVIRMTASG-UHFFFAOYSA-N 0 0 342.424 2.678 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)NCc2noc(C)n2)cc1 ZINC000743640888 1270684060 /nfs/dbraw/zinc/68/40/60/1270684060.db2.gz XKYQXWQNZKXIAO-UHFFFAOYSA-N 0 0 331.420 2.566 10 10 EFCERN COc1ccc(O)c(CNC(=O)C2(CC(=O)OC(C)(C)C)CCC2)c1 ZINC000843833216 1278599985 /nfs/dbraw/zinc/59/99/85/1278599985.db2.gz ZNWLWHOAAOMMNE-UHFFFAOYSA-N 0 0 349.427 2.919 10 10 EFCERN CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000843851840 1278608814 /nfs/dbraw/zinc/60/88/14/1278608814.db2.gz QYILRJRSJUKDSI-OLZOCXBDSA-N 0 0 331.416 2.555 10 10 EFCERN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2cccc(O)c2)c1 ZINC000792181915 1278622124 /nfs/dbraw/zinc/62/21/24/1278622124.db2.gz WFCVTZNUKOUZNE-KRWDZBQOSA-N 0 0 331.368 2.500 10 10 EFCERN Cc1cc(Br)c(O)c(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1 ZINC000792192803 1278633840 /nfs/dbraw/zinc/63/38/40/1278633840.db2.gz QNMRPGOAKOHJHW-QWRGUYRKSA-N 0 0 346.290 2.804 10 10 EFCERN CCN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(OC)cc1 ZINC000746108833 1271790194 /nfs/dbraw/zinc/79/01/94/1271790194.db2.gz FMVMBWFMSWDZKD-MSOLQXFVSA-N 0 0 332.444 2.692 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(C)(C)O)c2C)cc1 ZINC000746337340 1272062934 /nfs/dbraw/zinc/06/29/34/1272062934.db2.gz QFNIIKBWCDYQOK-CQSZACIVSA-N 0 0 330.428 2.992 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000844032439 1278724061 /nfs/dbraw/zinc/72/40/61/1278724061.db2.gz KLYDHVPKXQXSPI-WFEZPHLISA-N 0 0 340.379 2.543 10 10 EFCERN Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000844101935 1278753887 /nfs/dbraw/zinc/75/38/87/1278753887.db2.gz GZRIPIILZCCZQN-OAHLLOKOSA-N 0 0 325.412 2.663 10 10 EFCERN COC(=O)c1cncnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804333678 1273069411 /nfs/dbraw/zinc/06/94/11/1273069411.db2.gz OVZYFGRDZHCBPJ-UHFFFAOYSA-N 0 0 340.427 2.890 10 10 EFCERN Cc1cc(CCNC(=O)c2n[nH]cc2F)c(C)n1-c1ccccc1 ZINC001169942121 1273259800 /nfs/dbraw/zinc/25/98/00/1273259800.db2.gz FGADDYZYELMEEH-UHFFFAOYSA-N 0 0 326.375 2.929 10 10 EFCERN CN(CCC[NH+]1CCCC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211782 1278815431 /nfs/dbraw/zinc/81/54/31/1278815431.db2.gz YZWHSPXTFNGEHJ-VURMDHGXSA-N 0 0 333.388 2.615 10 10 EFCERN Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1cccc(C)c1 ZINC000785774502 1275184272 /nfs/dbraw/zinc/18/42/72/1275184272.db2.gz XVOQKTGOCJNANP-UHFFFAOYSA-N 0 0 327.380 2.775 10 10 EFCERN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000844354842 1278924360 /nfs/dbraw/zinc/92/43/60/1278924360.db2.gz IMSFGTXZCIKXCZ-UHFFFAOYSA-N 0 0 340.470 2.643 10 10 EFCERN CC(C)(C)OCCNC(=O)NCc1cc(Br)ccc1O ZINC000805024905 1280422151 /nfs/dbraw/zinc/42/21/51/1280422151.db2.gz XFIJMBKHTOLRAT-UHFFFAOYSA-N 0 0 345.237 2.769 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccsc3C)CC2)cc1 ZINC000786687935 1275476924 /nfs/dbraw/zinc/47/69/24/1275476924.db2.gz PVQLFWZTILGFQB-UHFFFAOYSA-N 0 0 330.453 2.956 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)COCC(F)F ZINC000786989194 1275611457 /nfs/dbraw/zinc/61/14/57/1275611457.db2.gz QXWYVLZSLBOGLB-UHFFFAOYSA-N 0 0 328.403 2.985 10 10 EFCERN COc1ccc(N2CCC(NC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000787160676 1275696355 /nfs/dbraw/zinc/69/63/55/1275696355.db2.gz YPTSFDXCJAVXSP-PIIMJCKOSA-N 0 0 329.444 2.762 10 10 EFCERN COCC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000787335472 1275748483 /nfs/dbraw/zinc/74/84/83/1275748483.db2.gz RVCKSZQWBDJRHT-ZDUSSCGKSA-N 0 0 344.249 2.700 10 10 EFCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000788529619 1276221833 /nfs/dbraw/zinc/22/18/33/1276221833.db2.gz PDIJTXUFNDQADZ-UHFFFAOYSA-N 0 0 340.807 2.986 10 10 EFCERN C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1O ZINC000788606634 1276238196 /nfs/dbraw/zinc/23/81/96/1276238196.db2.gz BFGHXOZQSFIEIU-GFCCVEGCSA-N 0 0 343.402 2.548 10 10 EFCERN O=C(NCCCSc1nccs1)N1CC[C@@H](O)CC12CCC2 ZINC000817776724 1276296981 /nfs/dbraw/zinc/29/69/81/1276296981.db2.gz MUBIOQMHJJXISZ-GFCCVEGCSA-N 0 0 341.502 2.714 10 10 EFCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922955972 1276401626 /nfs/dbraw/zinc/40/16/26/1276401626.db2.gz WPKZXBQXZDQYQV-LBPRGKRZSA-N 0 0 328.815 2.528 10 10 EFCERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788931890 1276421814 /nfs/dbraw/zinc/42/18/14/1276421814.db2.gz IQHTYFIWNRJUDT-HZPDHXFCSA-N 0 0 343.471 2.550 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000789025010 1276462672 /nfs/dbraw/zinc/46/26/72/1276462672.db2.gz MNXYWSRMUYKJGW-UHFFFAOYSA-N 0 0 345.487 2.803 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1nccs1)C(F)(F)F ZINC000818322471 1276506823 /nfs/dbraw/zinc/50/68/23/1276506823.db2.gz OMWXNHGVYAWXIN-QQHVMHFCSA-N 0 0 344.314 2.987 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCc2ccccc2C1 ZINC000819166073 1276650022 /nfs/dbraw/zinc/65/00/22/1276650022.db2.gz LOFKACPZHISJFG-KRWDZBQOSA-N 0 0 336.391 2.714 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(cn1)OCCO2 ZINC000819186048 1276665411 /nfs/dbraw/zinc/66/54/11/1276665411.db2.gz VSCJLNUXEXGVEI-UHFFFAOYSA-N 0 0 341.411 2.581 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000843832407 1276725109 /nfs/dbraw/zinc/72/51/09/1276725109.db2.gz WWEFTFTVKOVJBK-LLVKDONJSA-N 0 0 337.416 2.946 10 10 EFCERN CN(C[C@H](O)CNc1ccccc1OCCF)C(=O)OC(C)(C)C ZINC000819487358 1276791884 /nfs/dbraw/zinc/79/18/84/1276791884.db2.gz DWKYTPHLJNGDPI-CYBMUJFWSA-N 0 0 342.411 2.675 10 10 EFCERN CC(C)[C@H](F)C(=O)NCc1cc(NC(=O)[C@@H](F)C(C)C)ccc1O ZINC000923121183 1276825560 /nfs/dbraw/zinc/82/55/60/1276825560.db2.gz VTEOILQRYUAXAB-GJZGRUSLSA-N 0 0 342.386 2.935 10 10 EFCERN O=C(/C=C\C1CC1)NCc1cc(NC(=O)/C=C\C2CC2)ccc1O ZINC000923121291 1276827367 /nfs/dbraw/zinc/82/73/67/1276827367.db2.gz XWQIMOLIGREQAN-OZDSWYPASA-N 0 0 326.396 2.879 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C3CCOCC3)C2)cc1 ZINC000819587168 1276829584 /nfs/dbraw/zinc/82/95/84/1276829584.db2.gz XFJYJOLOEILICV-HOTGVXAUSA-N 0 0 346.471 2.700 10 10 EFCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC(C)(C)O3)C2)cc1 ZINC000819587863 1276830694 /nfs/dbraw/zinc/83/06/94/1276830694.db2.gz IGUAMVMWLMACJB-YOEHRIQHSA-N 0 0 332.444 2.595 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cc[nH]n2)ccc1C ZINC001136241695 1276846139 /nfs/dbraw/zinc/84/61/39/1276846139.db2.gz ZFPHXBGINZJNCM-UHFFFAOYSA-N 0 0 336.395 2.868 10 10 EFCERN O=C(NCc1cc(NC(=O)[C@H]2CC23CC3)ccc1O)[C@@H]1CC12CC2 ZINC000923120374 1276855810 /nfs/dbraw/zinc/85/58/10/1276855810.db2.gz VBXFFVGUQAXEOR-UONOGXRCSA-N 0 0 326.396 2.547 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(C)s1 ZINC000819695899 1276876847 /nfs/dbraw/zinc/87/68/47/1276876847.db2.gz DDVICNNLCSHGDU-UHFFFAOYSA-N 0 0 347.436 2.897 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)n1cccc1 ZINC000819696528 1276877630 /nfs/dbraw/zinc/87/76/30/1276877630.db2.gz WKYOYMBHHPEIFN-HNNXBMFYSA-N 0 0 344.411 2.737 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Oc2cnccn2)cc1 ZINC001136260378 1276905600 /nfs/dbraw/zinc/90/56/00/1276905600.db2.gz JZWXZRXDGODOSI-UHFFFAOYSA-N 0 0 337.335 2.861 10 10 EFCERN Cc1cccc(C)c1C(=O)Nc1cccc(N2CCO[C@H](CO)C2)c1 ZINC000585087440 1277110817 /nfs/dbraw/zinc/11/08/17/1277110817.db2.gz IFVHHFFHRAMLCD-SFHVURJKSA-N 0 0 340.423 2.753 10 10 EFCERN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000828149576 1277134118 /nfs/dbraw/zinc/13/41/18/1277134118.db2.gz KSJMTFSLPRSUHB-SFHVURJKSA-N 0 0 330.472 2.948 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCS[C@@H](C)C3)C2)cc1 ZINC000923184087 1277156670 /nfs/dbraw/zinc/15/66/70/1277156670.db2.gz ABEAPCNMWKCJHP-KKUMJFAQSA-N 0 0 349.500 2.857 10 10 EFCERN O=c1cc(NCc2ccc(N3CCOCC3)cc2)c2ncccc2[nH]1 ZINC000820633619 1277257014 /nfs/dbraw/zinc/25/70/14/1277257014.db2.gz GBCCSHOHFHSJDI-UHFFFAOYSA-N 0 0 336.395 2.784 10 10 EFCERN Cc1cc(CC(=O)N2CCc3n[nH]cc3C2)c(C)n1-c1ccccc1 ZINC000820863515 1277336736 /nfs/dbraw/zinc/33/67/36/1277336736.db2.gz VSDSWEUVLLZEDW-UHFFFAOYSA-N 0 0 334.423 2.945 10 10 EFCERN COc1cc(C)cc(CN2CCO[C@H](COc3ccccc3)C2)c1O ZINC000790467293 1277609148 /nfs/dbraw/zinc/60/91/48/1277609148.db2.gz NYLIYPBBTZCIII-SFHVURJKSA-N 0 0 343.423 2.989 10 10 EFCERN Cn1ccnc1C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790809444 1277760326 /nfs/dbraw/zinc/76/03/26/1277760326.db2.gz VYKCPBFOAUBVGX-HNNXBMFYSA-N 0 0 337.379 2.545 10 10 EFCERN COc1ccc(/C=C/C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC001175037076 1287300423 /nfs/dbraw/zinc/30/04/23/1287300423.db2.gz BSQDQQDWEMHWJS-VQHVLOKHSA-N 0 0 325.364 2.965 10 10 EFCERN O=C(c1cccc(O)c1O)N1CC(c2nc3ccccc3s2)C1 ZINC000790878530 1277821854 /nfs/dbraw/zinc/82/18/54/1277821854.db2.gz SZBCADWVTUAXBI-UHFFFAOYSA-N 0 0 326.377 2.947 10 10 EFCERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000790886190 1277827896 /nfs/dbraw/zinc/82/78/96/1277827896.db2.gz GQLWEBOTTTVKLZ-GFCCVEGCSA-N 0 0 335.400 2.682 10 10 EFCERN CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815114573 1287310624 /nfs/dbraw/zinc/31/06/24/1287310624.db2.gz PNEXAKDSQNEYHZ-ATZDWAIDSA-N 0 0 346.471 2.906 10 10 EFCERN CC(C)Oc1ccc(NC(=O)NCc2cc(Cl)ccc2O)nn1 ZINC000844637386 1279134879 /nfs/dbraw/zinc/13/48/79/1279134879.db2.gz BBJNRQFPLNTQAD-UHFFFAOYSA-N 0 0 336.779 2.945 10 10 EFCERN COc1ncc(/C=C/C(=O)N(CC(C)C)c2ccc(F)cn2)cn1 ZINC000844642544 1279163035 /nfs/dbraw/zinc/16/30/35/1279163035.db2.gz XQJVFCBEOXWIGM-QPJJXVBHSA-N 0 0 330.363 2.722 10 10 EFCERN CCN1C(=O)/C(=C\c2cnnn2Cc2ccccc2)SC1=S ZINC000792855014 1279195930 /nfs/dbraw/zinc/19/59/30/1279195930.db2.gz MCZMXTXXPATGKM-MDWZMJQESA-N 0 0 330.438 2.548 10 10 EFCERN COc1cccc(CNC(=O)Nc2cc3c([nH]c2=O)CCCC3)c1O ZINC000844725487 1279201591 /nfs/dbraw/zinc/20/15/91/1279201591.db2.gz NLVACGSLVJGDBF-UHFFFAOYSA-N 0 0 343.383 2.702 10 10 EFCERN COc1ccc(O)c(CNC(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000844725223 1279202068 /nfs/dbraw/zinc/20/20/68/1279202068.db2.gz IOIQZFQCUFVGOL-UHFFFAOYSA-N 0 0 343.383 2.702 10 10 EFCERN COCc1ccnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000844836904 1279263045 /nfs/dbraw/zinc/26/30/45/1279263045.db2.gz AYTFJTSSUHOBHE-UHFFFAOYSA-N 0 0 338.411 2.926 10 10 EFCERN COC[C@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000792970885 1279291407 /nfs/dbraw/zinc/29/14/07/1279291407.db2.gz MIVIEIUCRUUVRE-INIZCTEOSA-N 0 0 330.384 2.588 10 10 EFCERN COc1ccc(CNC(=O)NCc2nc3cc(C)ccc3[nH]2)c(O)c1 ZINC000792969478 1279311731 /nfs/dbraw/zinc/31/17/31/1279311731.db2.gz CLDNQHSVZFAYED-UHFFFAOYSA-N 0 0 340.383 2.585 10 10 EFCERN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC000844887504 1279316986 /nfs/dbraw/zinc/31/69/86/1279316986.db2.gz HQDWEQNHHXASIS-SFHVURJKSA-N 0 0 331.460 2.997 10 10 EFCERN COc1ccc(CNC(=O)NCc2ccn(C3CCCC3)n2)c(O)c1 ZINC000793013626 1279327920 /nfs/dbraw/zinc/32/79/20/1279327920.db2.gz WYLKEMYSKLDKIZ-UHFFFAOYSA-N 0 0 344.415 2.712 10 10 EFCERN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000844938516 1279353588 /nfs/dbraw/zinc/35/35/88/1279353588.db2.gz VHGFEHZNZABMHL-AWEZNQCLSA-N 0 0 335.404 2.880 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC12CCCC2 ZINC000844910657 1279359260 /nfs/dbraw/zinc/35/92/60/1279359260.db2.gz QHWAXDDEUOXVAF-UHFFFAOYSA-N 0 0 329.444 2.751 10 10 EFCERN CCN(C(=O)NCCCSc1nccs1)[C@H]1CCCOC1 ZINC000845046628 1279412492 /nfs/dbraw/zinc/41/24/92/1279412492.db2.gz PXWIJEFZLKOANP-LBPRGKRZSA-N 0 0 329.491 2.836 10 10 EFCERN O=C(NCCC(F)(F)F)NCc1cc(Br)ccc1O ZINC000805163514 1279434659 /nfs/dbraw/zinc/43/46/59/1279434659.db2.gz UBJGKIDARFTKSH-UHFFFAOYSA-N 0 0 341.127 2.906 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000845426096 1279618879 /nfs/dbraw/zinc/61/88/79/1279618879.db2.gz NMCVFYKTEXIWEI-XIKOKIGWSA-N 0 0 348.443 2.966 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000845662559 1279772565 /nfs/dbraw/zinc/77/25/65/1279772565.db2.gz WZURCXDDYPWZQZ-JDQXGDOCSA-N 0 0 334.372 2.785 10 10 EFCERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000845662560 1279772706 /nfs/dbraw/zinc/77/27/06/1279772706.db2.gz WZURCXDDYPWZQZ-PIEIZJNZSA-N 0 0 334.372 2.785 10 10 EFCERN COC(=O)c1nc(N(C)CCN(C)c2ccc(OC)cc2)sc1C ZINC000845668813 1279779558 /nfs/dbraw/zinc/77/95/58/1279779558.db2.gz DSNNWASDOOXZMZ-UHFFFAOYSA-N 0 0 349.456 2.819 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)Cc1cn2c(n1)CCCC2 ZINC000845790346 1279848433 /nfs/dbraw/zinc/84/84/33/1279848433.db2.gz CPWJCXGJAPNYHL-UHFFFAOYSA-N 0 0 327.428 2.906 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845835206 1279884973 /nfs/dbraw/zinc/88/49/73/1279884973.db2.gz XDVYACFQHXDVAH-LSDHHAIUSA-N 0 0 329.421 2.861 10 10 EFCERN C[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000845955683 1279933787 /nfs/dbraw/zinc/93/37/87/1279933787.db2.gz CANTYBAGCKDTDU-CQSZACIVSA-N 0 0 326.444 2.705 10 10 EFCERN CCc1ccncc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845926398 1279937571 /nfs/dbraw/zinc/93/75/71/1279937571.db2.gz ZEYXDOZWXUKYQA-ZDUSSCGKSA-N 0 0 340.427 2.526 10 10 EFCERN O=S(=O)(C[C@H]1CCCC1(F)F)NCc1cc(Cl)ccc1O ZINC000845995813 1279988102 /nfs/dbraw/zinc/98/81/02/1279988102.db2.gz HGASMXLSUVQQEC-SNVBAGLBSA-N 0 0 339.791 2.900 10 10 EFCERN O=S(=O)(CCCC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000845996851 1279989132 /nfs/dbraw/zinc/98/91/32/1279989132.db2.gz VIHSFAXHSKPYHB-UHFFFAOYSA-N 0 0 347.864 2.672 10 10 EFCERN COc1c([O-])c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045292 1279998934 /nfs/dbraw/zinc/99/89/34/1279998934.db2.gz STVAIDKFMQGRPT-KZULUSFZSA-N 0 0 346.383 2.695 10 10 EFCERN COCCNC(=O)c1cccc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846170490 1280046329 /nfs/dbraw/zinc/04/63/29/1280046329.db2.gz LKKWSEPZYGBERK-ZDUSSCGKSA-N 0 0 344.411 2.950 10 10 EFCERN C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846180571 1280060389 /nfs/dbraw/zinc/06/03/89/1280060389.db2.gz VIHYVPAAHWREHV-ORAYPTAESA-N 0 0 342.395 2.828 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CNc3ccccc3C2)c1 ZINC000846193957 1280066127 /nfs/dbraw/zinc/06/61/27/1280066127.db2.gz HTOZZCSKGWFZGV-TZMCWYRMSA-N 0 0 341.411 2.798 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1cccs1)cc2=O ZINC000846229979 1280077537 /nfs/dbraw/zinc/07/75/37/1280077537.db2.gz CCJPMWYFWNYSRU-GFCCVEGCSA-N 0 0 344.396 2.532 10 10 EFCERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1C1CCCCC1)cc2=O ZINC000846237201 1280082337 /nfs/dbraw/zinc/08/23/37/1280082337.db2.gz BNXFQYGGJFSHNF-HNNXBMFYSA-N 0 0 344.415 2.678 10 10 EFCERN O=C(c1cccc(O)c1O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846359148 1280132496 /nfs/dbraw/zinc/13/24/96/1280132496.db2.gz QONNMGHWBDSYRY-GOSISDBHSA-N 0 0 347.798 2.875 10 10 EFCERN CC(C)(C)OC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000846432629 1280150258 /nfs/dbraw/zinc/15/02/58/1280150258.db2.gz FVLMOYMSSAQQLN-SOFGYWHQSA-N 0 0 347.411 2.882 10 10 EFCERN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2C)c(O)c1 ZINC000794378810 1280161175 /nfs/dbraw/zinc/16/11/75/1280161175.db2.gz FSFQMLWGOCARPP-UHFFFAOYSA-N 0 0 331.368 2.656 10 10 EFCERN COC(=O)[C@@H](CCF)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000846431189 1280165295 /nfs/dbraw/zinc/16/52/95/1280165295.db2.gz IRVOCXKBTAMCFC-GFCCVEGCSA-N 0 0 338.404 2.787 10 10 EFCERN COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(OC)c(C)c1OC ZINC000794392451 1280168768 /nfs/dbraw/zinc/16/87/68/1280168768.db2.gz FLUVLJIDZHRUAG-UHFFFAOYSA-N 0 0 347.367 2.993 10 10 EFCERN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846455915 1280174517 /nfs/dbraw/zinc/17/45/17/1280174517.db2.gz HEKGELYJMHPHPV-VQHVLOKHSA-N 0 0 347.411 2.691 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](O)CC(C)(C)C)cc1 ZINC000846441843 1280179879 /nfs/dbraw/zinc/17/98/79/1280179879.db2.gz DNHYFCDGMMERIW-MRXNPFEDSA-N 0 0 336.476 2.777 10 10 EFCERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1cc(Cl)ccc1O ZINC000846476740 1280192598 /nfs/dbraw/zinc/19/25/98/1280192598.db2.gz PPGXYLKSFUNHGY-CYBMUJFWSA-N 0 0 341.839 2.540 10 10 EFCERN O=C(c1c(F)ccc(O)c1O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000846660605 1280373789 /nfs/dbraw/zinc/37/37/89/1280373789.db2.gz XEGPBIGZSUFILA-UHFFFAOYSA-N 0 0 337.244 2.744 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(F)(F)CN ZINC000846662375 1280404071 /nfs/dbraw/zinc/40/40/71/1280404071.db2.gz OZAUOWJXWTUGQG-UHFFFAOYSA-N 0 0 325.403 2.619 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)CO[C@@H](C)c2nccn2C)cc1 ZINC000805166910 1280467182 /nfs/dbraw/zinc/46/71/82/1280467182.db2.gz SXHSBZPQTLAHIK-HNNXBMFYSA-N 0 0 344.459 2.660 10 10 EFCERN Cc1cc(C(=O)NCc2cnn(C)n2)c(C)n1-c1cccc(Cl)c1 ZINC000805210733 1280490305 /nfs/dbraw/zinc/49/03/05/1280490305.db2.gz NVGDLEGEKKBMIQ-UHFFFAOYSA-N 0 0 343.818 2.806 10 10 EFCERN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C/c3cncc(O)c3)ccc12 ZINC000805355391 1280526006 /nfs/dbraw/zinc/52/60/06/1280526006.db2.gz ROTOUAGLNWEGBU-ZZXKWVIFSA-N 0 0 336.347 2.878 10 10 EFCERN CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1[O-] ZINC000872120100 1287435202 /nfs/dbraw/zinc/43/52/02/1287435202.db2.gz YWUHQZMISLEOTM-UJMBOELQSA-N 0 0 341.448 2.928 10 10 EFCERN C[C@@H]1CSC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805792132 1280771696 /nfs/dbraw/zinc/77/16/96/1280771696.db2.gz QABSFTZSMXSYBE-LDYMZIIASA-N 0 0 345.262 2.705 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001146195337 1280829491 /nfs/dbraw/zinc/82/94/91/1280829491.db2.gz ABPNIFKFSNWHDR-UHFFFAOYSA-N 0 0 325.368 2.838 10 10 EFCERN CC[C@@H]([NH2+]CCc1nnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142883 1280988433 /nfs/dbraw/zinc/98/84/33/1280988433.db2.gz HLCJKANDFRXQLN-LLVKDONJSA-N 0 0 330.219 2.506 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@@H](C)c1nccn1C ZINC000806348122 1281044694 /nfs/dbraw/zinc/04/46/94/1281044694.db2.gz WIQXOPZFXDUMTJ-HNNXBMFYSA-N 0 0 344.459 2.612 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)CO[C@H](C)c1nccn1C ZINC000806736228 1281137547 /nfs/dbraw/zinc/13/75/47/1281137547.db2.gz PQADEAZXQYEGFG-CQSZACIVSA-N 0 0 331.416 2.642 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1CC(F)F ZINC000806819456 1281157356 /nfs/dbraw/zinc/15/73/56/1281157356.db2.gz DBOZMNWQUUQICQ-OAHLLOKOSA-N 0 0 341.402 2.627 10 10 EFCERN C[C@](O)(C[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000872211134 1287478963 /nfs/dbraw/zinc/47/89/63/1287478963.db2.gz YANPQBGCZXMWOJ-UWVAXJGDSA-N 0 0 349.471 2.958 10 10 EFCERN Cn1cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC001147696176 1281238195 /nfs/dbraw/zinc/23/81/95/1281238195.db2.gz UOUXSLUWDQOHFI-CLFYSBASSA-N 0 0 336.391 2.962 10 10 EFCERN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(C)c(O)c3O)ccc12 ZINC001147879108 1281339572 /nfs/dbraw/zinc/33/95/72/1281339572.db2.gz IHTGYQPBHSCSBI-UHFFFAOYSA-N 0 0 340.335 2.926 10 10 EFCERN COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000807842410 1281436428 /nfs/dbraw/zinc/43/64/28/1281436428.db2.gz JVVYWPPQPUBEAU-KRWDZBQOSA-N 0 0 346.402 2.952 10 10 EFCERN CCOC1CC(N(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000808086543 1281531478 /nfs/dbraw/zinc/53/14/78/1281531478.db2.gz BVXMHNWRUIMIOG-VURMDHGXSA-N 0 0 334.372 2.785 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1NC(=O)OC ZINC000808095444 1281535109 /nfs/dbraw/zinc/53/51/09/1281535109.db2.gz FNLRIJOSWCSRGJ-UHFFFAOYSA-N 0 0 349.383 2.986 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000808495869 1281737398 /nfs/dbraw/zinc/73/73/98/1281737398.db2.gz ZWJLCGPIBOSEIA-UHFFFAOYSA-N 0 0 339.347 2.562 10 10 EFCERN CCCOc1nc2ccccc2cc1C=CC(=O)OCC(=O)C(C)=O ZINC000808494533 1281737605 /nfs/dbraw/zinc/73/76/05/1281737605.db2.gz OWMFOVPCUAVKIL-HJWRWDBZSA-N 0 0 341.363 2.738 10 10 EFCERN CC(=O)C(=O)COC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000808495773 1281737815 /nfs/dbraw/zinc/73/78/15/1281737815.db2.gz QQSPFFVMLQQGMK-UHFFFAOYSA-N 0 0 348.786 2.517 10 10 EFCERN CCCn1c(C)c(C(=O)OCC(=O)C(C)=O)c2cc(OC)ccc21 ZINC000808499089 1281738264 /nfs/dbraw/zinc/73/82/64/1281738264.db2.gz JJCDAPNHKOYXFE-UHFFFAOYSA-N 0 0 331.368 2.683 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000808505148 1281743485 /nfs/dbraw/zinc/74/34/85/1281743485.db2.gz UAZHRJHBLLYYGV-UHFFFAOYSA-N 0 0 343.291 2.702 10 10 EFCERN CC(=O)C(=O)COC(=O)CCSc1ccccc1Br ZINC000808504533 1281743795 /nfs/dbraw/zinc/74/37/95/1281743795.db2.gz GKAWFJWTVJVBKF-UHFFFAOYSA-N 0 0 345.214 2.633 10 10 EFCERN CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC000808513791 1281748369 /nfs/dbraw/zinc/74/83/69/1281748369.db2.gz LWZWIEKDBUHEJF-HNNXBMFYSA-N 0 0 340.375 2.746 10 10 EFCERN CC(=O)C(=O)COC(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC000808517412 1281748954 /nfs/dbraw/zinc/74/89/54/1281748954.db2.gz APMVLJUUSPZZMP-UHFFFAOYSA-N 0 0 340.375 2.818 10 10 EFCERN CC(=O)C(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC000808514653 1281749351 /nfs/dbraw/zinc/74/93/51/1281749351.db2.gz NLJSMWLXUWMLMR-GFCCVEGCSA-N 0 0 341.363 2.546 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000808530500 1281755558 /nfs/dbraw/zinc/75/55/58/1281755558.db2.gz XXMPZBLKHRACTF-UHFFFAOYSA-N 0 0 341.294 2.949 10 10 EFCERN CC(=O)C(=O)COC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000808529086 1281755569 /nfs/dbraw/zinc/75/55/69/1281755569.db2.gz DGROLXVIZCHCDR-VIFPVBQESA-N 0 0 327.174 2.644 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000808531283 1281762874 /nfs/dbraw/zinc/76/28/74/1281762874.db2.gz NJBDSCQACUUCKE-UHFFFAOYSA-N 0 0 345.376 2.624 10 10 EFCERN CC(=O)C(=O)COC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000808539859 1281769240 /nfs/dbraw/zinc/76/92/40/1281769240.db2.gz JCVMRXCQDQITNR-UHFFFAOYSA-N 0 0 339.141 2.819 10 10 EFCERN CC(=O)C(=O)COC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC000808544893 1281772803 /nfs/dbraw/zinc/77/28/03/1281772803.db2.gz XJXLIZFLSLJPOJ-UHFFFAOYSA-N 0 0 349.770 2.641 10 10 EFCERN CC(=O)C(=O)COC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000808548265 1281774480 /nfs/dbraw/zinc/77/44/80/1281774480.db2.gz CVFINWTVICUFOH-UHFFFAOYSA-N 0 0 333.565 2.726 10 10 EFCERN O=C(NCc1cccc2c1CCOC2)NCc1c(O)cccc1F ZINC000923635556 1287536304 /nfs/dbraw/zinc/53/63/04/1287536304.db2.gz URGUNPQZBRROLV-UHFFFAOYSA-N 0 0 330.359 2.603 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CC(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000809338353 1282155547 /nfs/dbraw/zinc/15/55/47/1282155547.db2.gz FSNUHNWQBYYPBQ-HYXAFXHYSA-N 0 0 330.262 2.780 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)CC2Cc3ccccc3C2)cc1 ZINC000809806241 1282473253 /nfs/dbraw/zinc/47/32/53/1282473253.db2.gz HQZOGQLFQOYWGR-UHFFFAOYSA-N 0 0 344.480 2.587 10 10 EFCERN CCN(CC)c1ccc(CN(C)S(=O)(=O)CC(C)(C)OC)cc1 ZINC000809808057 1282473298 /nfs/dbraw/zinc/47/32/98/1282473298.db2.gz XUVUGEUTGBMIEK-UHFFFAOYSA-N 0 0 342.505 2.719 10 10 EFCERN CN(Cc1ccccc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000809864815 1282537697 /nfs/dbraw/zinc/53/76/97/1282537697.db2.gz QBAQDCAZHMCVOR-UHFFFAOYSA-N 0 0 339.355 2.732 10 10 EFCERN CCOC(=O)c1c(C)onc1CN(C)c1ccc(OC)cc1OC ZINC000809965257 1282656587 /nfs/dbraw/zinc/65/65/87/1282656587.db2.gz BUIIVMXSKQBLPE-UHFFFAOYSA-N 0 0 334.372 2.813 10 10 EFCERN CCOC(=O)c1c(C)onc1CN[C@H](C)c1cc(OC)ccc1O ZINC000809971846 1282663834 /nfs/dbraw/zinc/66/38/34/1282663834.db2.gz MFFQUZKDUYNPNR-SNVBAGLBSA-N 0 0 334.372 2.725 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1n1cccn1 ZINC000815660944 1287658132 /nfs/dbraw/zinc/65/81/32/1287658132.db2.gz OLULRCBOMIYAIN-WPUCRFQZSA-N 0 0 346.387 2.566 10 10 EFCERN O=C(COC(=O)c1ccoc1C(F)(F)F)c1ccc(O)c(O)c1 ZINC000811442557 1284318412 /nfs/dbraw/zinc/31/84/12/1284318412.db2.gz MGXAWLJKDJNUGU-UHFFFAOYSA-N 0 0 330.214 2.749 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccccc2O)c1 ZINC000811457355 1284332393 /nfs/dbraw/zinc/33/23/93/1284332393.db2.gz KWXPHMJPFJMIEY-UHFFFAOYSA-N 0 0 330.340 2.719 10 10 EFCERN CC(C)OCc1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)ccc1O ZINC000811702928 1284515009 /nfs/dbraw/zinc/51/50/09/1284515009.db2.gz HTLUXAIYSAGIMT-CYBMUJFWSA-N 0 0 342.461 2.706 10 10 EFCERN Nc1cc(NCc2c(O)ccc3c2CCCC3)cc(CO)c1[N+](=O)[O-] ZINC000811808490 1284639932 /nfs/dbraw/zinc/63/99/32/1284639932.db2.gz LBUZKLTXDUHXHJ-UHFFFAOYSA-N 0 0 343.383 2.866 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@@](C)(CO)C(C)C)cc1F ZINC000812036541 1284828247 /nfs/dbraw/zinc/82/82/47/1284828247.db2.gz IUYOTUNFXVZZPQ-SFHVURJKSA-N 0 0 339.455 2.878 10 10 EFCERN COC[C@@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000812574091 1285232371 /nfs/dbraw/zinc/23/23/71/1285232371.db2.gz CJNIBSGOJORRSS-ZJUUUORDSA-N 0 0 330.222 2.690 10 10 EFCERN C[C@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000812551580 1285241222 /nfs/dbraw/zinc/24/12/22/1285241222.db2.gz YFFZVQLZYROZFE-WFASDCNBSA-N 0 0 343.393 2.957 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000747828358 1285498176 /nfs/dbraw/zinc/49/81/76/1285498176.db2.gz UFIWWEQNVPMXSJ-SJORKVTESA-N 0 0 331.460 2.711 10 10 EFCERN C[C@@H](NC(=O)N1CC(C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000813046678 1285633939 /nfs/dbraw/zinc/63/39/39/1285633939.db2.gz ILLMFBRFLVRZNW-CQSZACIVSA-N 0 0 329.444 2.636 10 10 EFCERN COc1ccc(N(C)CC(=O)N(C)CCOc2ccccc2F)cc1 ZINC001171745934 1285760856 /nfs/dbraw/zinc/76/08/56/1285760856.db2.gz JDQWQEORLFMEDK-UHFFFAOYSA-N 0 0 346.402 2.808 10 10 EFCERN CN(C)c1ccc(CN(C)C(=O)C[C@H](O)Cc2ccccc2)cc1 ZINC000813386088 1285850351 /nfs/dbraw/zinc/85/03/51/1285850351.db2.gz FYOSSEQZYQPMFH-LJQANCHMSA-N 0 0 326.440 2.705 10 10 EFCERN O=C(C[C@@H](O)Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000813410665 1285894185 /nfs/dbraw/zinc/89/41/85/1285894185.db2.gz VXEPPYMESURLMO-FQEVSTJZSA-N 0 0 338.451 2.897 10 10 EFCERN CN(C)c1ccc(CNC(=O)C[C@@H](O)Cc2ccccc2)cc1F ZINC000813430771 1285904669 /nfs/dbraw/zinc/90/46/69/1285904669.db2.gz VPBBUWRJLYRFNK-INIZCTEOSA-N 0 0 330.403 2.502 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000813433300 1285906219 /nfs/dbraw/zinc/90/62/19/1285906219.db2.gz JKFYEWMFPRBUPO-QGZVFWFLSA-N 0 0 348.487 2.967 10 10 EFCERN COc1ccc(N2CCC(NC(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000813433299 1285906536 /nfs/dbraw/zinc/90/65/36/1285906536.db2.gz JKFYEWMFPRBUPO-KRWDZBQOSA-N 0 0 348.487 2.967 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001136603532 1289041389 /nfs/dbraw/zinc/04/13/89/1289041389.db2.gz BXSICNZHWXMMMG-AWEZNQCLSA-N 0 0 341.363 2.733 10 10 EFCERN Cc1ncc(/C=C\C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)s1 ZINC001133817725 1285993811 /nfs/dbraw/zinc/99/38/11/1285993811.db2.gz KPLMQVHVIQHCSC-IHWYPQMZSA-N 0 0 335.335 2.728 10 10 EFCERN COC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000813605861 1286020135 /nfs/dbraw/zinc/02/01/35/1286020135.db2.gz WJMKQZSNYQCAHM-UHFFFAOYSA-N 0 0 337.173 2.948 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)NCC1CC(F)(F)C1 ZINC000813771149 1286110334 /nfs/dbraw/zinc/11/03/34/1286110334.db2.gz QDTDZMLQORNIKP-UHFFFAOYSA-N 0 0 349.175 2.999 10 10 EFCERN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)cc3C(F)(F)F)C[C@@H]21 ZINC000814173110 1286354785 /nfs/dbraw/zinc/35/47/85/1286354785.db2.gz GDWMDNUWBLHCGM-NHAGDIPZSA-N 0 0 342.361 2.622 10 10 EFCERN CN(Cc1ccc(N2CCCCC2)cc1)c1nc(C(N)=O)cs1 ZINC000814359070 1286537526 /nfs/dbraw/zinc/53/75/26/1286537526.db2.gz XUWWIZICQNDEGF-UHFFFAOYSA-N 0 0 330.457 2.869 10 10 EFCERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000871479240 1287103150 /nfs/dbraw/zinc/10/31/50/1287103150.db2.gz ZXXUTVQJYCVFEL-JKEYDSJLSA-N 0 0 333.384 2.515 10 10 EFCERN COc1nn(C)cc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001134762469 1287158939 /nfs/dbraw/zinc/15/89/39/1287158939.db2.gz KXSKHQGCPQDCDB-UHFFFAOYSA-N 0 0 338.411 2.766 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(Oc2ccncc2)C1 ZINC001136641086 1289134220 /nfs/dbraw/zinc/13/42/20/1289134220.db2.gz VGWXVFNATNYCTE-UHFFFAOYSA-N 0 0 342.376 2.611 10 10 EFCERN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000822898813 1289147494 /nfs/dbraw/zinc/14/74/94/1289147494.db2.gz SYRZICAHIVTYBA-SJLPKXTDSA-N 0 0 334.460 2.541 10 10 EFCERN C/C=C/COc1cccc(CC(=O)NCc2cccc(O)c2O)c1 ZINC001176566277 1288042613 /nfs/dbraw/zinc/04/26/13/1288042613.db2.gz TVPHAFWQUSEDNU-NSCUHMNNSA-N 0 0 327.380 2.912 10 10 EFCERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cccc(O)c2O)c1F ZINC001176576432 1288045349 /nfs/dbraw/zinc/04/53/49/1288045349.db2.gz MESNEXZIRQGJHF-UHFFFAOYSA-N 0 0 338.266 2.523 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC001135495737 1288051767 /nfs/dbraw/zinc/05/17/67/1288051767.db2.gz RTWKPVOQKQYUMP-UHFFFAOYSA-N 0 0 337.383 2.811 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(OC(F)(F)F)c1 ZINC001176747788 1288094224 /nfs/dbraw/zinc/09/42/24/1288094224.db2.gz ANBGPEYZJHBALN-UHFFFAOYSA-N 0 0 327.258 2.926 10 10 EFCERN CC(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816534538 1288194919 /nfs/dbraw/zinc/19/49/19/1288194919.db2.gz MKJQPAKLSUQLLC-UHFFFAOYSA-N 0 0 328.815 2.921 10 10 EFCERN C[C@@H](NCc1cc(F)ccc1O)c1ncc(Br)cn1 ZINC000816627388 1288216045 /nfs/dbraw/zinc/21/60/45/1288216045.db2.gz MTSHZMVXFWFWPF-MRVPVSSYSA-N 0 0 326.169 2.935 10 10 EFCERN COc1c(O)c(CN2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667386 1288235506 /nfs/dbraw/zinc/23/55/06/1288235506.db2.gz LTANBGYIZJGITC-CQSZACIVSA-N 0 0 336.388 2.700 10 10 EFCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]1n1cccn1 ZINC000816671879 1288238843 /nfs/dbraw/zinc/23/88/43/1288238843.db2.gz JVBBDXZMGHQGEB-RRFJBIMHSA-N 0 0 339.798 2.890 10 10 EFCERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000816921781 1288313560 /nfs/dbraw/zinc/31/35/60/1288313560.db2.gz GVXJDUMPYYWPFL-UHFFFAOYSA-N 0 0 342.439 2.856 10 10 EFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(F)(c2ccccc2F)C1 ZINC000816943386 1288350680 /nfs/dbraw/zinc/35/06/80/1288350680.db2.gz XEKNHDXVVDSYDM-SOFGYWHQSA-N 0 0 331.318 2.957 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](O)CC12CCC2 ZINC000817154856 1288444583 /nfs/dbraw/zinc/44/45/83/1288444583.db2.gz PQQXNZBEFMSUKM-GOSISDBHSA-N 0 0 343.471 2.876 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001177745786 1288531721 /nfs/dbraw/zinc/53/17/21/1288531721.db2.gz XULXHAYBBAENSZ-YVOPTCOOSA-N 0 0 329.327 2.699 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000817409467 1288589665 /nfs/dbraw/zinc/58/96/65/1288589665.db2.gz CMJHPPXFVHHCJR-GFCCVEGCSA-N 0 0 338.429 2.932 10 10 EFCERN CCC(C)(C)OCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852379428 1299682893 /nfs/dbraw/zinc/68/28/93/1299682893.db2.gz PRSIKABFDAHXLW-HNNXBMFYSA-N 0 0 349.475 2.778 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413349 1288781183 /nfs/dbraw/zinc/78/11/83/1288781183.db2.gz QXDOJLMVCLDRLS-OLZOCXBDSA-N 0 0 330.315 2.859 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000821806844 1288801328 /nfs/dbraw/zinc/80/13/28/1288801328.db2.gz IDBXAFTWMVEFHD-MRVWCRGKSA-N 0 0 349.427 2.513 10 10 EFCERN CON1CCC(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000821844128 1288808640 /nfs/dbraw/zinc/80/86/40/1288808640.db2.gz YUXQVADIDCEYRO-UHFFFAOYSA-N 0 0 331.460 2.567 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCOC[C@@H]2OC)cc1 ZINC000822269149 1288922830 /nfs/dbraw/zinc/92/28/30/1288922830.db2.gz LTGXMJDEKMZMTE-MJGOQNOKSA-N 0 0 348.487 2.933 10 10 EFCERN COCc1c2ccccc2oc1C(=O)NCc1c(O)cccc1O ZINC001178905111 1288976543 /nfs/dbraw/zinc/97/65/43/1288976543.db2.gz HWMMLJWBTWEIGV-UHFFFAOYSA-N 0 0 327.336 2.920 10 10 EFCERN COc1cnc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000823234064 1289236468 /nfs/dbraw/zinc/23/64/68/1289236468.db2.gz LYOLDYBMECLGLP-NSHDSACASA-N 0 0 348.428 2.561 10 10 EFCERN CC1CCN(c2ccc(CNC(=O)c3ccn4nccc4n3)cc2)CC1 ZINC001136705463 1289268979 /nfs/dbraw/zinc/26/89/79/1289268979.db2.gz NCYGVTGPNMTPAG-UHFFFAOYSA-N 0 0 349.438 2.896 10 10 EFCERN Cc1cc(CC(=O)NCCCC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000823488411 1289317608 /nfs/dbraw/zinc/31/76/08/1289317608.db2.gz ZTMDUKAMCBEGNW-UHFFFAOYSA-N 0 0 341.455 2.621 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CSC3(C)C)C2)cc1 ZINC000823584349 1289338196 /nfs/dbraw/zinc/33/81/96/1289338196.db2.gz DZGJTWPKJONQKU-CZUORRHYSA-N 0 0 349.500 2.715 10 10 EFCERN Cc1cc(C(=O)NCc2ccc(CCO)cc2)c(C)n1-c1ccccn1 ZINC001180193726 1289455097 /nfs/dbraw/zinc/45/50/97/1289455097.db2.gz UCVMLEVRJLCCQK-UHFFFAOYSA-N 0 0 349.434 2.954 10 10 EFCERN CO[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823834993 1289464095 /nfs/dbraw/zinc/46/40/95/1289464095.db2.gz SISASRYVEQGNBQ-DNVCBOLYSA-N 0 0 346.471 2.906 10 10 EFCERN COc1cc(CN2C[C@@H](O)CC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000825658482 1289589228 /nfs/dbraw/zinc/58/92/28/1289589228.db2.gz PFTIYEMUNCNYKX-LBPRGKRZSA-N 0 0 329.387 2.900 10 10 EFCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCc2nc[nH]c2C1 ZINC000824262566 1289593478 /nfs/dbraw/zinc/59/34/78/1289593478.db2.gz YXMQRXFHPHIHHQ-INIZCTEOSA-N 0 0 338.455 2.821 10 10 EFCERN O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824451403 1289655427 /nfs/dbraw/zinc/65/54/27/1289655427.db2.gz VITQBXSUMWKPOC-SNVBAGLBSA-N 0 0 345.226 2.973 10 10 EFCERN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N(C)C)nn1 ZINC000824528956 1289682871 /nfs/dbraw/zinc/68/28/71/1289682871.db2.gz DSZKRGAJBWWONU-CYBMUJFWSA-N 0 0 342.447 2.800 10 10 EFCERN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N(C)C)nn1 ZINC000824528958 1289683381 /nfs/dbraw/zinc/68/33/81/1289683381.db2.gz DSZKRGAJBWWONU-ZDUSSCGKSA-N 0 0 342.447 2.800 10 10 EFCERN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H](O)C(F)F ZINC000824637518 1289734040 /nfs/dbraw/zinc/73/40/40/1289734040.db2.gz XOEGMXRIHFXPBZ-PWSUYJOCSA-N 0 0 338.192 2.957 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccnn2C)cc1F ZINC000817531333 1289947499 /nfs/dbraw/zinc/94/74/99/1289947499.db2.gz MFQDSRMHDIGYFY-CYBMUJFWSA-N 0 0 332.423 2.825 10 10 EFCERN [O-]c1c(Br)cccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000825710564 1290168885 /nfs/dbraw/zinc/16/88/85/1290168885.db2.gz TYSCTYCFTLBCIW-UHFFFAOYSA-N 0 0 337.221 2.761 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001183451655 1290346863 /nfs/dbraw/zinc/34/68/63/1290346863.db2.gz XLQNVBQAFOOHAG-UHFFFAOYSA-N 0 0 326.238 2.843 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000775028826 1290972129 /nfs/dbraw/zinc/97/21/29/1290972129.db2.gz UBJTYEAZGQBNHS-INIZCTEOSA-N 0 0 326.393 2.586 10 10 EFCERN COC(=O)c1cnc(NCc2c(O)cccc2O)cc1C(F)(F)F ZINC001187717863 1291218567 /nfs/dbraw/zinc/21/85/67/1291218567.db2.gz XZXGWLYJIAIMII-UHFFFAOYSA-N 0 0 342.273 2.910 10 10 EFCERN Cc1cn(C)nc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000826029511 1291551067 /nfs/dbraw/zinc/55/10/67/1291551067.db2.gz GUQNKINTINKMCI-CQSZACIVSA-N 0 0 329.448 2.856 10 10 EFCERN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000775403064 1292258279 /nfs/dbraw/zinc/25/82/79/1292258279.db2.gz FXNODOHIQBIZCH-HUUCEWRRSA-N 0 0 342.439 2.890 10 10 EFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccn(Cc2ccccc2)n1 ZINC000803665873 1312959998 /nfs/dbraw/zinc/95/99/98/1312959998.db2.gz RBUJNJNLDJTDES-CLFYSBASSA-N 0 0 349.390 2.672 10 10 EFCERN COc1cccc(CNS(=O)(=O)/C=C\c2ccccc2F)c1O ZINC000800057833 1293898712 /nfs/dbraw/zinc/89/87/12/1293898712.db2.gz KDDVRGALMQBTAW-KTKRTIGZSA-N 0 0 337.372 2.630 10 10 EFCERN COc1ccc(O)c(CNS(=O)(=O)Cc2cc(C)cc(C)c2)c1 ZINC000800058531 1293899466 /nfs/dbraw/zinc/89/94/66/1293899466.db2.gz NHUUTYHOJNQEKU-UHFFFAOYSA-N 0 0 335.425 2.637 10 10 EFCERN C[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000867124413 1294005383 /nfs/dbraw/zinc/00/53/83/1294005383.db2.gz ASGOWDPARYEQBL-YPMHNXCESA-N 0 0 332.416 2.778 10 10 EFCERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000775739785 1294356520 /nfs/dbraw/zinc/35/65/20/1294356520.db2.gz RWFRAMVNZHZZTG-BPLDGKMQSA-N 0 0 329.799 2.953 10 10 EFCERN O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccc(O)c(O)c1 ZINC000803736422 1313074916 /nfs/dbraw/zinc/07/49/16/1313074916.db2.gz KGXGOBRLLSYKOQ-ZJUUUORDSA-N 0 0 332.274 2.802 10 10 EFCERN COC[C@@H](C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000096935921 1294592412 /nfs/dbraw/zinc/59/24/12/1294592412.db2.gz CQJQFCXQQQCFIP-RLIURORJSA-N 0 0 336.482 2.989 10 10 EFCERN Cc1cc(S(N)(=O)=O)c(C)cc1NCc1ccc(N(C)C)cc1 ZINC000886384200 1294912823 /nfs/dbraw/zinc/91/28/23/1294912823.db2.gz IPXWSEFKMGAOSX-UHFFFAOYSA-N 0 0 333.457 2.629 10 10 EFCERN C[C@H](NC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000826532808 1295263510 /nfs/dbraw/zinc/26/35/10/1295263510.db2.gz YGJOQEROTOJRKD-KSSFIOAISA-N 0 0 349.500 2.731 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CCO)c1ccccc1 ZINC000304289171 1295348504 /nfs/dbraw/zinc/34/85/04/1295348504.db2.gz DGSZQEOVFUCGJP-LJQANCHMSA-N 0 0 341.455 2.984 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000867301830 1295420118 /nfs/dbraw/zinc/42/01/18/1295420118.db2.gz FXKXZOJLWITTED-DOMZBBRYSA-N 0 0 327.380 2.539 10 10 EFCERN CN(C)c1cccc(NS(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC000161319699 1296128858 /nfs/dbraw/zinc/12/88/58/1296128858.db2.gz XEESMEHVPDFARV-UHFFFAOYSA-N 0 0 325.821 2.789 10 10 EFCERN CCn1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000924795847 1296784284 /nfs/dbraw/zinc/78/42/84/1296784284.db2.gz QOOGRJOTQPPKFU-LSDHHAIUSA-N 0 0 343.475 2.855 10 10 EFCERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776166820 1296795882 /nfs/dbraw/zinc/79/58/82/1296795882.db2.gz DJNKOOWNLOQOLT-KGLIPLIRSA-N 0 0 335.448 2.845 10 10 EFCERN COc1cccc(CNC(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000925118714 1296802497 /nfs/dbraw/zinc/80/24/97/1296802497.db2.gz AXSTWVJRMIYEGF-CJNGLKHVSA-N 0 0 346.358 2.672 10 10 EFCERN CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccc(C)cc1 ZINC000928709452 1297126003 /nfs/dbraw/zinc/12/60/03/1297126003.db2.gz IMRFAEQNZJNSRZ-KRWDZBQOSA-N 0 0 344.386 2.723 10 10 EFCERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928710371 1297126268 /nfs/dbraw/zinc/12/62/68/1297126268.db2.gz CGPNTNTUMSBLSE-CQSZACIVSA-N 0 0 336.407 2.575 10 10 EFCERN O=C(CC1CCN(CC(F)F)CC1)NCc1c(O)cccc1F ZINC000928709875 1297126573 /nfs/dbraw/zinc/12/65/73/1297126573.db2.gz MUWSNABETAZMLL-UHFFFAOYSA-N 0 0 330.350 2.515 10 10 EFCERN COc1ccc(N2CCN(Cc3c(F)cncc3F)CC2)cc1F ZINC000929824672 1297206991 /nfs/dbraw/zinc/20/69/91/1297206991.db2.gz XTXYCJYCQRJJMW-UHFFFAOYSA-N 0 0 337.345 2.830 10 10 EFCERN CCNC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000929846298 1297211337 /nfs/dbraw/zinc/21/13/37/1297211337.db2.gz HZVHSXPITBUJJG-UHFFFAOYSA-N 0 0 339.395 2.998 10 10 EFCERN [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000903942504 1313457872 /nfs/dbraw/zinc/45/78/72/1313457872.db2.gz PYETXDJLCQURQD-UHFFFAOYSA-N 0 0 327.812 2.658 10 10 EFCERN [NH3+][C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000903983549 1313535461 /nfs/dbraw/zinc/53/54/61/1313535461.db2.gz INKOQNRGTHWCJG-SCZZXKLOSA-N 0 0 326.721 2.896 10 10 EFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CCC1 ZINC000851840227 1299427764 /nfs/dbraw/zinc/42/77/64/1299427764.db2.gz COGTVKHIJOQAKA-MRXNPFEDSA-N 0 0 341.835 2.836 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccccc3F)C2)cc1 ZINC000851907464 1299459744 /nfs/dbraw/zinc/45/97/44/1299459744.db2.gz UWVZXNDGCMQRKS-OAHLLOKOSA-N 0 0 343.402 2.912 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(C)s3)C2)cc1 ZINC000852028955 1299514383 /nfs/dbraw/zinc/51/43/83/1299514383.db2.gz RXPVQGLQPYSZPF-ZDUSSCGKSA-N 0 0 346.456 2.538 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000852083077 1299540637 /nfs/dbraw/zinc/54/06/37/1299540637.db2.gz BMDHFSNGDHPMSO-HZPDHXFCSA-N 0 0 349.450 2.850 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N(CCF)CCOC)cc1F ZINC000852084226 1299542818 /nfs/dbraw/zinc/54/28/18/1299542818.db2.gz MHPLHLNXUFEIGS-UHFFFAOYSA-N 0 0 343.418 2.799 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(C)(C)OC)C2)cc1 ZINC000852146664 1299564963 /nfs/dbraw/zinc/56/49/63/1299564963.db2.gz HTQIIWXMNAMRKC-CABCVRRESA-N 0 0 349.475 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](SC)C3)C2)cc1 ZINC000852154155 1299569250 /nfs/dbraw/zinc/56/92/50/1299569250.db2.gz NTOLUCOPQLXWDM-KEYYUXOJSA-N 0 0 349.500 2.857 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H](SC)C3)C2)cc1 ZINC000852154153 1299569629 /nfs/dbraw/zinc/56/96/29/1299569629.db2.gz NTOLUCOPQLXWDM-GRDNDAEWSA-N 0 0 349.500 2.857 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000852225655 1299605154 /nfs/dbraw/zinc/60/51/54/1299605154.db2.gz CBYMMQWAMAJNGY-CABCVRRESA-N 0 0 347.459 2.531 10 10 EFCERN COC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852260871 1299621222 /nfs/dbraw/zinc/62/12/22/1299621222.db2.gz FLOTWKLVDPXIPB-RDTXWAMCSA-N 0 0 349.475 2.554 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC3(F)F)C2)cc1 ZINC000852338985 1299665273 /nfs/dbraw/zinc/66/52/73/1299665273.db2.gz HRYRQHRRMRLXBF-WFASDCNBSA-N 0 0 339.386 2.761 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NCCSC(C)C)C2)cc1 ZINC000852338483 1299666008 /nfs/dbraw/zinc/66/60/08/1299666008.db2.gz UTNSLOVMFAQSBM-AWEZNQCLSA-N 0 0 337.489 2.715 10 10 EFCERN CCOCC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852344546 1299670517 /nfs/dbraw/zinc/67/05/17/1299670517.db2.gz PAWCLKHDQLJZFE-OAHLLOKOSA-N 0 0 349.475 2.636 10 10 EFCERN CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(F)F ZINC000852361289 1299676183 /nfs/dbraw/zinc/67/61/83/1299676183.db2.gz XIKUHQXMNMKIDN-BXUZGUMPSA-N 0 0 327.375 2.617 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000852384215 1299683493 /nfs/dbraw/zinc/68/34/93/1299683493.db2.gz AJUPZEOFRAAINS-CGTJXYLNSA-N 0 0 345.487 2.670 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC000852397755 1299689345 /nfs/dbraw/zinc/68/93/45/1299689345.db2.gz VRGCNWYUCWOVKJ-JONQDZQNSA-N 0 0 329.444 2.762 10 10 EFCERN COC1CC(CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000852415252 1299696265 /nfs/dbraw/zinc/69/62/65/1299696265.db2.gz GFUIVDOVMYKIPN-UHFFFAOYSA-N 0 0 332.444 2.885 10 10 EFCERN COC1CC(CCNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000852415088 1299696600 /nfs/dbraw/zinc/69/66/00/1299696600.db2.gz DFQULCKKMPXJEA-UHFFFAOYSA-N 0 0 331.460 2.683 10 10 EFCERN COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000852695849 1299820033 /nfs/dbraw/zinc/82/00/33/1299820033.db2.gz HKQNUDZIJKAALY-GSJFWJNXSA-N 0 0 325.792 2.632 10 10 EFCERN CN(C)c1ccc(CNC2(C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000852754026 1299862974 /nfs/dbraw/zinc/86/29/74/1299862974.db2.gz YXPZEEQAUJBZJD-UHFFFAOYSA-N 0 0 334.460 2.733 10 10 EFCERN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000852780547 1299882831 /nfs/dbraw/zinc/88/28/31/1299882831.db2.gz OBTSZBGRYZVVJW-FVMDXXJSSA-N 0 0 331.334 2.978 10 10 EFCERN CC(C)(C)C(F)(F)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000853089309 1300004722 /nfs/dbraw/zinc/00/47/22/1300004722.db2.gz PVLOOWKYCIGSCZ-UHFFFAOYSA-N 0 0 326.343 2.838 10 10 EFCERN C[C@@H](Nc1cc(CO)c(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000853233898 1300059817 /nfs/dbraw/zinc/05/98/17/1300059817.db2.gz VOFXOUPLCSXFEV-CYBMUJFWSA-N 0 0 331.391 2.723 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cccnc3)C2)cc1 ZINC000853242391 1300063851 /nfs/dbraw/zinc/06/38/51/1300063851.db2.gz YDXISKHKLMORMS-ZBFHGGJFSA-N 0 0 340.427 2.729 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000853456212 1300121296 /nfs/dbraw/zinc/12/12/96/1300121296.db2.gz HBXLVDFRUXZYPA-DLBZAZTESA-N 0 0 331.460 2.636 10 10 EFCERN COc1ccc(N2CCCN(CN3CC[C@@H](C(C)C)C3=O)CC2)cc1 ZINC000853490949 1300133067 /nfs/dbraw/zinc/13/30/67/1300133067.db2.gz JXCHBAULXALXJP-IBGZPJMESA-N 0 0 345.487 2.669 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000853565862 1300169757 /nfs/dbraw/zinc/16/97/57/1300169757.db2.gz BRJACSDLWPMCMB-FUHWJXTLSA-N 0 0 345.370 2.531 10 10 EFCERN Oc1cc2c(cc1CN1CCOC[C@@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000853565861 1300170211 /nfs/dbraw/zinc/17/02/11/1300170211.db2.gz BRJACSDLWPMCMB-AEFFLSMTSA-N 0 0 345.370 2.531 10 10 EFCERN COc1cc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853632309 1300204218 /nfs/dbraw/zinc/20/42/18/1300204218.db2.gz UMLZVKKPRRLPHO-QFYYESIMSA-N 0 0 331.359 2.654 10 10 EFCERN O=S1(=O)N=C(COc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000853674704 1300224422 /nfs/dbraw/zinc/22/44/22/1300224422.db2.gz GXABIPMGQQLJNX-UHFFFAOYSA-N 0 0 342.420 2.857 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3ncncc3Br)C2)cc1 ZINC000853758433 1300260454 /nfs/dbraw/zinc/26/04/54/1300260454.db2.gz GBPXFAJCYLMIGI-LLVKDONJSA-N 0 0 349.232 2.939 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000853758339 1300261341 /nfs/dbraw/zinc/26/13/41/1300261341.db2.gz CLJPKIZIIZCNTM-AWEZNQCLSA-N 0 0 346.452 2.790 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3cc(NC4CC4)ncn3)C2)cc1 ZINC000853759978 1300261670 /nfs/dbraw/zinc/26/16/70/1300261670.db2.gz GFSSSBYHMBQOCY-AWEZNQCLSA-N 0 0 325.416 2.750 10 10 EFCERN COc1ccc(N2CC[C@@H](Nc3nc([C@@H](C)OC)ns3)C2)cc1 ZINC000853760366 1300262852 /nfs/dbraw/zinc/26/28/52/1300262852.db2.gz KBIDCBVZVXUIRR-VXGBXAGGSA-N 0 0 334.445 2.945 10 10 EFCERN COc1ccc(N2CC[C@H](Nc3nccc(-c4cnccn4)n3)C2)cc1 ZINC000853760911 1300263671 /nfs/dbraw/zinc/26/36/71/1300263671.db2.gz ODBUPIPIOVPOMT-AWEZNQCLSA-N 0 0 348.410 2.633 10 10 EFCERN Cc1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2 ZINC000853789443 1300277953 /nfs/dbraw/zinc/27/79/53/1300277953.db2.gz VQOUZDGVYSEVBB-UHFFFAOYSA-N 0 0 339.351 2.797 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ncccc3C)C2)cc1 ZINC000853818332 1300292917 /nfs/dbraw/zinc/29/29/17/1300292917.db2.gz VNWLONJHKFEKGJ-CQSZACIVSA-N 0 0 326.400 2.799 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3nnc(C(C)C)s3)C2)cc1 ZINC000853817835 1300292985 /nfs/dbraw/zinc/29/29/85/1300292985.db2.gz OBYVXDZHWMXNRL-GFCCVEGCSA-N 0 0 346.456 2.679 10 10 EFCERN OC1CCN(c2ccc(CNc3nc(C4CCC4)no3)cc2)CC1 ZINC000853957167 1300362491 /nfs/dbraw/zinc/36/24/91/1300362491.db2.gz JQCURIMILRZAKW-UHFFFAOYSA-N 0 0 328.416 2.910 10 10 EFCERN Cc1nc2[nH]ccc2c(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955892 1300363017 /nfs/dbraw/zinc/36/30/17/1300363017.db2.gz KPCZHIHNHUTYDL-UHFFFAOYSA-N 0 0 337.427 2.840 10 10 EFCERN CC(=O)NCCc1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000854034319 1300397725 /nfs/dbraw/zinc/39/77/25/1300397725.db2.gz BQLWPCMBAOVDHN-UHFFFAOYSA-N 0 0 338.411 2.747 10 10 EFCERN COc1ccc(N2CCN(C(=O)Cc3ccncc3Cl)CC2)cc1 ZINC000854199245 1300469305 /nfs/dbraw/zinc/46/93/05/1300469305.db2.gz YTJWMWFSOJPJHU-UHFFFAOYSA-N 0 0 345.830 2.635 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)c2ccccn2)c1 ZINC000854261476 1300494364 /nfs/dbraw/zinc/49/43/64/1300494364.db2.gz CQZJUAQMMRIDKQ-OLZOCXBDSA-N 0 0 329.400 2.960 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)C(F)F)C2)cc1 ZINC000854297039 1300504498 /nfs/dbraw/zinc/50/44/98/1300504498.db2.gz IPAXPSGIGRDIHM-NSHDSACASA-N 0 0 327.375 2.617 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)C(F)F)C2)cc1 ZINC000854297038 1300504878 /nfs/dbraw/zinc/50/48/78/1300504878.db2.gz IPAXPSGIGRDIHM-LLVKDONJSA-N 0 0 327.375 2.617 10 10 EFCERN COCCC1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854298291 1300505100 /nfs/dbraw/zinc/50/51/00/1300505100.db2.gz ZSECAKRGWULCOU-HNNXBMFYSA-N 0 0 347.459 2.532 10 10 EFCERN C[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854513501 1300601785 /nfs/dbraw/zinc/60/17/85/1300601785.db2.gz LRILINZELOPAFI-CQSZACIVSA-N 0 0 335.411 2.677 10 10 EFCERN COCC[C@@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854529442 1300611364 /nfs/dbraw/zinc/61/13/64/1300611364.db2.gz UYLKJCQPJLDPCM-SFHVURJKSA-N 0 0 344.455 2.804 10 10 EFCERN COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000776747885 1300615429 /nfs/dbraw/zinc/61/54/29/1300615429.db2.gz PWOIZYHXGBHGSD-BJMVGYQFSA-N 0 0 347.392 2.688 10 10 EFCERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)cc2O)c1 ZINC000795285586 1300619595 /nfs/dbraw/zinc/61/95/95/1300619595.db2.gz SBMJLVASHUHEBO-UHFFFAOYSA-N 0 0 332.312 2.708 10 10 EFCERN COC(=O)[C@@H](CCF)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855019191 1300766707 /nfs/dbraw/zinc/76/67/07/1300766707.db2.gz TURVVUOUXDPXAY-QGZVFWFLSA-N 0 0 346.402 2.654 10 10 EFCERN COc1cc(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)ccc1O ZINC000795360811 1300842284 /nfs/dbraw/zinc/84/22/84/1300842284.db2.gz ALTRTWFMGOXOEM-UHFFFAOYSA-N 0 0 340.401 2.628 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C2)cc1 ZINC000855223513 1300844927 /nfs/dbraw/zinc/84/49/27/1300844927.db2.gz BBKGTBWKACMYLA-GDBMZVCRSA-N 0 0 334.460 2.577 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3coc(C4CCC4)n3)C2)cc1 ZINC000855222991 1300845031 /nfs/dbraw/zinc/84/50/31/1300845031.db2.gz AKSXEOQSVMGFNT-AWEZNQCLSA-N 0 0 341.411 2.959 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C\c3ccccn3)C2)cc1 ZINC000855223301 1300846048 /nfs/dbraw/zinc/84/60/48/1300846048.db2.gz GLPXIMNCMVCFBK-AKMXKPQHSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4[nH]ccc4c3)C2)cc1 ZINC000855223425 1300846130 /nfs/dbraw/zinc/84/61/30/1300846130.db2.gz HDPULARYSVZLRV-HNNXBMFYSA-N 0 0 336.395 2.532 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/C3(C)CCOCC3)C2)cc1 ZINC000855223967 1300846285 /nfs/dbraw/zinc/84/62/85/1300846285.db2.gz JOLFAPWMDDGUMT-MNDMWVCDSA-N 0 0 344.455 2.763 10 10 EFCERN CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000855224183 1300846470 /nfs/dbraw/zinc/84/64/70/1300846470.db2.gz FNIGJGBPUUIXAG-LZLYRXPVSA-N 0 0 346.471 2.985 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C=C\c3ccncc3C)C2)cc1 ZINC000855224307 1300846568 /nfs/dbraw/zinc/84/65/68/1300846568.db2.gz FDBSERQIGONHTL-VCKUIECUSA-N 0 0 337.423 2.807 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCCCC(=O)C3)C2)cc1 ZINC000855224019 1300846794 /nfs/dbraw/zinc/84/67/94/1300846794.db2.gz DOMTVFFPWXCSGX-HZPDHXFCSA-N 0 0 344.455 2.930 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3ncccc3F)C2)cc1 ZINC000855224377 1300846813 /nfs/dbraw/zinc/84/68/13/1300846813.db2.gz KESLCUTUYLPPFS-UONOGXRCSA-N 0 0 343.402 2.728 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3ncccc3F)C2)cc1 ZINC000855224370 1300846850 /nfs/dbraw/zinc/84/68/50/1300846850.db2.gz KESLCUTUYLPPFS-KBPBESRZSA-N 0 0 343.402 2.728 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)nsc3C)C2)cc1 ZINC000855223983 1300847750 /nfs/dbraw/zinc/84/77/50/1300847750.db2.gz DGSABTYZAGHEIO-ZDUSSCGKSA-N 0 0 331.441 2.777 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C\c3ccncc3)C2)cc1 ZINC000855226504 1300848156 /nfs/dbraw/zinc/84/81/56/1300848156.db2.gz SQMKERIGFAMCPI-REZBVGGZSA-N 0 0 337.423 2.889 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)cc1 ZINC000855226971 1300848213 /nfs/dbraw/zinc/84/82/13/1300848213.db2.gz RRDKIRPESGQXNS-YWZLYKJASA-N 0 0 346.471 2.721 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]ccc3C3CC3)C2)cc1 ZINC000855227263 1300848530 /nfs/dbraw/zinc/84/85/30/1300848530.db2.gz WUQYERKPSFIWME-CQSZACIVSA-N 0 0 325.412 2.909 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3SCCCS3)C2)cc1 ZINC000855227101 1300848589 /nfs/dbraw/zinc/84/85/89/1300848589.db2.gz VQAIWYKSXGPJQH-GFCCVEGCSA-N 0 0 338.498 2.586 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@H](OC)C3)C2)cc1 ZINC000855227007 1300848745 /nfs/dbraw/zinc/84/87/45/1300848745.db2.gz SHEYYWLZRTYRAH-VKJFTORMSA-N 0 0 332.444 2.595 10 10 EFCERN CCCc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855226683 1300848933 /nfs/dbraw/zinc/84/89/33/1300848933.db2.gz PSIQLOHUQRYTAI-CQSZACIVSA-N 0 0 343.427 2.953 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccc(F)c3)C2)cc1 ZINC000855229747 1300850225 /nfs/dbraw/zinc/85/02/25/1300850225.db2.gz PXJXUTNMQUWPLH-MRXNPFEDSA-N 0 0 328.387 2.772 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000855230361 1300850563 /nfs/dbraw/zinc/85/05/63/1300850563.db2.gz VPZNQBIMLVZXPQ-NSHDSACASA-N 0 0 347.396 2.674 10 10 EFCERN CNc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230439 1300851009 /nfs/dbraw/zinc/85/10/09/1300851009.db2.gz DHHWCZXFALLCDW-CQSZACIVSA-N 0 0 325.412 2.746 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COCc3ccccc3)C2)cc1 ZINC000855230135 1300851114 /nfs/dbraw/zinc/85/11/14/1300851114.db2.gz TVMDNKSSRMDUSW-QGZVFWFLSA-N 0 0 340.423 2.607 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3csc(C)n3)C2)cc1 ZINC000855232417 1300852129 /nfs/dbraw/zinc/85/21/29/1300852129.db2.gz TVUIEHIIZKRECG-AWEZNQCLSA-N 0 0 345.468 2.788 10 10 EFCERN CCCCCCOCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231423 1300852898 /nfs/dbraw/zinc/85/28/98/1300852898.db2.gz MHUXUHLXRAJRIY-INIZCTEOSA-N 0 0 334.460 2.987 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(Cl)n3)C2)cc1 ZINC000855231001 1300853070 /nfs/dbraw/zinc/85/30/70/1300853070.db2.gz RREBQWKDYMZCGB-GFCCVEGCSA-N 0 0 331.803 2.752 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)COc3cccc(C)c3)C2)cc1 ZINC000855234863 1300853986 /nfs/dbraw/zinc/85/39/86/1300853986.db2.gz OOSZVHHDUGCOGG-INIZCTEOSA-N 0 0 340.423 2.778 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3C)C2)cc1 ZINC000855234755 1300854420 /nfs/dbraw/zinc/85/44/20/1300854420.db2.gz LOYFWFSUKQKMPC-MRXNPFEDSA-N 0 0 340.423 2.778 10 10 EFCERN Cc1cc(CC(=O)N2CC[C@H](O)C(F)(F)C2)c(C)n1-c1ccccc1 ZINC000855449116 1300961493 /nfs/dbraw/zinc/96/14/93/1300961493.db2.gz WNYGHSZJUCBTOD-KRWDZBQOSA-N 0 0 348.393 2.865 10 10 EFCERN Cc1cc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)c(C)n1-c1ccccn1 ZINC000855541308 1301006121 /nfs/dbraw/zinc/00/61/21/1301006121.db2.gz OIEIYEZLIRNJAW-BGYRXZFFSA-N 0 0 339.439 2.988 10 10 EFCERN Cc1cc(C(=O)NCCO[C@H]2CC2(F)F)c(C)n1-c1ccccn1 ZINC000855610700 1301033194 /nfs/dbraw/zinc/03/31/94/1301033194.db2.gz RHTHGGNOYHGWNF-AWEZNQCLSA-N 0 0 335.354 2.643 10 10 EFCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]4(O)C[C@H]4C3)c2C)cc1 ZINC000855840240 1301138097 /nfs/dbraw/zinc/13/80/97/1301138097.db2.gz PWFZWWJSVVVONV-MGPUTAFESA-N 0 0 340.423 2.700 10 10 EFCERN COC(=O)[C@@](C)(CCF)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855908563 1301168943 /nfs/dbraw/zinc/16/89/43/1301168943.db2.gz PVXUJTZPUMUPOS-GOSISDBHSA-N 0 0 347.390 2.510 10 10 EFCERN COC(=O)COc1ccc(N(C)Cc2cc(CO)ccc2F)cc1 ZINC000859246743 1301407485 /nfs/dbraw/zinc/40/74/85/1301407485.db2.gz VRFFZMCTNLNAJE-UHFFFAOYSA-N 0 0 333.359 2.506 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H]2CCOC2)cc1 ZINC000859263088 1301414401 /nfs/dbraw/zinc/41/44/01/1301414401.db2.gz BYERNYQKGHJYCZ-LJQANCHMSA-N 0 0 340.423 2.696 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000859664520 1301523674 /nfs/dbraw/zinc/52/36/74/1301523674.db2.gz DQVWECJUADLIHD-APWZRJJASA-N 0 0 340.423 2.797 10 10 EFCERN CCO[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC000859966063 1301655442 /nfs/dbraw/zinc/65/54/42/1301655442.db2.gz OAUZCCBEONEMMM-KRWDZBQOSA-N 0 0 338.423 2.544 10 10 EFCERN C[C@H](NC(=O)c1ccn(C2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000860949952 1301971820 /nfs/dbraw/zinc/97/18/20/1301971820.db2.gz GSUZKRGPDRUERZ-AWEZNQCLSA-N 0 0 342.443 2.792 10 10 EFCERN COc1cnc(F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000861591502 1302163909 /nfs/dbraw/zinc/16/39/09/1302163909.db2.gz WIPJRMMSLZUWOF-UHFFFAOYSA-N 0 0 336.342 2.756 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C)(CO)C2)ccc1C ZINC000861905213 1302243096 /nfs/dbraw/zinc/24/30/96/1302243096.db2.gz ODCHOMPHUZQDDB-UHFFFAOYSA-N 0 0 340.423 2.669 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)cc1 ZINC000862158426 1302301739 /nfs/dbraw/zinc/30/17/39/1302301739.db2.gz HCMORNZEMKNTST-PSMQTCRGSA-N 0 0 348.446 2.976 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C2)cc1 ZINC000862159729 1302301840 /nfs/dbraw/zinc/30/18/40/1302301840.db2.gz WBYSEGFANLTDBH-VXGBXAGGSA-N 0 0 330.350 2.979 10 10 EFCERN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351757 1302342836 /nfs/dbraw/zinc/34/28/36/1302342836.db2.gz SZZKWRIFHFONLB-KBXCAEBGSA-N 0 0 340.414 2.801 10 10 EFCERN CN(C)c1cc(F)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862387155 1302359738 /nfs/dbraw/zinc/35/97/38/1302359738.db2.gz IBITUBPARQBMHR-LKFCYVNXSA-N 0 0 338.320 2.776 10 10 EFCERN CCn1ncc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000862387926 1302362482 /nfs/dbraw/zinc/36/24/82/1302362482.db2.gz SHEBYIDXZKFWJW-UHFFFAOYSA-N 0 0 341.390 2.775 10 10 EFCERN C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000862432643 1302383021 /nfs/dbraw/zinc/38/30/21/1302383021.db2.gz LTTVQMZRRGCVGI-MRXNPFEDSA-N 0 0 325.767 2.888 10 10 EFCERN COc1c([O-])c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)ccc1[N+](=O)[O-] ZINC000862436128 1302385358 /nfs/dbraw/zinc/38/53/58/1302385358.db2.gz XRWUTMUFBUMRKB-HNNXBMFYSA-N 0 0 344.367 2.540 10 10 EFCERN CCc1cccc(CN[C@H](Cc2cccc(OC)c2)C(=O)OC)c1O ZINC000862474978 1302393658 /nfs/dbraw/zinc/39/36/58/1302393658.db2.gz UYIHXTNQUSDEHC-GOSISDBHSA-N 0 0 343.423 2.837 10 10 EFCERN CCN(CC)c1ccc(CN[C@@H](C[C@H]2CCCOC2)C(=O)OC)cc1 ZINC000862516520 1302404179 /nfs/dbraw/zinc/40/41/79/1302404179.db2.gz SXIFNEUTQCQVJC-MJGOQNOKSA-N 0 0 348.487 2.981 10 10 EFCERN Cc1cc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000862649874 1302433118 /nfs/dbraw/zinc/43/31/18/1302433118.db2.gz JEJQKIKEXAEEJZ-RTBURBONSA-N 0 0 342.439 2.672 10 10 EFCERN Cc1cc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c(C)n1-c1ccccn1 ZINC000862684016 1302439293 /nfs/dbraw/zinc/43/92/93/1302439293.db2.gz CUUWNTUKVMYQCY-KUHUBIRLSA-N 0 0 325.412 2.786 10 10 EFCERN Cc1ccc(O)c(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000862759594 1302451096 /nfs/dbraw/zinc/45/10/96/1302451096.db2.gz IILVQSMYXCCEGN-UHFFFAOYSA-N 0 0 327.380 2.721 10 10 EFCERN Cc1ccc(O)c(CNC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000862758774 1302451102 /nfs/dbraw/zinc/45/11/02/1302451102.db2.gz KQVHPKKXUFPGMS-UHFFFAOYSA-N 0 0 342.370 2.875 10 10 EFCERN Cc1ccc(N(CC2CC2)C(=O)c2ccoc2CC(N)=O)cc1F ZINC000863601762 1302660300 /nfs/dbraw/zinc/66/03/00/1302660300.db2.gz OMDPSYCPYTZPKJ-UHFFFAOYSA-N 0 0 330.359 2.812 10 10 EFCERN CCOC1CC2(C[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000864470853 1302944326 /nfs/dbraw/zinc/94/43/26/1302944326.db2.gz ROHLOMKCJPEUHZ-FDYSRKEFSA-N 0 0 344.455 2.549 10 10 EFCERN O=C([O-])[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000864524377 1302961496 /nfs/dbraw/zinc/96/14/96/1302961496.db2.gz FJQJCURJRRZUHT-LJQANCHMSA-N 0 0 332.444 2.648 10 10 EFCERN CCCN(CC(N)=O)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000795508086 1302971960 /nfs/dbraw/zinc/97/19/60/1302971960.db2.gz RQFUMNHTLSRZDD-UHFFFAOYSA-N 0 0 345.418 2.613 10 10 EFCERN CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@]2(CCOC2)O1 ZINC000794694671 1302982902 /nfs/dbraw/zinc/98/29/02/1302982902.db2.gz PENOFECJDDOGQV-BEFAXECRSA-N 0 0 328.412 2.710 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@]12C[C@@H]1CCCC2 ZINC000864931728 1303087151 /nfs/dbraw/zinc/08/71/51/1303087151.db2.gz NRHNNVMAQAMVNF-KXBFYZLASA-N 0 0 332.419 2.859 10 10 EFCERN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)n(C)n1 ZINC000794803470 1303100626 /nfs/dbraw/zinc/10/06/26/1303100626.db2.gz HSJNJKZHIRMRKY-UHFFFAOYSA-N 0 0 339.193 2.518 10 10 EFCERN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000865018057 1303122811 /nfs/dbraw/zinc/12/28/11/1303122811.db2.gz GOJRXHVYLCXSSA-AUKGUFSJSA-N 0 0 328.456 2.993 10 10 EFCERN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000865053270 1303139512 /nfs/dbraw/zinc/13/95/12/1303139512.db2.gz IWOXRHACEXDFSI-MJGOQNOKSA-N 0 0 346.471 2.517 10 10 EFCERN C[C@H](O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000865453005 1303263853 /nfs/dbraw/zinc/26/38/53/1303263853.db2.gz UUIXGQAYSOZNTQ-ZDUSSCGKSA-N 0 0 331.391 2.723 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001278288489 1313902580 /nfs/dbraw/zinc/90/25/80/1313902580.db2.gz LRTMRNXPASXOFP-OALUTQOASA-N 0 0 346.471 2.938 10 10 EFCERN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000865922112 1303454758 /nfs/dbraw/zinc/45/47/58/1303454758.db2.gz XKEFWIMTUZIFQB-FZMZJTMJSA-N 0 0 326.400 2.505 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000865923302 1303456010 /nfs/dbraw/zinc/45/60/10/1303456010.db2.gz MCAIPBPYURMNPR-PYEVWLCESA-N 0 0 330.262 2.922 10 10 EFCERN CC(=O)c1cccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000865952239 1303466546 /nfs/dbraw/zinc/46/65/46/1303466546.db2.gz DOTDCOUCIZGLOY-UHFFFAOYSA-N 0 0 325.412 2.857 10 10 EFCERN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000865952135 1303466808 /nfs/dbraw/zinc/46/68/08/1303466808.db2.gz CEWLDMGUJOLBJQ-UHFFFAOYSA-N 0 0 346.362 2.702 10 10 EFCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953212 1303466912 /nfs/dbraw/zinc/46/69/12/1303466912.db2.gz DWCPLGAMUJJFCZ-QRKUABHPSA-N 0 0 342.483 2.804 10 10 EFCERN COc1ccc(N2CCN(C(=O)OCCC(F)(F)F)CC2)cc1 ZINC000866390095 1303621206 /nfs/dbraw/zinc/62/12/06/1303621206.db2.gz YPHRUOOSJKAXTQ-UHFFFAOYSA-N 0 0 332.322 2.906 10 10 EFCERN CC[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000866437152 1303638548 /nfs/dbraw/zinc/63/85/48/1303638548.db2.gz AGUYJXLPHUSDCP-AWEZNQCLSA-N 0 0 327.396 2.930 10 10 EFCERN C[C@@H]1C[C@@H](NCc2nnc(C3CCOCC3)[nH]2)c2c1c(F)ccc2O ZINC000866441509 1303640491 /nfs/dbraw/zinc/64/04/91/1303640491.db2.gz LNBQNVIQGYBECA-ZWNOBZJWSA-N 0 0 346.406 2.882 10 10 EFCERN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866441974 1303641853 /nfs/dbraw/zinc/64/18/53/1303641853.db2.gz BFMPMFPZGJCXDW-QUBYGPBYSA-N 0 0 342.155 2.961 10 10 EFCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)cc1F ZINC000866459316 1303648283 /nfs/dbraw/zinc/64/82/83/1303648283.db2.gz LCLHQAZVHPNZMB-LCGIIJARSA-N 0 0 332.419 2.775 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)c1cccn(C2CC2)c1=O ZINC000866598394 1303704847 /nfs/dbraw/zinc/70/48/47/1303704847.db2.gz BIIDLYDKSMWFRD-UHFFFAOYSA-N 0 0 326.396 2.941 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000866771731 1303786663 /nfs/dbraw/zinc/78/66/63/1303786663.db2.gz WTCAQYWFTKBMNZ-LSDHHAIUSA-N 0 0 345.439 2.867 10 10 EFCERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@H]1CCC1(F)F ZINC000866797271 1303797987 /nfs/dbraw/zinc/79/79/87/1303797987.db2.gz REUHUBLZSMBBKM-CYBMUJFWSA-N 0 0 332.416 2.526 10 10 EFCERN C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000867502954 1303836388 /nfs/dbraw/zinc/83/63/88/1303836388.db2.gz GADCXYWDOSEKTJ-WBMJQRKESA-N 0 0 328.416 2.818 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000867504545 1303837786 /nfs/dbraw/zinc/83/77/86/1303837786.db2.gz XMPOHXANPAHWGF-VNQPRFMTSA-N 0 0 332.444 2.909 10 10 EFCERN COc1c(C)cc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000867689171 1303910472 /nfs/dbraw/zinc/91/04/72/1303910472.db2.gz IKAUDMHANJNIDA-UHFFFAOYSA-N 0 0 333.409 2.722 10 10 EFCERN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690179 1303911476 /nfs/dbraw/zinc/91/14/76/1303911476.db2.gz BSCIGLJIOFKQJM-UHFFFAOYSA-N 0 0 349.456 2.566 10 10 EFCERN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561843 1334795769 /nfs/dbraw/zinc/79/57/69/1334795769.db2.gz CURCLHZHCVMJCC-SDDRHHMPSA-N 0 0 330.831 2.772 10 10 EFCERN O=C(NCc1cccc(Br)c1O)[C@]12CCC[C@H]1OCC2 ZINC000867830733 1303975314 /nfs/dbraw/zinc/97/53/14/1303975314.db2.gz HCVVGQSSNZEJEB-DOMZBBRYSA-N 0 0 340.217 2.730 10 10 EFCERN C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2O)[C@@H](C)O1 ZINC000867830531 1303975420 /nfs/dbraw/zinc/97/54/20/1303975420.db2.gz BHVYIKVJGOKXRA-KKZNHRDASA-N 0 0 328.206 2.584 10 10 EFCERN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834556 1303977936 /nfs/dbraw/zinc/97/79/36/1303977936.db2.gz QPPZURXUBUTSGZ-NSHDSACASA-N 0 0 337.445 2.826 10 10 EFCERN C[C@H](COC1CCCC1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836217 1303979006 /nfs/dbraw/zinc/97/90/06/1303979006.db2.gz JSBFWKCJQKXGDB-KGLIPLIRSA-N 0 0 341.473 2.968 10 10 EFCERN C[C@H](NC(=O)NCCc1cn2c(n1)CCCC2)c1ccccc1O ZINC000868035170 1304089131 /nfs/dbraw/zinc/08/91/31/1304089131.db2.gz IPWFUFIYXCULSU-ZDUSSCGKSA-N 0 0 328.416 2.528 10 10 EFCERN C[C@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccccc1O ZINC000868113137 1304133378 /nfs/dbraw/zinc/13/33/78/1304133378.db2.gz QFYZTSSICHXLPC-NSHDSACASA-N 0 0 333.354 2.637 10 10 EFCERN C[C@H](NC(=O)NCCCOCC1CCOCC1)c1ccccc1O ZINC000868298848 1304231623 /nfs/dbraw/zinc/23/16/23/1304231623.db2.gz XDMKSIGLCRVORQ-AWEZNQCLSA-N 0 0 336.432 2.586 10 10 EFCERN C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O ZINC000868408380 1304282009 /nfs/dbraw/zinc/28/20/09/1304282009.db2.gz PYDMIWOXNPKGEX-ZFWWWQNUSA-N 0 0 345.443 2.544 10 10 EFCERN C[C@H](NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000868457580 1304303868 /nfs/dbraw/zinc/30/38/68/1304303868.db2.gz YUOBLPQRNXWAAL-LBPRGKRZSA-N 0 0 349.431 2.619 10 10 EFCERN C[C@@H](NC(=O)N[C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000868514415 1304333923 /nfs/dbraw/zinc/33/39/23/1304333923.db2.gz BZXOBWGJMYCHSA-CJNGLKHVSA-N 0 0 327.432 2.844 10 10 EFCERN C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1O ZINC000868764324 1304462492 /nfs/dbraw/zinc/46/24/92/1304462492.db2.gz MJIPAKSGYMWFLK-AWEZNQCLSA-N 0 0 340.427 2.948 10 10 EFCERN CC/C=C(/F)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868838745 1304500572 /nfs/dbraw/zinc/50/05/72/1304500572.db2.gz PFCBWOVEDJVZGW-KGVSQERTSA-N 0 0 328.334 2.681 10 10 EFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCC12CC2 ZINC000868844787 1304502692 /nfs/dbraw/zinc/50/26/92/1304502692.db2.gz UEYMSIBPCIPVRZ-SFHVURJKSA-N 0 0 343.471 2.997 10 10 EFCERN CCO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000868891048 1304521803 /nfs/dbraw/zinc/52/18/03/1304521803.db2.gz ZSTOXAXUZRTBQJ-AYBZRNKSSA-N 0 0 348.487 2.550 10 10 EFCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000868966265 1304552567 /nfs/dbraw/zinc/55/25/67/1304552567.db2.gz MMXQSDDEQZODHV-DTZQCDIJSA-N 0 0 331.412 2.576 10 10 EFCERN CS[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000868987192 1304562487 /nfs/dbraw/zinc/56/24/87/1304562487.db2.gz IZTSFAPORIDAKT-MGCOHNPYSA-N 0 0 345.262 2.848 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC000869000563 1304571113 /nfs/dbraw/zinc/57/11/13/1304571113.db2.gz LSZGTJXSOYHBFI-QAPCUYQASA-N 0 0 349.450 2.896 10 10 EFCERN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC(=O)c3ccccc3O2)c1 ZINC000869089169 1304608838 /nfs/dbraw/zinc/60/88/38/1304608838.db2.gz GZFXDRRDASTFGV-CQSZACIVSA-N 0 0 340.379 2.534 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)cnc2F)cc1 ZINC000869142701 1304631030 /nfs/dbraw/zinc/63/10/30/1304631030.db2.gz JPTPFCDGYCLJOO-UHFFFAOYSA-N 0 0 331.391 2.746 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000869142806 1304631323 /nfs/dbraw/zinc/63/13/23/1304631323.db2.gz PDNCYEFAJHEOPP-RBUKOAKNSA-N 0 0 346.471 2.653 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000869204950 1304659054 /nfs/dbraw/zinc/65/90/54/1304659054.db2.gz GOQHGBLDYDDOAJ-XFBWCDHKSA-N 0 0 334.416 2.576 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCn2nccc21 ZINC000869218162 1304664409 /nfs/dbraw/zinc/66/44/09/1304664409.db2.gz JZFBQWCGLLRXAS-INIZCTEOSA-N 0 0 327.432 2.592 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)C3(c4ccccn4)CC3)C2)cc1 ZINC000869228881 1304670288 /nfs/dbraw/zinc/67/02/88/1304670288.db2.gz PKNBGBJGRQWITB-HNNXBMFYSA-N 0 0 337.423 2.517 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(F)cc3C)C2)cc1 ZINC000869229194 1304670365 /nfs/dbraw/zinc/67/03/65/1304670365.db2.gz STOKKOSBCUZTNY-CYBMUJFWSA-N 0 0 329.375 2.546 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)C3(c4ccccn4)CC3)C2)cc1 ZINC000869228883 1304670857 /nfs/dbraw/zinc/67/08/57/1304670857.db2.gz PKNBGBJGRQWITB-OAHLLOKOSA-N 0 0 337.423 2.517 10 10 EFCERN CCO[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000869232164 1304672659 /nfs/dbraw/zinc/67/26/59/1304672659.db2.gz YBVVIFHSBHPKAL-LPHOPBHVSA-N 0 0 346.471 2.985 10 10 EFCERN Cc1ccc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)c(O)c1O ZINC000869969469 1305064319 /nfs/dbraw/zinc/06/43/19/1305064319.db2.gz BJTNUJPGXQIESM-UHFFFAOYSA-N 0 0 343.379 2.556 10 10 EFCERN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1 ZINC000870112635 1305144321 /nfs/dbraw/zinc/14/43/21/1305144321.db2.gz MRSZZEUHKZVNQP-INIZCTEOSA-N 0 0 343.379 2.629 10 10 EFCERN Fc1cc(CNc2cc3n(n2)CCCC3)ccc1N1CCOCC1 ZINC000796520612 1305394827 /nfs/dbraw/zinc/39/48/27/1305394827.db2.gz LVRGGPGHSGNZSF-UHFFFAOYSA-N 0 0 330.407 2.807 10 10 EFCERN Oc1ccc(Br)cc1CNC(=S)NCC(F)(F)F ZINC000795155006 1305767406 /nfs/dbraw/zinc/76/74/06/1305767406.db2.gz WCNVVVFBXIXGBY-UHFFFAOYSA-N 0 0 343.168 2.681 10 10 EFCERN CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871198350 1305884366 /nfs/dbraw/zinc/88/43/66/1305884366.db2.gz IAOAQTAJYSKKQD-UHFFFAOYSA-N 0 0 346.427 2.882 10 10 EFCERN O=C(CCc1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871198734 1305884865 /nfs/dbraw/zinc/88/48/65/1305884865.db2.gz NYHLXKOQYMQVEQ-UHFFFAOYSA-N 0 0 325.364 2.638 10 10 EFCERN CC(C)(C)c1noc(CCCC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871198713 1305885074 /nfs/dbraw/zinc/88/50/74/1305885074.db2.gz NNMQPHKNPYVXBW-UHFFFAOYSA-N 0 0 329.400 2.938 10 10 EFCERN O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198771 1305885122 /nfs/dbraw/zinc/88/51/22/1305885122.db2.gz OKLNDEWHGMELSQ-QGZVFWFLSA-N 0 0 336.391 2.539 10 10 EFCERN Cc1ccc(N2C[C@@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1 ZINC000871199454 1305886436 /nfs/dbraw/zinc/88/64/36/1305886436.db2.gz QAXHTGHEGYCKEZ-HNNXBMFYSA-N 0 0 336.391 2.596 10 10 EFCERN COc1cc(C(=O)N2Cc3cccc(O)c3C2)cc(OC)c1OC ZINC000871199410 1305886761 /nfs/dbraw/zinc/88/67/61/1305886761.db2.gz PTUDUUPMMOAQDK-UHFFFAOYSA-N 0 0 329.352 2.574 10 10 EFCERN O=C([C@H]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1)N1CCCC1 ZINC000871200746 1305887767 /nfs/dbraw/zinc/88/77/67/1305887767.db2.gz HZWFKHIIMYGMHY-HOTGVXAUSA-N 0 0 342.439 2.663 10 10 EFCERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203769 1305888904 /nfs/dbraw/zinc/88/89/04/1305888904.db2.gz GKLPXWSFLQJXHH-ZDUSSCGKSA-N 0 0 346.427 2.882 10 10 EFCERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871202296 1305889043 /nfs/dbraw/zinc/88/90/43/1305889043.db2.gz CPIRAAIJFANUJM-HUUCEWRRSA-N 0 0 337.375 2.809 10 10 EFCERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203244 1305889159 /nfs/dbraw/zinc/88/91/59/1305889159.db2.gz VITYIMLAWPEMNA-UHFFFAOYSA-N 0 0 336.391 2.826 10 10 EFCERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1Cc2cccc(O)c2C1 ZINC000871202435 1305889206 /nfs/dbraw/zinc/88/92/06/1305889206.db2.gz HGRUIVIZUTYBGA-UHFFFAOYSA-N 0 0 337.379 2.839 10 10 EFCERN CCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1S(C)(=O)=O ZINC000871203555 1305889590 /nfs/dbraw/zinc/88/95/90/1305889590.db2.gz NDOMNNJWYRUNKS-UHFFFAOYSA-N 0 0 345.420 2.514 10 10 EFCERN O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1 ZINC000871202295 1305889970 /nfs/dbraw/zinc/88/99/70/1305889970.db2.gz CPIRAAIJFANUJM-GJZGRUSLSA-N 0 0 337.375 2.809 10 10 EFCERN CC(C)(C)C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871204704 1305890576 /nfs/dbraw/zinc/89/05/76/1305890576.db2.gz IEECPLRXFDVOBG-UHFFFAOYSA-N 0 0 339.395 2.928 10 10 EFCERN CN(CC(=O)N1Cc2cccc(O)c2C1)C(=O)OCc1ccccc1 ZINC000871204655 1305890995 /nfs/dbraw/zinc/89/09/95/1305890995.db2.gz NTHGVGKPSKROFC-UHFFFAOYSA-N 0 0 340.379 2.503 10 10 EFCERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1CC1CCCC1 ZINC000871205076 1305891054 /nfs/dbraw/zinc/89/10/54/1305891054.db2.gz VMRPVPFAZJTELX-UHFFFAOYSA-N 0 0 326.400 2.638 10 10 EFCERN CC(C)(C)OC(=O)NCC1(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871206111 1305891314 /nfs/dbraw/zinc/89/13/14/1305891314.db2.gz RRXFCZQNXIUPCO-UHFFFAOYSA-N 0 0 346.427 2.929 10 10 EFCERN O=C([C@H](C[C@H]1CCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871206192 1305891438 /nfs/dbraw/zinc/89/14/38/1305891438.db2.gz VUMYKYHSKTXDAF-YPMHNXCESA-N 0 0 329.318 2.982 10 10 EFCERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871208060 1305892828 /nfs/dbraw/zinc/89/28/28/1305892828.db2.gz XRSXMTRTCJFPRF-QGZVFWFLSA-N 0 0 337.375 2.967 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@](C)(O)C2)c(C)n1-c1ccc(F)cc1 ZINC000748832385 1314160566 /nfs/dbraw/zinc/16/05/66/1314160566.db2.gz HHQCLSUYEZOFEU-IBGZPJMESA-N 0 0 330.403 2.873 10 10 EFCERN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254681 1307827534 /nfs/dbraw/zinc/82/75/34/1307827534.db2.gz LZCCQXOROJCRRB-BDUNBXCCSA-N 0 0 334.485 2.573 10 10 EFCERN COc1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c(OC)c1 ZINC000800573265 1308132224 /nfs/dbraw/zinc/13/22/24/1308132224.db2.gz OUPLWDFYPVETIA-UHFFFAOYSA-N 0 0 346.383 2.788 10 10 EFCERN COc1cccc(CNC(=O)NCCc2cccc3[nH]ccc32)c1O ZINC000800743554 1308336999 /nfs/dbraw/zinc/33/69/99/1308336999.db2.gz KDFJIMLYFHPMRN-UHFFFAOYSA-N 0 0 339.395 2.924 10 10 EFCERN c1csc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)c1 ZINC000900600187 1308386786 /nfs/dbraw/zinc/38/67/86/1308386786.db2.gz FFENYRZNZNRGIH-UHFFFAOYSA-N 0 0 326.425 2.892 10 10 EFCERN c1cc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)cs1 ZINC000900602025 1308390364 /nfs/dbraw/zinc/39/03/64/1308390364.db2.gz RYBVXTHXUCYONJ-UHFFFAOYSA-N 0 0 326.425 2.892 10 10 EFCERN CO[C@@H](C)c1nsc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000800845974 1308542786 /nfs/dbraw/zinc/54/27/86/1308542786.db2.gz WJDTWVGSLIMELS-ZDUSSCGKSA-N 0 0 348.472 2.719 10 10 EFCERN COCc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000901674254 1310868731 /nfs/dbraw/zinc/86/87/31/1310868731.db2.gz FXFCCNWJRYHTEB-AWEZNQCLSA-N 0 0 343.445 2.628 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@H]3CSC3(C)C)CC2)cc1 ZINC000801796510 1310928664 /nfs/dbraw/zinc/92/86/64/1310928664.db2.gz PEVRDJJWZZJTSS-INIZCTEOSA-N 0 0 349.500 2.811 10 10 EFCERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CSC3(C)C)CC2)cc1 ZINC000801796512 1310929085 /nfs/dbraw/zinc/92/90/85/1310929085.db2.gz PEVRDJJWZZJTSS-MRXNPFEDSA-N 0 0 349.500 2.811 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)C(C)(C)c2cnn(C)c2)cc1F ZINC000752151123 1311148303 /nfs/dbraw/zinc/14/83/03/1311148303.db2.gz SJKKTYJKFPUKJE-UHFFFAOYSA-N 0 0 346.450 2.999 10 10 EFCERN Cn1ccnc1[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC001158733222 1311376280 /nfs/dbraw/zinc/37/62/80/1311376280.db2.gz XUBNCHURZNUCBH-CQSZACIVSA-N 0 0 349.362 2.985 10 10 EFCERN CN(C[C@H](O)c1cccnc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001158783459 1311387042 /nfs/dbraw/zinc/38/70/42/1311387042.db2.gz KFOCBJQVZOOFHT-AWEZNQCLSA-N 0 0 344.392 2.513 10 10 EFCERN Cc1cc(N(C)C)ccc1CNC(=O)NC1(CCO)CCCCC1 ZINC000802172964 1311422734 /nfs/dbraw/zinc/42/27/34/1311422734.db2.gz PSYZKOPZYBGJEZ-UHFFFAOYSA-N 0 0 333.476 2.946 10 10 EFCERN Cn1cc(-c2cncc(C(=O)NCc3cccc(Cl)c3O)c2)cn1 ZINC001159033748 1311438626 /nfs/dbraw/zinc/43/86/26/1311438626.db2.gz NIHOPPPNQVQSBA-UHFFFAOYSA-N 0 0 342.786 2.771 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cc(-n2ccnc2)ccc1O ZINC001159041538 1311439796 /nfs/dbraw/zinc/43/97/96/1311439796.db2.gz QYPZEMWLISUXRI-UHFFFAOYSA-N 0 0 343.770 2.867 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC1(CCO)CCCCC1 ZINC000802187275 1311440972 /nfs/dbraw/zinc/44/09/72/1311440972.db2.gz FSYMQOAGOUTRIE-UHFFFAOYSA-N 0 0 343.471 2.947 10 10 EFCERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cc(C)ccc1O ZINC001224862332 1311444351 /nfs/dbraw/zinc/44/43/51/1311444351.db2.gz CSDNIBHDSDBBHV-UHFFFAOYSA-N 0 0 345.355 2.617 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1nccs1)C(F)(F)F ZINC001159069957 1311445243 /nfs/dbraw/zinc/44/52/43/1311445243.db2.gz CMDQBOYQGHHFLZ-LLVKDONJSA-N 0 0 332.303 2.517 10 10 EFCERN CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Nc1ccccc1 ZINC001159536786 1311535235 /nfs/dbraw/zinc/53/52/35/1311535235.db2.gz YDJMCDAQLZMIIV-INIZCTEOSA-N 0 0 328.412 2.893 10 10 EFCERN O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)C1=CC(=O)CS1 ZINC001159611492 1311552404 /nfs/dbraw/zinc/55/24/04/1311552404.db2.gz YHUBKWCSAQADMS-UHFFFAOYSA-N 0 0 328.275 2.996 10 10 EFCERN CCN1CC[C@@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1=O ZINC000802365730 1311596645 /nfs/dbraw/zinc/59/66/45/1311596645.db2.gz SMGKPKMIXSKTMX-QGZVFWFLSA-N 0 0 339.439 2.753 10 10 EFCERN Cc1cc(Br)cc(CN2CCO[C@H](C(F)F)C2)c1O ZINC000802653486 1311887639 /nfs/dbraw/zinc/88/76/39/1311887639.db2.gz MZHIXGKPBLVNKZ-NSHDSACASA-N 0 0 336.176 2.929 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccnc(F)c1 ZINC001162114145 1312050532 /nfs/dbraw/zinc/05/05/32/1312050532.db2.gz KNXLUBUQGSYPKI-CQSZACIVSA-N 0 0 329.419 2.885 10 10 EFCERN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(O)cc1O ZINC001162271905 1312078833 /nfs/dbraw/zinc/07/88/33/1312078833.db2.gz VKMCPRPMCLIMIH-UHFFFAOYSA-N 0 0 326.274 2.750 10 10 EFCERN CCCn1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765713 1312087641 /nfs/dbraw/zinc/08/76/41/1312087641.db2.gz ADAOYNZEHNPDHD-JKSUJKDBSA-N 0 0 343.475 2.937 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(c2ccccc2)=NO1 ZINC001162606917 1312134602 /nfs/dbraw/zinc/13/46/02/1312134602.db2.gz ATFVMNSCBIHHNT-KRWDZBQOSA-N 0 0 347.374 2.750 10 10 EFCERN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc2cccnc2c1O ZINC001162612269 1312135916 /nfs/dbraw/zinc/13/59/16/1312135916.db2.gz FVNGWJXNKZBRII-UHFFFAOYSA-N 0 0 330.775 2.809 10 10 EFCERN CCO[C@H]1C[C@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001230194906 1312203283 /nfs/dbraw/zinc/20/32/83/1312203283.db2.gz HLNYRHVYOKMSRW-QGPMSJSTSA-N 0 0 333.476 2.859 10 10 EFCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccnn2C)cc1 ZINC000902925655 1312214058 /nfs/dbraw/zinc/21/40/58/1312214058.db2.gz FLKUSRCJTPCJIC-QGZVFWFLSA-N 0 0 327.432 2.533 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc(F)c1Br ZINC001163032255 1312230302 /nfs/dbraw/zinc/23/03/02/1312230302.db2.gz ZLLOAYDBTDJMRR-ZETCQYMHSA-N 0 0 342.168 2.833 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000803089520 1312262498 /nfs/dbraw/zinc/26/24/98/1312262498.db2.gz CBUVXRUMGMTZOT-NSHDSACASA-N 0 0 340.379 2.949 10 10 EFCERN Cc1ccc(C(=O)NC[C@H]2CSc3ccccc3O2)c(O)c1O ZINC001163213679 1312265386 /nfs/dbraw/zinc/26/53/86/1312265386.db2.gz UNPYEHRIMYOFIU-NSHDSACASA-N 0 0 331.393 2.689 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000803170168 1312321911 /nfs/dbraw/zinc/32/19/11/1312321911.db2.gz UUCFEOGONBHJGQ-UHFFFAOYSA-N 0 0 349.793 2.641 10 10 EFCERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccccc1O ZINC001230792201 1312345560 /nfs/dbraw/zinc/34/55/60/1312345560.db2.gz PYMSSKFXDOMYIQ-LLVKDONJSA-N 0 0 345.355 2.869 10 10 EFCERN CCOC(CC(=O)NCc1cccc(Br)c1O)OCC ZINC000803214156 1312374183 /nfs/dbraw/zinc/37/41/83/1312374183.db2.gz NYYACGHEMHOWSK-UHFFFAOYSA-N 0 0 346.221 2.560 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2CC2CC2)c([N+](=O)[O-])c1 ZINC001164201178 1312466496 /nfs/dbraw/zinc/46/64/96/1312466496.db2.gz VAYLTYMCCWVEII-ZKKXHLJNSA-N 0 0 346.383 2.786 10 10 EFCERN COc1ccc(CNC(=O)[C@@H](C)Cn2ncc3ccccc32)c(O)c1 ZINC000803291949 1312471966 /nfs/dbraw/zinc/47/19/66/1312471966.db2.gz FATZBTVRGSCXBH-ZDUSSCGKSA-N 0 0 339.395 2.703 10 10 EFCERN COc1c2ccccc2[nH]c1C(=O)NCc1ccc(OC)cc1O ZINC000803291789 1312472242 /nfs/dbraw/zinc/47/22/42/1312472242.db2.gz BRWPABMWSNDYCO-UHFFFAOYSA-N 0 0 326.352 2.821 10 10 EFCERN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000903260647 1312516279 /nfs/dbraw/zinc/51/62/79/1312516279.db2.gz PXXJLWKULPYGBF-AFPNSQJFSA-N 0 0 345.212 2.598 10 10 EFCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293258 1312543717 /nfs/dbraw/zinc/54/37/17/1312543717.db2.gz RJBJWIUYXSEOCL-WMLDXEAASA-N 0 0 343.423 2.823 10 10 EFCERN COC(=O)c1ccc(O)c([C@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327721 1312573326 /nfs/dbraw/zinc/57/33/26/1312573326.db2.gz XWESYVIXLWKTRV-ZBEGNZNMSA-N 0 0 327.384 2.771 10 10 EFCERN COc1ccc(OC)c(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165497190 1312638062 /nfs/dbraw/zinc/63/80/62/1312638062.db2.gz AXJUMQMABDHBTN-UHFFFAOYSA-N 0 0 335.787 2.922 10 10 EFCERN CC(C)C(=O)Nc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001165508416 1312639705 /nfs/dbraw/zinc/63/97/05/1312639705.db2.gz OATQYFGSISLKAN-UHFFFAOYSA-N 0 0 347.802 2.965 10 10 EFCERN COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC001165618122 1312653912 /nfs/dbraw/zinc/65/39/12/1312653912.db2.gz MWYAXJKSZFUVCA-DYLHUKMJSA-N 0 0 343.379 2.624 10 10 EFCERN CO[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000190395295 1315319689 /nfs/dbraw/zinc/31/96/89/1315319689.db2.gz JYQYXOYDMRRGGA-ZACQAIPSSA-N 0 0 348.443 2.650 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H]2COc3c(C)cccc3C2)c1 ZINC001251653694 1315363468 /nfs/dbraw/zinc/36/34/68/1315363468.db2.gz FIOUJGFLRPWSHQ-MRXNPFEDSA-N 0 0 326.396 2.812 10 10 EFCERN CO[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000826862181 1315535670 /nfs/dbraw/zinc/53/56/70/1315535670.db2.gz WQZNVNSPJSLEPI-HKUYNNGSSA-N 0 0 346.471 2.591 10 10 EFCERN Cc1cc(Br)c(O)c(CN2CC[C@@H](O)C(F)(F)C2)c1 ZINC000826957761 1315538976 /nfs/dbraw/zinc/53/89/76/1315538976.db2.gz GGZYWAFNSRGVTA-LLVKDONJSA-N 0 0 336.176 2.665 10 10 EFCERN COc1cccc(CNC(=O)NCCc2ccc(C(C)=O)cc2)c1O ZINC001256573149 1315961242 /nfs/dbraw/zinc/96/12/42/1315961242.db2.gz NUJWKEVDDYNHCJ-UHFFFAOYSA-N 0 0 342.395 2.645 10 10 EFCERN C[C@H]1SCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000827650234 1316009772 /nfs/dbraw/zinc/00/97/72/1316009772.db2.gz PGXMOCVQIHYERJ-LDYMZIIASA-N 0 0 345.262 2.848 10 10 EFCERN CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000827722267 1316012639 /nfs/dbraw/zinc/01/26/39/1316012639.db2.gz DXEHKMBUQRJMIE-UHFFFAOYSA-N 0 0 325.409 2.519 10 10 EFCERN Oc1ccc(Br)cc1CNC(=S)NCC1CCC1 ZINC001257405693 1316063183 /nfs/dbraw/zinc/06/31/83/1316063183.db2.gz TYYCWIHUIMMCSX-UHFFFAOYSA-N 0 0 329.263 2.919 10 10 EFCERN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001299570226 1316223278 /nfs/dbraw/zinc/22/32/78/1316223278.db2.gz IGXDQTJEMXGBGG-UHFFFAOYSA-N 0 0 341.285 2.812 10 10 EFCERN COc1ccc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cc1F ZINC001299573193 1316230018 /nfs/dbraw/zinc/23/00/18/1316230018.db2.gz HZZHFSWVMBEAFJ-UHFFFAOYSA-N 0 0 347.342 2.525 10 10 EFCERN O=C(NCc1ccc(O)cc1O)c1csc(-c2ncccc2F)n1 ZINC001299573331 1316230289 /nfs/dbraw/zinc/23/02/89/1316230289.db2.gz JTMDPRVKJJWELY-UHFFFAOYSA-N 0 0 345.355 2.685 10 10 EFCERN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(O)cc1O ZINC001299574065 1316230430 /nfs/dbraw/zinc/23/04/30/1316230430.db2.gz OSFGKBVDNHSTKQ-NSHDSACASA-N 0 0 331.343 2.762 10 10 EFCERN C[S@@](=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299722106 1316377999 /nfs/dbraw/zinc/37/79/99/1316377999.db2.gz YWXFYROEGPATJF-XMMPIXPASA-N 0 0 340.404 2.608 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)c2ccccc21 ZINC001299724685 1316379622 /nfs/dbraw/zinc/37/96/22/1316379622.db2.gz HATJDZHFLUORFF-MRXNPFEDSA-N 0 0 332.359 2.927 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)c1cc(C(F)(F)F)n[nH]1 ZINC001299726036 1316381429 /nfs/dbraw/zinc/38/14/29/1316381429.db2.gz PWZVLBXUFSVMPY-UHFFFAOYSA-N 0 0 336.273 2.612 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC001261260915 1316399494 /nfs/dbraw/zinc/39/94/94/1316399494.db2.gz BTUSDUQYKMGCLY-HUUCEWRRSA-N 0 0 342.361 2.932 10 10 EFCERN C[C@@H]1CC(CNC(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1 ZINC001261672543 1316424623 /nfs/dbraw/zinc/42/46/23/1316424623.db2.gz WKJHVZKEGGJNOU-KBPBESRZSA-N 0 0 332.444 2.539 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2COCC3)c1 ZINC001261730515 1316427708 /nfs/dbraw/zinc/42/77/08/1316427708.db2.gz ASOOLDBVBRRAQG-LBPRGKRZSA-N 0 0 327.380 2.965 10 10 EFCERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001261787999 1316430473 /nfs/dbraw/zinc/43/04/73/1316430473.db2.gz INCFFDGNYKJCHH-OIPACUDHSA-N 0 0 331.460 2.898 10 10 EFCERN Cc1cc(C)cc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001261864077 1316434768 /nfs/dbraw/zinc/43/47/68/1316434768.db2.gz UVKSECSLJUPHJC-UHFFFAOYSA-N 0 0 338.407 2.510 10 10 EFCERN COC(=O)c1sccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001263732709 1316558765 /nfs/dbraw/zinc/55/87/65/1316558765.db2.gz OCOXBWUJBIJPIM-UHFFFAOYSA-N 0 0 332.425 2.839 10 10 EFCERN COc1ccc(N2CC[C@H](NC(=O)CCc3cccc(O)c3)C2)cc1 ZINC001263861403 1316569651 /nfs/dbraw/zinc/56/96/51/1316569651.db2.gz ZRDPNVISDWSAMD-INIZCTEOSA-N 0 0 340.423 2.729 10 10 EFCERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC001264287048 1316602745 /nfs/dbraw/zinc/60/27/45/1316602745.db2.gz ILUNQGIVUKFESG-OAHLLOKOSA-N 0 0 326.444 2.782 10 10 EFCERN CCC(=O)N(CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001281281048 1318140657 /nfs/dbraw/zinc/14/06/57/1318140657.db2.gz DVMVDVAJYRCAQZ-UHFFFAOYSA-N 0 0 347.419 2.568 10 10 EFCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cn[nH]n2)c1 ZINC001319362600 1328861590 /nfs/dbraw/zinc/86/15/90/1328861590.db2.gz UNORXKHHGBRXRZ-UHFFFAOYSA-N 0 0 329.791 2.796 10 10 EFCERN CCCC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001285325869 1320841444 /nfs/dbraw/zinc/84/14/44/1320841444.db2.gz RRSZDGXULDMEBC-CQSZACIVSA-N 0 0 347.419 2.520 10 10 EFCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001290719733 1321944783 /nfs/dbraw/zinc/94/47/83/1321944783.db2.gz YGSAPTZUTHHLOG-FUHWJXTLSA-N 0 0 344.459 2.990 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(N2CCCC2=O)ccc1F ZINC001291849266 1322017325 /nfs/dbraw/zinc/01/73/25/1322017325.db2.gz DIOHRYBSZPEUKD-UHFFFAOYSA-N 0 0 344.342 2.545 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2cccc3nsnc32)cc1F ZINC001292283440 1322051418 /nfs/dbraw/zinc/05/14/18/1322051418.db2.gz VPSUUEWUFOUXMD-UHFFFAOYSA-N 0 0 344.415 2.755 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](OC)C(C)C ZINC001292841275 1322133158 /nfs/dbraw/zinc/13/31/58/1322133158.db2.gz PDYDCQGETZZKNE-MRXNPFEDSA-N 0 0 332.448 2.854 10 10 EFCERN CCc1noc(C)c1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001293191952 1322206150 /nfs/dbraw/zinc/20/61/50/1322206150.db2.gz RXQWJJDUHUZQEX-UHFFFAOYSA-N 0 0 341.415 2.836 10 10 EFCERN COc1ccccc1C1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001293498428 1322268119 /nfs/dbraw/zinc/26/81/19/1322268119.db2.gz DMBVXVOXIIVBOB-UHFFFAOYSA-N 0 0 327.380 2.845 10 10 EFCERN COc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293918281 1322379966 /nfs/dbraw/zinc/37/99/66/1322379966.db2.gz MJTXQEUTHGJLAG-CQSZACIVSA-N 0 0 327.380 2.665 10 10 EFCERN Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001294202418 1322429935 /nfs/dbraw/zinc/42/99/35/1322429935.db2.gz SCUYCNNBABGFIO-SFHVURJKSA-N 0 0 327.380 2.549 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(P(C)(C)=O)cc2)c1O ZINC001294937397 1322603183 /nfs/dbraw/zinc/60/31/83/1322603183.db2.gz PFDCRRTZAIADFD-UHFFFAOYSA-N 0 0 333.324 2.579 10 10 EFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3cnn(C)c3)o2)c1 ZINC001294937335 1322603214 /nfs/dbraw/zinc/60/32/14/1322603214.db2.gz NLOYKGIVWGACLU-LLVKDONJSA-N 0 0 341.367 2.885 10 10 EFCERN COC(=O)c1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001294937759 1322603303 /nfs/dbraw/zinc/60/33/03/1322603303.db2.gz RVZYCUMVBRIKOT-NSHDSACASA-N 0 0 329.352 2.678 10 10 EFCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(-c2ccccc2)n1 ZINC001295039576 1322622664 /nfs/dbraw/zinc/62/26/64/1322622664.db2.gz YSDVFCUCBZDZCI-LLVKDONJSA-N 0 0 339.351 2.568 10 10 EFCERN Cc1sc(C(N)=O)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295063478 1322627564 /nfs/dbraw/zinc/62/75/64/1322627564.db2.gz BEIFVRUSXFRZPP-UHFFFAOYSA-N 0 0 331.357 2.570 10 10 EFCERN CCc1nocc1/C=C1\OCCn2c(C=O)c(Br)nc21 ZINC000901575178 1322642019 /nfs/dbraw/zinc/64/20/19/1322642019.db2.gz MTGBOBFKGGPNLN-WZUFQYTHSA-N 0 0 338.161 2.537 10 10 EFCERN Cc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1[C@@H](C)O ZINC001295212761 1322654107 /nfs/dbraw/zinc/65/41/07/1322654107.db2.gz SPVYLPVVKGISQF-LLVKDONJSA-N 0 0 341.371 2.536 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC001295274956 1322669611 /nfs/dbraw/zinc/66/96/11/1322669611.db2.gz AWVHKWYVLJGFAM-SFHVURJKSA-N 0 0 346.471 2.939 10 10 EFCERN COc1cccc2[nH]c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc21 ZINC001296246075 1322873054 /nfs/dbraw/zinc/87/30/54/1322873054.db2.gz KFVBXPIXJZQNMF-LLVKDONJSA-N 0 0 340.379 2.949 10 10 EFCERN CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]1 ZINC001296247802 1322873257 /nfs/dbraw/zinc/87/32/57/1322873257.db2.gz XROSYNJUIOKYAG-LLVKDONJSA-N 0 0 330.384 2.683 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1 ZINC001296357828 1322893891 /nfs/dbraw/zinc/89/38/91/1322893891.db2.gz GNFOEERPIKNOEZ-UHFFFAOYSA-N 0 0 338.367 2.756 10 10 EFCERN COc1ccc(CNC(=O)c2ncc3cc(Cl)ccn32)c(O)c1 ZINC001296967491 1323067003 /nfs/dbraw/zinc/06/70/03/1323067003.db2.gz CTCJGFYFQGWGDS-UHFFFAOYSA-N 0 0 331.759 2.632 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001297562125 1323273031 /nfs/dbraw/zinc/27/30/31/1323273031.db2.gz CBSKVFDBLFVPPB-UHFFFAOYSA-N 0 0 345.399 2.696 10 10 EFCERN CCCC[C@@H](O)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001299769592 1323706306 /nfs/dbraw/zinc/70/63/06/1323706306.db2.gz SGTJITNOIIWFLV-FUHWJXTLSA-N 0 0 348.487 2.969 10 10 EFCERN COc1cc(C(=O)NCc2cc(C)ccc2O)c([N+](=O)[O-])cc1OC ZINC001301046696 1324519913 /nfs/dbraw/zinc/51/99/13/1324519913.db2.gz HUXMZSBPSRUHCQ-UHFFFAOYSA-N 0 0 346.339 2.556 10 10 EFCERN C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)c1ccccc1O ZINC001302538288 1324579746 /nfs/dbraw/zinc/57/97/46/1324579746.db2.gz MCZRMRQGBPMGPR-QMMMGPOBSA-N 0 0 337.173 2.746 10 10 EFCERN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3Cc4cccc(O)c4C3)c2N1 ZINC001302789763 1324587622 /nfs/dbraw/zinc/58/76/22/1324587622.db2.gz ZOHUOIMDKXSPHT-NOZJJQNGSA-N 0 0 348.353 2.755 10 10 EFCERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccc(O)c1O ZINC001303195098 1324597396 /nfs/dbraw/zinc/59/73/96/1324597396.db2.gz PQIISYGDGDFNDS-UHFFFAOYSA-N 0 0 336.731 2.518 10 10 EFCERN CC(=O)c1ccc(OCCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001303223535 1324598247 /nfs/dbraw/zinc/59/82/47/1324598247.db2.gz TZMJVOWXMSEJFQ-UHFFFAOYSA-N 0 0 343.379 2.776 10 10 EFCERN CCOc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OCC ZINC001303223584 1324599083 /nfs/dbraw/zinc/59/90/83/1324599083.db2.gz WCLQJIMXYZAJPE-UHFFFAOYSA-N 0 0 331.368 2.825 10 10 EFCERN O=C(NCc1c(O)cccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001303878568 1324624157 /nfs/dbraw/zinc/62/41/57/1324624157.db2.gz NDHVVATXBLDCIL-UHFFFAOYSA-N 0 0 329.287 2.851 10 10 EFCERN COC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001303946085 1324627412 /nfs/dbraw/zinc/62/74/12/1324627412.db2.gz RIFRUNXCMZTZGQ-AWEZNQCLSA-N 0 0 335.400 2.587 10 10 EFCERN Cc1cc(Br)oc1C(=O)NCc1c(O)cccc1O ZINC001304050091 1324634508 /nfs/dbraw/zinc/63/45/08/1324634508.db2.gz IVKIHKQDPXMANO-UHFFFAOYSA-N 0 0 326.146 2.692 10 10 EFCERN Cc1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001304237813 1324646853 /nfs/dbraw/zinc/64/68/53/1324646853.db2.gz DEHRSRSBWJPZRZ-CQSZACIVSA-N 0 0 345.516 2.951 10 10 EFCERN COC(=O)COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001305069904 1324671140 /nfs/dbraw/zinc/67/11/40/1324671140.db2.gz UIDFQHTWCXYLLM-UHFFFAOYSA-N 0 0 349.770 2.527 10 10 EFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000750049964 1324675598 /nfs/dbraw/zinc/67/55/98/1324675598.db2.gz RPTITSRCCLSTLK-IYNGYCSASA-N 0 0 344.327 2.506 10 10 EFCERN CCC[C@](C)(O)Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001306537590 1324713317 /nfs/dbraw/zinc/71/33/17/1324713317.db2.gz JPFPLOHNOLOMKO-SFHVURJKSA-N 0 0 332.448 2.734 10 10 EFCERN COC(=O)/C(C)=C/COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930782 1324738190 /nfs/dbraw/zinc/73/81/90/1324738190.db2.gz KCRDKUIGOATJBJ-YRNVUSSQSA-N 0 0 346.408 2.592 10 10 EFCERN CCOC(=O)c1oc(NCc2c(O)cccc2O)nc1C(F)(F)F ZINC001307219452 1324751689 /nfs/dbraw/zinc/75/16/89/1324751689.db2.gz ZULJEDAZRRLGTM-UHFFFAOYSA-N 0 0 346.261 2.893 10 10 EFCERN CC[C@H](C)C[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)[O-] ZINC000901676068 1324753708 /nfs/dbraw/zinc/75/37/08/1324753708.db2.gz VOXVZQHOSNDSJY-YOEHRIQHSA-N 0 0 345.443 2.919 10 10 EFCERN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752601715 1324760277 /nfs/dbraw/zinc/76/02/77/1324760277.db2.gz VNIXHDTUOCAQSI-FLIBITNWSA-N 0 0 328.324 2.726 10 10 EFCERN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901967670 1324762871 /nfs/dbraw/zinc/76/28/71/1324762871.db2.gz MWXCSARDQLQRND-KBPBESRZSA-N 0 0 330.350 2.756 10 10 EFCERN COC(=O)/C=C\c1ccc(N2CCSC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000752977648 1324771793 /nfs/dbraw/zinc/77/17/93/1324771793.db2.gz HACOAMJXVIQGNW-RNZFLTOJSA-N 0 0 336.413 2.970 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C[C@H]1COc2ccccc2O1 ZINC001307648440 1324776041 /nfs/dbraw/zinc/77/60/41/1324776041.db2.gz NYGQWEMASKFAOH-HNNXBMFYSA-N 0 0 326.396 2.791 10 10 EFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c1O ZINC001307878737 1324784018 /nfs/dbraw/zinc/78/40/18/1324784018.db2.gz XCQCRGJNPSWATC-GARJFASQSA-N 0 0 338.835 2.688 10 10 EFCERN COc1ccc(N2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)c(OC)c1 ZINC001308014340 1324789092 /nfs/dbraw/zinc/78/90/92/1324789092.db2.gz NQHLOHIBFOLTBB-MRXNPFEDSA-N 0 0 334.460 2.783 10 10 EFCERN Cc1cc(C[N@@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022497 1324789899 /nfs/dbraw/zinc/78/98/99/1324789899.db2.gz NIFRHRPJSJEFHE-MRXNPFEDSA-N 0 0 343.393 2.704 10 10 EFCERN CCOc1ccc(N2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC001320624010 1329179567 /nfs/dbraw/zinc/17/95/67/1329179567.db2.gz AHPNIKJZOLKQJE-AWEZNQCLSA-N 0 0 332.366 2.521 10 10 EFCERN COC1(C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])CCC1 ZINC000904020187 1324859719 /nfs/dbraw/zinc/85/97/19/1324859719.db2.gz FGWSXGBPFSTDSJ-UKINESCASA-N 0 0 332.444 2.768 10 10 EFCERN COC1([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])CCC1 ZINC000904051176 1324862237 /nfs/dbraw/zinc/86/22/37/1324862237.db2.gz SILMLTNGAGIPOK-QGZVFWFLSA-N 0 0 332.444 2.789 10 10 EFCERN CC[C@H]([NH2+]CC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062880 1324862666 /nfs/dbraw/zinc/86/26/66/1324862666.db2.gz WWNFVXAPVTXUNP-YVACAVLKSA-N 0 0 328.416 2.928 10 10 EFCERN C[C@@H](NC(=O)NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC001312732697 1324992919 /nfs/dbraw/zinc/99/29/19/1324992919.db2.gz ZKWBLSIEILPMFA-SECBINFHSA-N 0 0 340.305 2.761 10 10 EFCERN COc1cccc(CNC(=O)NCc2cc(F)cnc2Cl)c1O ZINC001312754216 1324993654 /nfs/dbraw/zinc/99/36/54/1324993654.db2.gz KNYKVWBXXCIONZ-UHFFFAOYSA-N 0 0 339.754 2.588 10 10 EFCERN CC[C@@H](C)CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001312976543 1325002889 /nfs/dbraw/zinc/00/28/89/1325002889.db2.gz NHFBTKXTXOUQOG-OAHLLOKOSA-N 0 0 349.475 2.972 10 10 EFCERN Cc1cc(CNC(=O)N2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC001313131220 1325007265 /nfs/dbraw/zinc/00/72/65/1325007265.db2.gz FJIDQNXRXTWCFO-UHFFFAOYSA-N 0 0 340.471 2.860 10 10 EFCERN Cc1cc(CNC(=O)N[C@H]2CCC[C@@H]2O)c(C)n1-c1ccccc1 ZINC001313132807 1325007339 /nfs/dbraw/zinc/00/73/39/1325007339.db2.gz KZMXWQDLGUWFCX-ROUUACIJSA-N 0 0 327.428 2.807 10 10 EFCERN COC(=O)CC(C)(C)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001313298026 1325012519 /nfs/dbraw/zinc/01/25/19/1325012519.db2.gz BOZWEYVDFNLJSW-UHFFFAOYSA-N 0 0 348.443 2.660 10 10 EFCERN C[C@H]1C[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001321884595 1329414734 /nfs/dbraw/zinc/41/47/34/1329414734.db2.gz NHOXLHUPBITPAF-GOEBONIOSA-N 0 0 344.455 2.826 10 10 EFCERN CCOc1ccc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC001323324737 1329535043 /nfs/dbraw/zinc/53/50/43/1329535043.db2.gz VGPMVRXYWHBCSK-UHFFFAOYSA-N 0 0 328.372 2.715 10 10 EFCERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC001324471294 1329631053 /nfs/dbraw/zinc/63/10/53/1329631053.db2.gz KNHAISQCSBNFBQ-KSSFIOAISA-N 0 0 331.343 2.706 10 10 EFCERN Cc1cc(C(=O)CN2CC[C@@]23CCOC3)c(C)n1-c1ccc(F)cn1 ZINC001326212682 1329739192 /nfs/dbraw/zinc/73/91/92/1329739192.db2.gz AHWMYZUWJJRQKZ-IBGZPJMESA-N 0 0 343.402 2.676 10 10 EFCERN C[C@@H]1COC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327659498 1330505278 /nfs/dbraw/zinc/50/52/78/1330505278.db2.gz CHPZVVJUPRWMPY-CYBMUJFWSA-N 0 0 335.423 2.745 10 10 EFCERN C[C@H]1COC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327659499 1330505585 /nfs/dbraw/zinc/50/55/85/1330505585.db2.gz CHPZVVJUPRWMPY-ZDUSSCGKSA-N 0 0 335.423 2.745 10 10 EFCERN CCC(C)(C)[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001327901909 1330528024 /nfs/dbraw/zinc/52/80/24/1330528024.db2.gz JOVBQSVEZDUBRB-HNNXBMFYSA-N 0 0 345.487 2.844 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)C3(OCC)CCC3)CC2)cc1 ZINC001328638067 1330611233 /nfs/dbraw/zinc/61/12/33/1330611233.db2.gz OMRDSDJCZIQXMS-UHFFFAOYSA-N 0 0 332.444 2.693 10 10 EFCERN Cn1nccc1[C@@H]1COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001328669727 1330613718 /nfs/dbraw/zinc/61/37/18/1330613718.db2.gz FNSZQWBCIMRZKJ-IBGZPJMESA-N 0 0 326.444 2.594 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC12CC2 ZINC001328865379 1330641642 /nfs/dbraw/zinc/64/16/42/1330641642.db2.gz KAZWMWRWCFELRQ-MRXNPFEDSA-N 0 0 344.455 2.827 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC001329316743 1330693513 /nfs/dbraw/zinc/69/35/13/1330693513.db2.gz PRKOTHBYIRTYBV-QUCCMNQESA-N 0 0 344.455 2.693 10 10 EFCERN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001329340025 1330695944 /nfs/dbraw/zinc/69/59/44/1330695944.db2.gz NHIDJXCNPVSNNF-CQSZACIVSA-N 0 0 338.407 2.762 10 10 EFCERN Cc1ccccc1[C@H](C)N(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001329904398 1330747998 /nfs/dbraw/zinc/74/79/98/1330747998.db2.gz IWBWHQWXAJKDLC-HNNXBMFYSA-N 0 0 340.423 2.879 10 10 EFCERN CN1CCCc2cc(CNC(=O)[C@H]3C[C@@]3(C)Br)ccc21 ZINC001331332247 1330823401 /nfs/dbraw/zinc/82/34/01/1330823401.db2.gz CCAMIQVWGPQPHS-CZUORRHYSA-N 0 0 337.261 2.859 10 10 EFCERN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccns1 ZINC001331503552 1330844588 /nfs/dbraw/zinc/84/45/88/1330844588.db2.gz IZDCKAIUMSDTSR-ZDUSSCGKSA-N 0 0 346.456 2.540 10 10 EFCERN CN(C)c1ccc(CNC(=O)[C@@H]2COc3cc(F)ccc3C2)cc1 ZINC001331510999 1330845862 /nfs/dbraw/zinc/84/58/62/1330845862.db2.gz OJWAFAWOXAIPAY-HNNXBMFYSA-N 0 0 328.387 2.759 10 10 EFCERN Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC001331771065 1330874011 /nfs/dbraw/zinc/87/40/11/1330874011.db2.gz NXWYFDURDDFNJN-NSHDSACASA-N 0 0 338.411 2.775 10 10 EFCERN CN(C)c1ccc(/C=C\C[NH2+][C@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001331981681 1330900498 /nfs/dbraw/zinc/90/04/98/1330900498.db2.gz IHQLCFHJNKXNPU-MJSXRHKHSA-N 0 0 331.441 2.508 10 10 EFCERN CCC[C@@H](C)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001332184135 1330936098 /nfs/dbraw/zinc/93/60/98/1330936098.db2.gz HHGVUFXWRIMKMR-MRXNPFEDSA-N 0 0 345.487 2.846 10 10 EFCERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCCN1Cc1ccncc1 ZINC001333661725 1331189851 /nfs/dbraw/zinc/18/98/51/1331189851.db2.gz WQYCPSXNSMWRBU-KRWDZBQOSA-N 0 0 343.402 2.597 10 10 EFCERN O=C(NCc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)S2 ZINC001333995699 1331239783 /nfs/dbraw/zinc/23/97/83/1331239783.db2.gz WSAHUAMPYSICEG-ZNXRZULTSA-N 0 0 346.496 2.814 10 10 EFCERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001334176157 1331260844 /nfs/dbraw/zinc/26/08/44/1331260844.db2.gz IKXBFQPUIMLAJX-DZUCGIPZSA-N 0 0 346.446 2.961 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C3CC3)C2=O)cc1 ZINC001334839182 1331315676 /nfs/dbraw/zinc/31/56/76/1331315676.db2.gz AATBSWCGGHEHPV-SFHVURJKSA-N 0 0 343.471 2.550 10 10 EFCERN CO[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@](C)(CO)C1 ZINC001335782994 1331401837 /nfs/dbraw/zinc/40/18/37/1331401837.db2.gz IKOFXMYWTKGOID-ICSRJNTNSA-N 0 0 342.439 2.706 10 10 EFCERN COC(=O)c1cc(OCc2cn(C)nc2C(F)F)ccc1N(C)C ZINC001335816322 1331405834 /nfs/dbraw/zinc/40/58/34/1331405834.db2.gz BHKFKXHGKFWQHV-UHFFFAOYSA-N 0 0 339.342 2.789 10 10 EFCERN COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001336157692 1331440889 /nfs/dbraw/zinc/44/08/89/1331440889.db2.gz RHZDLGMYAKHZDN-YHTRPRNISA-N 0 0 331.343 2.754 10 10 EFCERN Cc1cc(C(=O)N(C)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC001340039290 1332131515 /nfs/dbraw/zinc/13/15/15/1332131515.db2.gz JUIUTMQONKZWHN-UHFFFAOYSA-N 0 0 340.832 2.779 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)CC(C)(C)COC)CC2)cc1 ZINC001345068534 1332506773 /nfs/dbraw/zinc/50/67/73/1332506773.db2.gz XGEVWJMTJUWBTA-UHFFFAOYSA-N 0 0 334.460 2.797 10 10 EFCERN C[C@]12COC[C@H]1CN(c1nnc(C3SC=CC3=O)n1CC1CC1)C2 ZINC001345200839 1332519820 /nfs/dbraw/zinc/51/98/20/1332519820.db2.gz FUGRVSOVNIXUBF-PXAZEXFGSA-N 0 0 346.456 2.595 10 10 EFCERN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1 ZINC001346330486 1332626610 /nfs/dbraw/zinc/62/66/10/1332626610.db2.gz NGVOYCZVZOHZKD-CQSZACIVSA-N 0 0 331.460 2.636 10 10 EFCERN C[C@@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC001346765265 1332685077 /nfs/dbraw/zinc/68/50/77/1332685077.db2.gz VDPZDSKTUOLJMD-CHWSQXEVSA-N 0 0 327.432 2.502 10 10 EFCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1cccc(O)c1O ZINC001347234572 1332726544 /nfs/dbraw/zinc/72/65/44/1332726544.db2.gz PFBXMCYWKWQIRS-LLVKDONJSA-N 0 0 335.791 2.653 10 10 EFCERN COc1ccc(CNC(=O)[C@@H](CCCO)c2ccccc2)c(O)c1 ZINC001347531578 1332753041 /nfs/dbraw/zinc/75/30/41/1332753041.db2.gz BQTASYIPYMXPID-KRWDZBQOSA-N 0 0 329.396 2.573 10 10 EFCERN CCCOc1ccc(C(=O)NCc2cccc(O)c2O)c(OC)c1 ZINC001347541145 1332754128 /nfs/dbraw/zinc/75/41/28/1332754128.db2.gz CVTXBKRWJNRWRB-UHFFFAOYSA-N 0 0 331.368 2.825 10 10 EFCERN CC(C)(C)OC(=O)c1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001347542952 1332754151 /nfs/dbraw/zinc/75/41/51/1332754151.db2.gz UPUUQJQRFHTCJN-UHFFFAOYSA-N 0 0 343.379 2.983 10 10 EFCERN CN(C)c1ccc(CN(C(=O)Nc2ccc[n+]([O-])c2)C2CC2)cc1 ZINC001347837562 1332777139 /nfs/dbraw/zinc/77/71/39/1332777139.db2.gz WEMYHKZGCLOGRV-UHFFFAOYSA-N 0 0 326.400 2.583 10 10 EFCERN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1cccc(O)c1O ZINC001348036494 1332794934 /nfs/dbraw/zinc/79/49/34/1332794934.db2.gz QCCIJPUGNAWXEO-UHFFFAOYSA-N 0 0 339.391 2.866 10 10 EFCERN Cc1cc(C(=O)NC[C@H](O)c2c[nH]cn2)c(C)n1-c1ccccc1C ZINC001348153875 1332805015 /nfs/dbraw/zinc/80/50/15/1332805015.db2.gz DRQJHXYXXHGTMH-SFHVURJKSA-N 0 0 338.411 2.589 10 10 EFCERN CC(C)(C)OC(=O)[C@H](C(=O)NCc1cccc(O)c1O)C(C)(C)C ZINC001349080020 1332903278 /nfs/dbraw/zinc/90/32/78/1332903278.db2.gz WWULNBNLIIEZDY-ZDUSSCGKSA-N 0 0 337.416 2.718 10 10 EFCERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cccc(O)c1O)C(C)(C)C ZINC001349080019 1332903367 /nfs/dbraw/zinc/90/33/67/1332903367.db2.gz WWULNBNLIIEZDY-CYBMUJFWSA-N 0 0 337.416 2.718 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001349633686 1332978720 /nfs/dbraw/zinc/97/87/20/1332978720.db2.gz WGQCGSSPLPITAI-CRAIPNDOSA-N 0 0 337.467 2.918 10 10 EFCERN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CC2CCC1CC2 ZINC001349759956 1332994279 /nfs/dbraw/zinc/99/42/79/1332994279.db2.gz HRAKAJZEQXKTIN-ARAOSMHQSA-N 0 0 344.455 2.682 10 10 EFCERN C[C@@H](CC(=O)NCc1cccc(O)c1O)N1CCc2ccccc21 ZINC001350300599 1333061253 /nfs/dbraw/zinc/06/12/53/1333061253.db2.gz UOAIMEFWUOIJNN-ZDUSSCGKSA-N 0 0 326.396 2.555 10 10 EFCERN COCC1(C2CCC2)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001350480259 1333088152 /nfs/dbraw/zinc/08/81/52/1333088152.db2.gz QJGBDICCRHTCCL-UHFFFAOYSA-N 0 0 349.450 2.850 10 10 EFCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1COCC2 ZINC001350821503 1333137839 /nfs/dbraw/zinc/13/78/39/1333137839.db2.gz CXDRGZAGCRAMHR-UHFFFAOYSA-N 0 0 338.407 2.865 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2nccn2c1 ZINC001351176834 1333190141 /nfs/dbraw/zinc/19/01/41/1333190141.db2.gz IRYVSKFXARGNKH-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351672736 1333266695 /nfs/dbraw/zinc/26/66/95/1333266695.db2.gz GVYTXWVUOOJBEV-GOSISDBHSA-N 0 0 343.471 2.504 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2ncccn2n1 ZINC001351672429 1333267208 /nfs/dbraw/zinc/26/72/08/1333267208.db2.gz FAEAZXFDGRAVQM-UHFFFAOYSA-N 0 0 335.411 2.602 10 10 EFCERN CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1F ZINC001351738921 1333278160 /nfs/dbraw/zinc/27/81/60/1333278160.db2.gz UOOULVLPVQCLFB-UHFFFAOYSA-N 0 0 349.337 2.798 10 10 EFCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)COC(=O)N3)cc1F ZINC001351738922 1333278652 /nfs/dbraw/zinc/27/86/52/1333278652.db2.gz UPGGZRAAKJJECZ-UHFFFAOYSA-N 0 0 343.358 2.884 10 10 EFCERN CCN(CC)c1ccc(CNC(=O)NCC2(COC)CC2)cc1F ZINC000847313957 1333530605 /nfs/dbraw/zinc/53/06/05/1333530605.db2.gz NZLQLIZWECMZKC-UHFFFAOYSA-N 0 0 337.439 2.898 10 10 EFCERN Cc1c(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001352614325 1333631822 /nfs/dbraw/zinc/63/18/22/1333631822.db2.gz AHJXMVGIVLARCF-UHFFFAOYSA-N 0 0 340.471 2.920 10 10 EFCERN COc1ccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000847394311 1333653963 /nfs/dbraw/zinc/65/39/63/1333653963.db2.gz MEVHKNPMFMRNBO-SJORKVTESA-N 0 0 334.416 2.548 10 10 EFCERN C[C@H](CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)NC(N)=O ZINC000847398823 1333659849 /nfs/dbraw/zinc/65/98/49/1333659849.db2.gz LADALWDNGMBEDA-CQSZACIVSA-N 0 0 346.475 2.519 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(n1)OCCO2 ZINC000847398641 1333660015 /nfs/dbraw/zinc/66/00/15/1333660015.db2.gz GQJHSXCEXSFKJP-UHFFFAOYSA-N 0 0 341.411 2.581 10 10 EFCERN CC[C@H](C)c1nc(C)c(CC(=O)NCc2cccc(O)c2O)c(C)n1 ZINC001352669197 1333661679 /nfs/dbraw/zinc/66/16/79/1333661679.db2.gz HTNFKADSMZKSKU-NSHDSACASA-N 0 0 343.427 2.877 10 10 EFCERN CC(C)(C)OC(=O)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000847590333 1333959505 /nfs/dbraw/zinc/95/95/05/1333959505.db2.gz WUEVLERPFONJRW-UHFFFAOYSA-N 0 0 337.416 2.659 10 10 EFCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cc1 ZINC001300228267 1334012386 /nfs/dbraw/zinc/01/23/86/1334012386.db2.gz NUSVSAGXMKZDCA-HNNXBMFYSA-N 0 0 330.388 2.784 10 10 EFCERN CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001354683508 1334458750 /nfs/dbraw/zinc/45/87/50/1334458750.db2.gz ATDIVNLQZXBUFL-LLVKDONJSA-N 0 0 347.419 2.520 10 10 EFCERN CO[C@](C)(CO)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000848263111 1334536450 /nfs/dbraw/zinc/53/64/50/1334536450.db2.gz PGEOYIRFAPKDQA-IBGZPJMESA-N 0 0 330.428 2.530 10 10 EFCERN Nc1ccc(CCNC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000848598943 1334810367 /nfs/dbraw/zinc/81/03/67/1334810367.db2.gz VIZRBNJJZBOJGZ-KBPBESRZSA-N 0 0 345.365 2.611 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)[C@@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000848777154 1334891605 /nfs/dbraw/zinc/89/16/05/1334891605.db2.gz NXHVUMYFHQXZJQ-ZEBCKKTISA-N 0 0 346.343 2.670 10 10 EFCERN CC(=O)C(=O)COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000848820386 1334921651 /nfs/dbraw/zinc/92/16/51/1334921651.db2.gz OBQNVGWXTMDOHI-UHFFFAOYSA-N 0 0 328.286 2.828 10 10 EFCERN COCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000848921409 1334987607 /nfs/dbraw/zinc/98/76/07/1334987607.db2.gz AODWXTIEEMFPGH-GFCCVEGCSA-N 0 0 341.757 2.726 10 10 EFCERN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923006 1334989929 /nfs/dbraw/zinc/98/99/29/1334989929.db2.gz BOPCTXGJKCRJHZ-UTUOFQBUSA-N 0 0 330.831 2.772 10 10 EFCERN COC(=O)c1coc(/C=C/C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001356250180 1335001338 /nfs/dbraw/zinc/00/13/38/1335001338.db2.gz BFSIVTPTPNFYTP-FNORWQNLSA-N 0 0 346.358 2.601 10 10 EFCERN Cc1c(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001356265338 1335005323 /nfs/dbraw/zinc/00/53/23/1335005323.db2.gz DYGLDRBPHASNDY-UHFFFAOYSA-N 0 0 326.444 2.530 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(F)(F)F)nn1C ZINC000935945604 1335464691 /nfs/dbraw/zinc/46/46/91/1335464691.db2.gz DFPCGCBRYMNWAI-UHFFFAOYSA-N 0 0 348.321 2.560 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3cccs3)C2)cc1 ZINC000849225501 1335571607 /nfs/dbraw/zinc/57/16/07/1335571607.db2.gz VQKSBXVNZCHEQX-CQSZACIVSA-N 0 0 345.468 2.877 10 10 EFCERN Cn1ncc(C(F)(F)F)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000849242310 1335575716 /nfs/dbraw/zinc/57/57/16/1335575716.db2.gz CXWQJLAEBJBJRJ-XFFZJAGNSA-N 0 0 344.362 2.895 10 10 EFCERN COc1ccc(N2CC[C@@H](NC(=S)NCc3cccs3)C2)cc1 ZINC000849270444 1335584637 /nfs/dbraw/zinc/58/46/37/1335584637.db2.gz DGOZZMIWLFKEQZ-CYBMUJFWSA-N 0 0 347.509 3.000 10 10 EFCERN COc1ccc(N2CC[C@H](N3C(=O)[C@H](CC(C)C)N(C)C3=O)C2)cc1 ZINC000849357939 1335598028 /nfs/dbraw/zinc/59/80/28/1335598028.db2.gz QWHZXZWGNFGXDG-RDJZCZTQSA-N 0 0 345.443 2.583 10 10 EFCERN CCCN1C(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C(=O)[C@H]1CC ZINC000849357883 1335598041 /nfs/dbraw/zinc/59/80/41/1335598041.db2.gz QKNBWVSKGDVLJY-NVXWUHKLSA-N 0 0 345.443 2.727 10 10 EFCERN CC[C@H](C)C[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358105 1335598043 /nfs/dbraw/zinc/59/80/43/1335598043.db2.gz SKOCKJHPMIVFOL-YSVLISHTSA-N 0 0 345.443 2.631 10 10 EFCERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000849368568 1335600463 /nfs/dbraw/zinc/60/04/63/1335600463.db2.gz DVOHENFKUURUNO-NSHDSACASA-N 0 0 338.395 2.761 10 10 EFCERN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3C)C2)cc1 ZINC000849416756 1335610592 /nfs/dbraw/zinc/61/05/92/1335610592.db2.gz WKOLDXJTHQMVTI-OAHLLOKOSA-N 0 0 346.452 2.561 10 10 EFCERN CCC(CC)CS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416218 1335610883 /nfs/dbraw/zinc/61/08/83/1335610883.db2.gz MMQRMBGRHFFTFE-OAHLLOKOSA-N 0 0 340.489 2.630 10 10 EFCERN COC(=O)c1cnc(SCC(=O)c2ccncc2Cl)s1 ZINC001559416839 1335841126 /nfs/dbraw/zinc/84/11/26/1335841126.db2.gz ZNPBUTQTEOBJNH-UHFFFAOYSA-N 0 0 328.802 2.953 10 10 EFCERN CCOC(=O)CN(C(=O)/C(C)=C/c1cccnc1)c1ccc(F)cn1 ZINC001360891566 1335949399 /nfs/dbraw/zinc/94/93/99/1335949399.db2.gz NKCGIHGTPIGYJI-UKTHLTGXSA-N 0 0 343.358 2.615 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)C2(OC(C)C)CCC2)cc1 ZINC001437377599 1387593160 /nfs/dbraw/zinc/59/31/60/1387593160.db2.gz FBXPNYITPBWDHC-UHFFFAOYSA-N 0 0 334.460 2.938 10 10 EFCERN Cc1noc(CCCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001440714072 1389832286 /nfs/dbraw/zinc/83/22/86/1389832286.db2.gz KUPUAMLEABPZQX-UHFFFAOYSA-N 0 0 342.443 2.960 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001440716354 1389833568 /nfs/dbraw/zinc/83/35/68/1389833568.db2.gz WICZXJMRZDFSEA-HXUWFJFHSA-N 0 0 343.471 2.694 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc2c(cc1Cl)OCCO2 ZINC001441297050 1391239668 /nfs/dbraw/zinc/23/96/68/1391239668.db2.gz QFKPIMGIGRXNQR-UHFFFAOYSA-N 0 0 335.743 2.704 10 10 EFCERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001444908073 1391514382 /nfs/dbraw/zinc/51/43/82/1391514382.db2.gz PDUXVXCJZXPCMZ-LLVKDONJSA-N 0 0 330.340 2.734 10 10 EFCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001446807282 1391608669 /nfs/dbraw/zinc/60/86/69/1391608669.db2.gz SUYYDKUNWRAJDA-XYPHTWIQSA-N 0 0 338.407 2.603 10 10 EFCERN O=C(CSc1ccc(F)c(F)c1)NCc1ccc(O)cc1O ZINC001451765869 1392846401 /nfs/dbraw/zinc/84/64/01/1392846401.db2.gz IKMUYGRLHBBEKP-UHFFFAOYSA-N 0 0 325.336 2.785 10 10 EFCERN Cc1cc(CCNC(=O)c2cc(=O)cc[nH]2)c(C)n1-c1ccccc1 ZINC001454478332 1393039888 /nfs/dbraw/zinc/03/98/88/1393039888.db2.gz VBAGKVJBDLKGNA-UHFFFAOYSA-N 0 0 335.407 2.755 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(=O)c(O)co1 ZINC001456750532 1394789389 /nfs/dbraw/zinc/78/93/89/1394789389.db2.gz VOCYDNQZMMPFOJ-UHFFFAOYSA-N 0 0 344.392 2.744 10 10 EFCERN O=C(NCc1ccc2nonc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001456904149 1394860010 /nfs/dbraw/zinc/86/00/10/1394860010.db2.gz PGUBXTCGZRRJBB-UHFFFAOYSA-N 0 0 341.348 2.779 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001457036358 1394934435 /nfs/dbraw/zinc/93/44/35/1394934435.db2.gz GHNRPZINKUJHPM-LBPRGKRZSA-N 0 0 348.761 2.927 10 10 EFCERN O=C(NCc1cccc(Cl)c1O)c1cnc2ccccc2c1O ZINC001457037216 1394934686 /nfs/dbraw/zinc/93/46/86/1394934686.db2.gz KDXILBKWAIVHTO-UHFFFAOYSA-N 0 0 328.755 2.817 10 10 EFCERN C[S@@](=O)(=NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001457098624 1394969354 /nfs/dbraw/zinc/96/93/54/1394969354.db2.gz WAWKCXRSGSHVLN-QFIPXVFZSA-N 0 0 339.800 2.977 10 10 EFCERN Cn1cnc(/C=C\C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1 ZINC001457201636 1395028146 /nfs/dbraw/zinc/02/81/46/1395028146.db2.gz YMCHEPIGEBMILM-WAYWQWQTSA-N 0 0 325.347 2.529 10 10 EFCERN Cc1ccc2ncc(C(=O)NCc3c(O)cccc3F)c(O)c2c1 ZINC001458023470 1395397828 /nfs/dbraw/zinc/39/78/28/1395397828.db2.gz DJXQGHLUXBADKA-UHFFFAOYSA-N 0 0 326.327 2.611 10 10 EFCERN COc1ccc(N(C)CCN(C)C(=O)[C@@]23CCO[C@H]2CCCC3)cc1 ZINC001461339288 1396371111 /nfs/dbraw/zinc/37/11/11/1396371111.db2.gz SHEHJAJCROFDSG-ICSRJNTNSA-N 0 0 346.471 2.939 10 10 EFCERN Cc1cc(CNC(=O)c2cccc(=O)n2C)c(C)n1-c1ccccc1 ZINC001462082703 1396419730 /nfs/dbraw/zinc/41/97/30/1396419730.db2.gz FABULOIFIYTALW-UHFFFAOYSA-N 0 0 335.407 2.723 10 10 EFCERN Cc1cc(CNC(=O)c2ccc(C(N)=O)cn2)c(C)n1-c1ccccc1 ZINC001462084813 1396420027 /nfs/dbraw/zinc/42/00/27/1396420027.db2.gz LMQAHRWTFNDIDM-UHFFFAOYSA-N 0 0 348.406 2.518 10 10 EFCERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001463727777 1396516704 /nfs/dbraw/zinc/51/67/04/1396516704.db2.gz VNAUYDCQUIHWDQ-UHFFFAOYSA-N 0 0 342.468 2.947 10 10 EFCERN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CO)nc2)cc1 ZINC001463780898 1396520827 /nfs/dbraw/zinc/52/08/27/1396520827.db2.gz YUKFXMUFTVWBIR-UHFFFAOYSA-N 0 0 327.428 2.692 10 10 EFCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nc[nH]c2n1 ZINC001463812913 1396523244 /nfs/dbraw/zinc/52/32/44/1396523244.db2.gz LYGVOWGOALMPSU-UHFFFAOYSA-N 0 0 335.411 2.830 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC001463972817 1396535086 /nfs/dbraw/zinc/53/50/86/1396535086.db2.gz FEYZNNFEFVXWGF-UHFFFAOYSA-N 0 0 340.379 2.515 10 10 EFCERN COc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N)c1F ZINC001464359933 1396568060 /nfs/dbraw/zinc/56/80/60/1396568060.db2.gz GYLZOYLDEUZYBH-UHFFFAOYSA-N 0 0 345.374 2.505 10 10 EFCERN O=C(NCc1cccc2c1OCO2)c1cc2cc(O)c(O)cc2s1 ZINC001464397340 1396571628 /nfs/dbraw/zinc/57/16/28/1396571628.db2.gz JCLHAINPHDHTBB-UHFFFAOYSA-N 0 0 343.360 2.971 10 10 EFCERN CC(=O)CC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC001464526602 1396584440 /nfs/dbraw/zinc/58/44/40/1396584440.db2.gz FATAJZCDQILMMC-MRXNPFEDSA-N 0 0 344.455 2.850 10 10 EFCERN COCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC001464558725 1396585608 /nfs/dbraw/zinc/58/56/08/1396585608.db2.gz WBBKBBGFMIUCRM-AWEZNQCLSA-N 0 0 329.396 2.877 10 10 EFCERN O=C(NCCCSc1nccs1)c1ccc2c(c1)nc[nH]c2=O ZINC001464902425 1396628395 /nfs/dbraw/zinc/62/83/95/1396628395.db2.gz RFVOHVQCVAXITC-UHFFFAOYSA-N 0 0 346.437 2.704 10 10 EFCERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465419206 1396679218 /nfs/dbraw/zinc/67/92/18/1396679218.db2.gz ZUFLPTBNHIDCHD-SNVBAGLBSA-N 0 0 342.403 2.560 10 10 EFCERN COc1cc(CNC(=O)Cc2ccc(O)c(O)c2)c2ccccc2n1 ZINC001465476887 1396685290 /nfs/dbraw/zinc/68/52/90/1396685290.db2.gz QLTDRGJVXDOQIX-UHFFFAOYSA-N 0 0 338.363 2.514 10 10 EFCERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465712347 1396705614 /nfs/dbraw/zinc/70/56/14/1396705614.db2.gz HOJVXKLOOQWEBX-YYUOZPCZSA-N 0 0 347.436 2.597 10 10 EFCERN Nc1c(F)cc(Br)cc1C(=O)NCc1ccccc1O ZINC001465990535 1396729012 /nfs/dbraw/zinc/72/90/12/1396729012.db2.gz NDVPZVAJHAWSEP-UHFFFAOYSA-N 0 0 339.164 2.806 10 10 EFCERN COc1cccc(CNC(=O)c2ccc(-c3csnn3)cc2)c1O ZINC001465993199 1396729711 /nfs/dbraw/zinc/72/97/11/1396729711.db2.gz PEFJAGZONZNVKJ-UHFFFAOYSA-N 0 0 341.392 2.849 10 10 EFCERN COc1cccc(CNC(=O)c2ncsc2Br)c1O ZINC001465993240 1396730132 /nfs/dbraw/zinc/73/01/32/1396730132.db2.gz PKMMPVRYBCMJFY-UHFFFAOYSA-N 0 0 343.202 2.550 10 10 EFCERN COC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)c(F)c1 ZINC001466155158 1396742270 /nfs/dbraw/zinc/74/22/70/1396742270.db2.gz QBHPJUFXDMNEHQ-LBPRGKRZSA-N 0 0 343.763 2.890 10 10 EFCERN C[S@@](=O)Cc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001466747122 1396779847 /nfs/dbraw/zinc/77/98/47/1396779847.db2.gz OHGVQGGVHRQCJJ-ISGGHPHESA-N 0 0 331.393 2.628 10 10 EFCERN CO[C@H]1CCOc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc21 ZINC001467661302 1396881843 /nfs/dbraw/zinc/88/18/43/1396881843.db2.gz KPZWXPCENIOURM-INIZCTEOSA-N 0 0 329.352 2.749 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1nc(C)cc1C(F)F ZINC001467839937 1396903033 /nfs/dbraw/zinc/90/30/33/1396903033.db2.gz HEKGCWTYQPHXNQ-UHFFFAOYSA-N 0 0 344.358 2.637 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)OCC)CCCC1 ZINC001467840318 1396903203 /nfs/dbraw/zinc/90/32/03/1396903203.db2.gz NWVKFHOZWMPYFD-UHFFFAOYSA-N 0 0 340.416 2.618 10 10 EFCERN O=C(N[C@@H](CO)c1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001468365827 1396949917 /nfs/dbraw/zinc/94/99/17/1396949917.db2.gz MTTSWAMZTKOZKS-LBPRGKRZSA-N 0 0 347.367 2.915 10 10 EFCERN O=C(NCc1ccc2cccnc2c1O)[C@@H](O)CCc1ccccc1 ZINC001469250650 1397016163 /nfs/dbraw/zinc/01/61/63/1397016163.db2.gz SQKSNJDRJGWVGU-KRWDZBQOSA-N 0 0 336.391 2.550 10 10 EFCERN COC(=O)C1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001469280532 1397017388 /nfs/dbraw/zinc/01/73/88/1397017388.db2.gz OQSSMBXCNCFNEH-UHFFFAOYSA-N 0 0 332.425 2.791 10 10 EFCERN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(F)c(O)c3)C2)cc1 ZINC001469282394 1397018018 /nfs/dbraw/zinc/01/80/18/1397018018.db2.gz QYPFZNSENOAVCR-CYBMUJFWSA-N 0 0 344.386 2.796 10 10 EFCERN Cc1ccc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1O ZINC001469520584 1397034634 /nfs/dbraw/zinc/03/46/34/1397034634.db2.gz SXULAXVCIZKXMF-ZDUSSCGKSA-N 0 0 337.416 2.750 10 10 EFCERN O=C(NCc1nc(-c2ccccn2)cs1)c1cccc(O)c1O ZINC001469537805 1397036105 /nfs/dbraw/zinc/03/61/05/1397036105.db2.gz IBHCYDQPAHUIRM-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN Cc1ccc(O)c(CNC(=O)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC001469764851 1397053860 /nfs/dbraw/zinc/05/38/60/1397053860.db2.gz NDAPMDIJXSKWJT-ZDUSSCGKSA-N 0 0 334.322 2.912 10 10 EFCERN COC[C@@H]1CCCN1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001470272985 1397083764 /nfs/dbraw/zinc/08/37/64/1397083764.db2.gz XTBSJXKUBCYODJ-AWEZNQCLSA-N 0 0 333.457 2.911 10 10 EFCERN COC[C@H]1CCCN1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001470272986 1397084004 /nfs/dbraw/zinc/08/40/04/1397084004.db2.gz XTBSJXKUBCYODJ-CQSZACIVSA-N 0 0 333.457 2.911 10 10 EFCERN COc1ccc(CNC(=O)NCc2cccc(C(C)=O)c2)c(O)c1 ZINC001470678858 1397110183 /nfs/dbraw/zinc/11/01/83/1397110183.db2.gz BLVAGQORSYKLBO-UHFFFAOYSA-N 0 0 328.368 2.603 10 10 EFCERN CCCN(Cc1ccccc1O)C(=O)NCCc1ccnc(OC)c1 ZINC001471006317 1397133428 /nfs/dbraw/zinc/13/34/28/1397133428.db2.gz RHCPJMXTDFBPPY-UHFFFAOYSA-N 0 0 343.427 2.960 10 10 EFCERN Cc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001471018453 1397133802 /nfs/dbraw/zinc/13/38/02/1397133802.db2.gz SKCWGBDNZKFQRA-UHFFFAOYSA-N 0 0 339.355 2.655 10 10 EFCERN Cc1cc(CNC(=O)NC2(C)COC2)c(C)n1-c1cccc(C)c1 ZINC001471036671 1397134883 /nfs/dbraw/zinc/13/48/83/1397134883.db2.gz YWTROFRDAJIUKW-UHFFFAOYSA-N 0 0 327.428 2.991 10 10 EFCERN C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1O ZINC001471194091 1397149844 /nfs/dbraw/zinc/14/98/44/1397149844.db2.gz CSKRNDFVKGZFCS-QMMMGPOBSA-N 0 0 337.173 2.746 10 10 EFCERN COC(=O)C[C@@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001471431421 1397170813 /nfs/dbraw/zinc/17/08/13/1397170813.db2.gz UWUROJBRXXZFST-GFCCVEGCSA-N 0 0 342.395 2.588 10 10 EFCERN O=C(COCc1nc2ccccc2s1)NCc1cc(O)ccc1O ZINC001471661480 1397194592 /nfs/dbraw/zinc/19/45/92/1397194592.db2.gz YQNDGOACZZILOY-UHFFFAOYSA-N 0 0 344.392 2.541 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cnc(-c2ccccn2)s1 ZINC001471660859 1397194606 /nfs/dbraw/zinc/19/46/06/1397194606.db2.gz BWEPVMFFWLCZAV-UHFFFAOYSA-N 0 0 327.365 2.546 10 10 EFCERN CC(C)C(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001471789703 1397206421 /nfs/dbraw/zinc/20/64/21/1397206421.db2.gz NCWWQCHDUCLRIH-SFHVURJKSA-N 0 0 327.380 2.723 10 10 EFCERN Cn1ccc(Nc2ccc(C(=O)NCc3c(O)cccc3F)cc2)n1 ZINC001471975689 1397229465 /nfs/dbraw/zinc/22/94/65/1397229465.db2.gz CVMLROMVZNSKHL-UHFFFAOYSA-N 0 0 340.358 2.938 10 10 EFCERN Nc1c(Cl)cc(C(=O)NCc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC001471975925 1397229528 /nfs/dbraw/zinc/22/95/28/1397229528.db2.gz MVIGWNHLOSQPQE-UHFFFAOYSA-N 0 0 339.710 2.605 10 10 EFCERN CSc1cccc(C(=O)NCc2c(O)cccc2O)c1[N+](=O)[O-] ZINC001472063036 1397242364 /nfs/dbraw/zinc/24/23/64/1397242364.db2.gz CVOHJDYFHMXXGK-UHFFFAOYSA-N 0 0 334.353 2.658 10 10 EFCERN COc1ccc(CCCC(=O)NCc2c(O)cccc2O)c(OC)c1 ZINC001472062994 1397242652 /nfs/dbraw/zinc/24/26/52/1397242652.db2.gz BFJHUBHCOUUJAU-UHFFFAOYSA-N 0 0 345.395 2.754 10 10 EFCERN CN(C)Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)no1 ZINC001472084708 1397244990 /nfs/dbraw/zinc/24/49/90/1397244990.db2.gz CDFVCLSVRARAJA-UHFFFAOYSA-N 0 0 325.368 2.525 10 10 EFCERN COC(=O)[C@H](c1ccccc1)N(C)CCN(C)c1ccc(OC)cc1 ZINC001473610076 1397314256 /nfs/dbraw/zinc/31/42/56/1397314256.db2.gz KTCPMTCJNOJBLV-IBGZPJMESA-N 0 0 342.439 2.978 10 10 EFCERN CCO[C@@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)C1CC1 ZINC001473731788 1397326529 /nfs/dbraw/zinc/32/65/29/1397326529.db2.gz GVEOPTVUSBPRPC-IBGZPJMESA-N 0 0 334.460 2.641 10 10 EFCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(OC(C)C)C1 ZINC001478840395 1397591802 /nfs/dbraw/zinc/59/18/02/1397591802.db2.gz BQZZMZGZEQXJQG-OAHLLOKOSA-N 0 0 333.476 2.811 10 10 EFCERN CC[C@@H](C)C(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001495573202 1400092179 /nfs/dbraw/zinc/09/21/79/1400092179.db2.gz ZUZHXSWYWOTVAS-VXGBXAGGSA-N 0 0 347.419 2.520 10 10 EFCERN COC(C)(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001503907457 1404512942 /nfs/dbraw/zinc/51/29/42/1404512942.db2.gz DJHVNEXDHGBVON-UHFFFAOYSA-N 0 0 330.432 2.923 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC001546296949 1405685032 /nfs/dbraw/zinc/68/50/32/1405685032.db2.gz YWLISDBMRGJSGD-BFUOFWGJSA-N 0 0 340.423 2.750 10 10 EFCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1(C)COC1 ZINC001508914347 1407719310 /nfs/dbraw/zinc/71/93/10/1407719310.db2.gz FOTOYHNPELGXRL-UHFFFAOYSA-N 0 0 330.432 2.780 10 10 EFCERN CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21 ZINC001556151431 1415055988 /nfs/dbraw/zinc/05/59/88/1415055988.db2.gz MBZCYEYOJIAKQE-UHFFFAOYSA-N 0 0 340.379 2.578 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-c2ccccc2)n1 ZINC001556157495 1415056362 /nfs/dbraw/zinc/05/63/62/1415056362.db2.gz CPPWLUIBJHMRSL-CYBMUJFWSA-N 0 0 349.390 2.916 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccc(O)c1 ZINC001556158020 1415056596 /nfs/dbraw/zinc/05/65/96/1415056596.db2.gz POHRPXQLGSSZNT-LBPRGKRZSA-N 0 0 329.396 2.828 10 10 EFCERN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc2cc(O)c(O)cc2s1 ZINC001556198084 1415058065 /nfs/dbraw/zinc/05/80/65/1415058065.db2.gz UHYVXSGDMWAQDV-LLVKDONJSA-N 0 0 341.388 2.915 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001556278832 1415061389 /nfs/dbraw/zinc/06/13/89/1415061389.db2.gz HYRZUBVSSPVOOP-QZTJIDSGSA-N 0 0 340.423 2.796 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(O)CCCC(C)(C)C1 ZINC001556515818 1415073821 /nfs/dbraw/zinc/07/38/21/1415073821.db2.gz NQURBVODJSYPRZ-SFHVURJKSA-N 0 0 326.433 2.825 10 10 EFCERN CO[C@](C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001556682658 1415082120 /nfs/dbraw/zinc/08/21/20/1415082120.db2.gz GULFMEWENYAPED-ZMOVQZPESA-N 0 0 327.380 2.789 10 10 EFCERN Cc1nc[nH]c1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001556879051 1415093266 /nfs/dbraw/zinc/09/32/66/1415093266.db2.gz ABALZRNULNHYLM-UHFFFAOYSA-N 0 0 332.367 2.609 10 10 EFCERN C[C@H]1COCCN1c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001556878135 1415093624 /nfs/dbraw/zinc/09/36/24/1415093624.db2.gz XDNAATBQSVATOK-ZDUSSCGKSA-N 0 0 342.395 2.504 10 10 EFCERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(OC)c1Cl ZINC001556964624 1415097767 /nfs/dbraw/zinc/09/77/67/1415097767.db2.gz HMLTWNGZUHQMLZ-UHFFFAOYSA-N 0 0 337.759 2.950 10 10 EFCERN O=C(Cn1ncc2ccccc21)NCc1ccc2cccnc2c1O ZINC001557121975 1415106490 /nfs/dbraw/zinc/10/64/90/1415106490.db2.gz DSJBPEAEYSBFDD-UHFFFAOYSA-N 0 0 332.363 2.607 10 10 EFCERN CO[C@](C)(CO)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001557293980 1415118269 /nfs/dbraw/zinc/11/82/69/1415118269.db2.gz MDVLGPPYEJWWPV-FQEVSTJZSA-N 0 0 344.455 2.838 10 10 EFCERN CCN(C(C)=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC001557460791 1415127324 /nfs/dbraw/zinc/12/73/24/1415127324.db2.gz DJCUEYGFTKAOKU-WEVVVXLNSA-N 0 0 341.367 2.518 10 10 EFCERN COC[C@@H]1CCCN1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001557563760 1415132111 /nfs/dbraw/zinc/13/21/11/1415132111.db2.gz YKWBIUGDPLPAJM-SFHVURJKSA-N 0 0 327.428 2.850 10 10 EFCERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1Cc2cccc(O)c2C1 ZINC001558036176 1415156359 /nfs/dbraw/zinc/15/63/59/1415156359.db2.gz VZCLURWNBMDJQJ-UHFFFAOYSA-N 0 0 339.376 2.887 10 10 EFCERN O=C(CSc1ccc2c(c1)CCC2)NCc1cc(O)ccc1O ZINC001558174155 1415163666 /nfs/dbraw/zinc/16/36/66/1415163666.db2.gz GEINXCCBSXXIKK-UHFFFAOYSA-N 0 0 329.421 2.995 10 10 EFCERN O=C(NCc1cc(O)ccc1O)c1cccc(Oc2cnccn2)c1 ZINC001558174561 1415163860 /nfs/dbraw/zinc/16/38/60/1415163860.db2.gz OCSTYIWSLJPQHX-UHFFFAOYSA-N 0 0 337.335 2.610 10 10 EFCERN O=C(CCCn1cnc2ccccc21)NCc1cc(O)ccc1O ZINC001558174620 1415164208 /nfs/dbraw/zinc/16/42/08/1415164208.db2.gz QYMBOWHEHNZTRC-UHFFFAOYSA-N 0 0 325.368 2.544 10 10 EFCERN O=C(CCc1nc(-c2ccccc2)no1)NCc1c(O)cccc1F ZINC001558454934 1415180797 /nfs/dbraw/zinc/18/07/97/1415180797.db2.gz HVJDIISQDBDZDI-UHFFFAOYSA-N 0 0 341.342 2.830 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1ccc2ccc(O)cc2c1O ZINC001558536417 1415186919 /nfs/dbraw/zinc/18/69/19/1415186919.db2.gz XLFOLUUAMFUTEZ-UHFFFAOYSA-N 0 0 325.320 2.592 10 10 EFCERN C[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001558535534 1415186999 /nfs/dbraw/zinc/18/69/99/1415186999.db2.gz JJBSIRXNFPVNKI-SECBINFHSA-N 0 0 334.303 2.565 10 10 EFCERN O=C(NCc1c(O)cccc1O)c1cccc(Nc2cnccn2)c1 ZINC001558534682 1415187211 /nfs/dbraw/zinc/18/72/11/1415187211.db2.gz WVCXZNIYRQRIQI-UHFFFAOYSA-N 0 0 336.351 2.561 10 10 EFCERN Cc1cc(C)n2nc(C(=O)NCc3c(O)ccc4ccccc43)nc2n1 ZINC001558553464 1415188213 /nfs/dbraw/zinc/18/82/13/1415188213.db2.gz NSGPNIULMDIUBO-UHFFFAOYSA-N 0 0 347.378 2.530 10 10 EFCERN CC(=O)N1CCc2cc(C(=O)NCc3cccc(Cl)c3O)ccc21 ZINC001558756985 1415199393 /nfs/dbraw/zinc/19/93/93/1415199393.db2.gz KHPCERKSDSNQFA-UHFFFAOYSA-N 0 0 344.798 2.885 10 10 EFCERN O=C(Cn1ccc(=O)c2ccccc21)NCc1cccc(Cl)c1O ZINC001558756845 1415199631 /nfs/dbraw/zinc/19/96/31/1415199631.db2.gz DQVJYQZSXHAPPV-UHFFFAOYSA-N 0 0 342.782 2.677 10 10 EFCERN COC(=O)C1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001558779930 1415201090 /nfs/dbraw/zinc/20/10/90/1415201090.db2.gz BRLFQWSTCPCPAU-UHFFFAOYSA-N 0 0 346.814 2.993 10 10 EFCERN O=C(Cc1ccc(O)c(O)c1)Nc1nn(CC(F)F)c2ccccc12 ZINC001558855204 1415206897 /nfs/dbraw/zinc/20/68/97/1415206897.db2.gz YEDMMMJAZDTASR-UHFFFAOYSA-N 0 0 347.321 2.894 10 10 EFCERN COC(=O)c1csc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001559714531 1415253607 /nfs/dbraw/zinc/25/36/07/1415253607.db2.gz ZRZZNDLALWUDCD-UHFFFAOYSA-N 0 0 332.425 3.000 10 10 EFCERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001565297941 1415392945 /nfs/dbraw/zinc/39/29/45/1415392945.db2.gz RRQGOHDGZMBUQZ-SNVBAGLBSA-N 0 0 333.319 3.000 10 10 EFCERN CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCCCC2 ZINC001565802986 1415416783 /nfs/dbraw/zinc/41/67/83/1415416783.db2.gz XYZIJVMHKWKHPM-IAGOWNOFSA-N 0 0 333.428 2.884 10 10 EFCERN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001565813766 1415417640 /nfs/dbraw/zinc/41/76/40/1415417640.db2.gz FUUHLSKMLHMTJU-ZDUSSCGKSA-N 0 0 342.359 2.908 10 10 EFCERN C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001565927807 1415451000 /nfs/dbraw/zinc/45/10/00/1415451000.db2.gz IVGOPZALJGMOCG-CYBMUJFWSA-N 0 0 340.383 2.872 10 10 EFCERN C[C@H]1CN(C)c2ccccc2N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001566086168 1415510511 /nfs/dbraw/zinc/51/05/11/1415510511.db2.gz NERTXKZKHYJXAY-ZDUSSCGKSA-N 0 0 326.396 2.759 10 10 EFCERN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC001566438182 1415546429 /nfs/dbraw/zinc/54/64/29/1415546429.db2.gz NABLHDCAVHYPSJ-CQSZACIVSA-N 0 0 330.340 2.816 10 10 EFCERN CC[C@H](SC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001566850190 1415798647 /nfs/dbraw/zinc/79/86/47/1415798647.db2.gz YONYGAYLNWLPHU-ZDUSSCGKSA-N 0 0 345.848 2.689 10 10 EFCERN Cc1cc(C(=O)N[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC001567037532 1415908733 /nfs/dbraw/zinc/90/87/33/1415908733.db2.gz SMSCPEALRVRNMM-FUHWJXTLSA-N 0 0 342.439 2.530 10 10 EFCERN COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001567099618 1415933075 /nfs/dbraw/zinc/93/30/75/1415933075.db2.gz DZVVUQYIKKFSQT-MRXNPFEDSA-N 0 0 327.380 2.843 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccn(C)n2)c1 ZINC001567178955 1415973463 /nfs/dbraw/zinc/97/34/63/1415973463.db2.gz GWPROQQMQVTCDF-UHFFFAOYSA-N 0 0 336.395 2.570 10 10 EFCERN Cc1sc(Cl)nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001567464491 1416149579 /nfs/dbraw/zinc/14/95/79/1416149579.db2.gz AKCOYNSAEZVGBW-SSDOTTSWSA-N 0 0 326.805 2.877 10 10 EFCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2nnc(C)n2C)c1 ZINC001567499612 1416162818 /nfs/dbraw/zinc/16/28/18/1416162818.db2.gz AFZXDRBZYDEBFI-UHFFFAOYSA-N 0 0 337.383 2.596 10 10 EFCERN CC[C@@]1(O)CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001683424560 1416681076 /nfs/dbraw/zinc/68/10/76/1416681076.db2.gz FMBDQPAEYJYJDJ-OXQOHEQNSA-N 0 0 347.503 2.939 10 10 EFCERN COC(=O)c1cnc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC001683479672 1416681422 /nfs/dbraw/zinc/68/14/22/1416681422.db2.gz UORPPDMIXNLUTD-NXEZZACHSA-N 0 0 349.412 2.757 10 10 EFCERN O=C(NCc1cccc2c1OC(F)(F)O2)N1Cc2cccc(O)c2C1 ZINC001684332344 1416718257 /nfs/dbraw/zinc/71/82/57/1416718257.db2.gz SYQWQEKDEJNSEF-UHFFFAOYSA-N 0 0 348.305 2.939 10 10 EFCERN Cc1csc(Cn2c(C)nnc2N(C)Cc2ccccc2O)n1 ZINC001693327281 1417286016 /nfs/dbraw/zinc/28/60/16/1417286016.db2.gz PNPWCHGRXUYHMV-UHFFFAOYSA-N 0 0 329.429 2.742 10 10 EFCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@H]1C ZINC001710648528 1418251543 /nfs/dbraw/zinc/25/15/43/1418251543.db2.gz OKYZPIOCQMDAHH-UKRRQHHQSA-N 0 0 330.432 2.813 10 10 EFCERN Nc1ccc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000160680894 1418470513 /nfs/dbraw/zinc/47/05/13/1418470513.db2.gz DXWCWMQMWZXPCV-AWEZNQCLSA-N 0 0 339.222 2.968 10 10 EFCERN CCOc1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1 ZINC000243478901 1419232671 /nfs/dbraw/zinc/23/26/71/1419232671.db2.gz NNKNXSJFLASWSP-UHFFFAOYSA-N 0 0 329.400 2.710 10 10 EFCERN CC(C)N(CCN(C)CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717952047 1419626168 /nfs/dbraw/zinc/62/61/68/1419626168.db2.gz BHOUNQZEKHHZAO-UHFFFAOYSA-N 0 0 337.399 2.601 10 10 EFCERN Cc1nnc(N2CCSCC2)n1Cc1ccc(N(C)C)cc1C ZINC001724234543 1424709363 /nfs/dbraw/zinc/70/93/63/1424709363.db2.gz DBURUBYYNNOYBV-UHFFFAOYSA-N 0 0 331.489 2.562 10 10 EFCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)O ZINC001726877595 1426294263 /nfs/dbraw/zinc/29/42/63/1426294263.db2.gz BKZMCEBPMMBUCE-ZDUSSCGKSA-N 0 0 332.448 2.905 10 10 EFCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCCOC(C)C ZINC001727508345 1426301369 /nfs/dbraw/zinc/30/13/69/1426301369.db2.gz GLQBVMTUHUBCED-UHFFFAOYSA-N 0 0 332.448 2.998 10 10 EFCERN CO[C@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001729833775 1426327958 /nfs/dbraw/zinc/32/79/58/1426327958.db2.gz KPPGYYGUXKHDLI-CYBMUJFWSA-N 0 0 330.432 2.923 10 10 EFCERN C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC2(CCC2)C1 ZINC000924288431 712963060 /nfs/dbraw/zinc/96/30/60/712963060.db2.gz RORRVIVKQICELG-SUZKBHRPSA-N 0 0 331.412 2.967 10 10 EFCERN CNC(=O)c1cc(N(C)C(=O)/C=C/c2cn(C)c3ccccc23)ccn1 ZINC000078932569 713037782 /nfs/dbraw/zinc/03/77/82/713037782.db2.gz DVHGGJZTOVBNQZ-CMDGGOBGSA-N 0 0 348.406 2.609 10 10 EFCERN C[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCC1=O ZINC000804735455 713455295 /nfs/dbraw/zinc/45/52/95/713455295.db2.gz ZNSNDSABUDEMQP-UWVGGRQHSA-N 0 0 340.217 2.776 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1Cc2ccccc2O1 ZINC000804736053 713455510 /nfs/dbraw/zinc/45/55/10/713455510.db2.gz MSXDXPHRPUVJSZ-HNNXBMFYSA-N 0 0 348.196 2.775 10 10 EFCERN O=C(NCc1cc(Br)ccc1O)c1ccc(Cl)nn1 ZINC000804738942 713456400 /nfs/dbraw/zinc/45/64/00/713456400.db2.gz KCZCLMAMMCIBSO-UHFFFAOYSA-N 0 0 342.580 2.528 10 10 EFCERN CC[C@@H](C)[C@@H](OC)C(=O)NCc1cc(Br)ccc1O ZINC000804739026 713456419 /nfs/dbraw/zinc/45/64/19/713456419.db2.gz NQUUOWOAXMKETO-NOZJJQNGSA-N 0 0 330.222 2.832 10 10 EFCERN CC(C)CO[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804739870 713456695 /nfs/dbraw/zinc/45/66/95/713456695.db2.gz WNABYMNGTLFKQW-JTQLQIEISA-N 0 0 330.222 2.832 10 10 EFCERN CC(C)n1nccc1C(=O)NCc1cc(Br)ccc1O ZINC000804740152 713456851 /nfs/dbraw/zinc/45/68/51/713456851.db2.gz AGOJZIPNFXSCCK-UHFFFAOYSA-N 0 0 338.205 2.862 10 10 EFCERN CC[C@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1 ZINC000804740447 713456884 /nfs/dbraw/zinc/45/68/84/713456884.db2.gz HHXIIJZGYICVHF-WCQYABFASA-N 0 0 328.206 2.729 10 10 EFCERN CC[C@H]1C[C@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804740750 713457080 /nfs/dbraw/zinc/45/70/80/713457080.db2.gz MULCKNNFDSVLLE-MFKMUULPSA-N 0 0 342.233 2.976 10 10 EFCERN CC[C@@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000804740749 713457092 /nfs/dbraw/zinc/45/70/92/713457092.db2.gz MULCKNNFDSVLLE-GXFFZTMASA-N 0 0 342.233 2.976 10 10 EFCERN COCc1nnc(NCc2cc(Br)ccc2O)s1 ZINC000804828101 713488226 /nfs/dbraw/zinc/48/82/26/713488226.db2.gz ZYKHBPVSAGHWDR-UHFFFAOYSA-N 0 0 330.207 2.765 10 10 EFCERN Nc1ncnc(NCc2cc(Br)ccc2O)c1Cl ZINC000804827615 713488424 /nfs/dbraw/zinc/48/84/24/713488424.db2.gz BPKCBRVTVZEUIS-UHFFFAOYSA-N 0 0 329.585 2.792 10 10 EFCERN Oc1ccc(Br)cc1CNc1cncc(-n2cccn2)n1 ZINC000804827222 713488433 /nfs/dbraw/zinc/48/84/33/713488433.db2.gz MYVHRTAAMFLQMB-UHFFFAOYSA-N 0 0 346.188 2.743 10 10 EFCERN Cc1cc(C(=O)OCCN2CCSCC2)c(C)n1-c1ccccn1 ZINC000177182793 717937089 /nfs/dbraw/zinc/93/70/89/717937089.db2.gz ZXDJXNLQHIAUII-UHFFFAOYSA-N 0 0 345.468 2.695 10 10 EFCERN CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCN1CC(F)F ZINC000160523969 714258745 /nfs/dbraw/zinc/25/87/45/714258745.db2.gz GPZHHQKLTCTTEO-CQSZACIVSA-N 0 0 328.403 2.871 10 10 EFCERN COc1ccc(N2CCN(C(=O)CCCSC)CC2)cc1F ZINC000177275497 717969447 /nfs/dbraw/zinc/96/94/47/717969447.db2.gz FMRJYAILMAEJRI-UHFFFAOYSA-N 0 0 326.437 2.626 10 10 EFCERN O=C1CC2(CCC2)[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC000895927729 724397754 /nfs/dbraw/zinc/39/77/54/724397754.db2.gz ATPIIUHBGAANFJ-UHFFFAOYSA-N 0 0 329.227 2.944 10 10 EFCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCOCC1 ZINC000161311049 715566699 /nfs/dbraw/zinc/56/66/99/715566699.db2.gz FFCHLIFJJPJROM-CRAIPNDOSA-N 0 0 347.455 2.963 10 10 EFCERN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)[nH]n1 ZINC000161369859 715708249 /nfs/dbraw/zinc/70/82/49/715708249.db2.gz CMVXQFBBTGSWNB-GFCCVEGCSA-N 0 0 337.427 2.882 10 10 EFCERN Cc1noc([C@@H](C)N2CCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121284604 723892431 /nfs/dbraw/zinc/89/24/31/723892431.db2.gz RKWUPACZXFKUOK-LLVKDONJSA-N 0 0 336.823 2.616 10 10 EFCERN Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(O)c1O ZINC000179431869 717460318 /nfs/dbraw/zinc/46/03/18/717460318.db2.gz BDIJXISLIUJHKM-UHFFFAOYSA-N 0 0 337.379 2.581 10 10 EFCERN CCc1noc(C)c1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000179426506 717463693 /nfs/dbraw/zinc/46/36/93/717463693.db2.gz IQCKIHHCYJGSQC-UHFFFAOYSA-N 0 0 344.415 2.908 10 10 EFCERN CN(C)c1ccc(CNS(=O)(=O)/C=C\c2ccccc2)cc1F ZINC000255756107 717467409 /nfs/dbraw/zinc/46/74/09/717467409.db2.gz PDLKLRHYLXLDAN-KHPPLWFESA-N 0 0 334.416 2.982 10 10 EFCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C(C)(C)C)nc1 ZINC000935945710 718751319 /nfs/dbraw/zinc/75/13/19/718751319.db2.gz HVCXGVJWBWCVGW-UHFFFAOYSA-N 0 0 334.416 2.895 10 10 EFCERN C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925853390 719835846 /nfs/dbraw/zinc/83/58/46/719835846.db2.gz INZLQXKIAMCRIH-ZANVPECISA-N 0 0 333.310 2.636 10 10 EFCERN CCc1cc(NC(=O)C(=O)NCc2cccc(OC)c2O)ccc1C ZINC000180603458 719953958 /nfs/dbraw/zinc/95/39/58/719953958.db2.gz GDMPLQXYQVXZKA-UHFFFAOYSA-N 0 0 342.395 2.527 10 10 EFCERN CCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000181048553 720000846 /nfs/dbraw/zinc/00/08/46/720000846.db2.gz GBWATUYKYKSAON-VMPITWQZSA-N 0 0 331.343 2.965 10 10 EFCERN C[C@H](O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893993157 720199400 /nfs/dbraw/zinc/19/94/00/720199400.db2.gz BWYOANLJKFNGKY-VIFPVBQESA-N 0 0 332.213 2.887 10 10 EFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000053490878 720746472 /nfs/dbraw/zinc/74/64/72/720746472.db2.gz DOCAMMXRAPDOSI-UHFFFAOYSA-N 0 0 349.438 2.996 10 10 EFCERN O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000897349676 724709379 /nfs/dbraw/zinc/70/93/79/724709379.db2.gz FCWIXOSWSPTKDS-NSHDSACASA-N 0 0 349.408 2.728 10 10 EFCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCSC2(CCC2)C1 ZINC000925260313 724719899 /nfs/dbraw/zinc/71/98/99/724719899.db2.gz XUXWUVAAYMJGKW-AWEZNQCLSA-N 0 0 346.452 2.975 10 10 EFCERN COc1cc(C)cc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000894167839 721061759 /nfs/dbraw/zinc/06/17/59/721061759.db2.gz TYQYCCPQWRGEJC-ZDUSSCGKSA-N 0 0 330.432 2.878 10 10 EFCERN COc1ccc(N2CCN(C(=O)c3cncc4cccnc43)CC2)cc1 ZINC000222619574 721075902 /nfs/dbraw/zinc/07/59/02/721075902.db2.gz CTFMGBMVCOFCEQ-UHFFFAOYSA-N 0 0 348.406 2.601 10 10 EFCERN CNC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000178846113 721121826 /nfs/dbraw/zinc/12/18/26/721121826.db2.gz RIRLFANLYKOGSO-QGZVFWFLSA-N 0 0 327.428 2.595 10 10 EFCERN COc1ccc(N(C)Cc2c3c(nn2C)CCSC3)cc1OC ZINC000894461891 722746136 /nfs/dbraw/zinc/74/61/36/722746136.db2.gz LKXRKMPALHKVGW-UHFFFAOYSA-N 0 0 333.457 2.863 10 10 EFCERN COc1cccc2c(C(=O)NCCCSc3nccs3)cnn21 ZINC000896332982 723252416 /nfs/dbraw/zinc/25/24/16/723252416.db2.gz DJTSWJARVPQQDE-UHFFFAOYSA-N 0 0 348.453 2.712 10 10 EFCERN COC(=O)c1c(CN2C[C@H]3[C@@H](C2)C3(F)F)c2cc(F)ccc2n1C ZINC000895149204 723464100 /nfs/dbraw/zinc/46/41/00/723464100.db2.gz DLYKNWHAQZVZKN-BETUJISGSA-N 0 0 338.329 2.801 10 10 EFCERN COC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000896791640 723479787 /nfs/dbraw/zinc/47/97/87/723479787.db2.gz SLKBAPOWZCSJFO-UHFFFAOYSA-N 0 0 349.408 2.776 10 10 EFCERN COc1cc(C)cc(CN[C@@H](C)C(=O)OCc2ccccc2)c1O ZINC000895184332 723844525 /nfs/dbraw/zinc/84/45/25/723844525.db2.gz QSYKRTNSSOLLSJ-AWEZNQCLSA-N 0 0 329.396 2.931 10 10 EFCERN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)[n-]1 ZINC000895238303 723914345 /nfs/dbraw/zinc/91/43/45/723914345.db2.gz XNQIBZJFPWSBJF-ZDUSSCGKSA-N 0 0 345.447 2.678 10 10 EFCERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896977002 723921482 /nfs/dbraw/zinc/92/14/82/723921482.db2.gz LJMBRPYCNKQJPE-SECBINFHSA-N 0 0 337.397 2.725 10 10 EFCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCCc1ccc(O)c(O)c1 ZINC000897069329 723978928 /nfs/dbraw/zinc/97/89/28/723978928.db2.gz WDVNUWPOGUFCRN-LBPRGKRZSA-N 0 0 345.420 2.653 10 10 EFCERN O=C(N[C@H]1CCCCC12OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000897098142 724020886 /nfs/dbraw/zinc/02/08/86/724020886.db2.gz KGRSFWFABKLGFU-HNNXBMFYSA-N 0 0 349.408 2.728 10 10 EFCERN O=C(N[C@@H]1CCCCC12OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000897098145 724021096 /nfs/dbraw/zinc/02/10/96/724021096.db2.gz KGRSFWFABKLGFU-OAHLLOKOSA-N 0 0 349.408 2.728 10 10 EFCERN O=C1N(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C[C@H]2CCCCN12 ZINC000895347111 724054756 /nfs/dbraw/zinc/05/47/56/724054756.db2.gz ZGPZYGDWMGVSRR-LLVKDONJSA-N 0 0 341.814 2.564 10 10 EFCERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897195840 724076348 /nfs/dbraw/zinc/07/63/48/724076348.db2.gz SXJZEAIZBHUPKM-UHNFBRDESA-N 0 0 345.420 3.000 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000897217213 724087244 /nfs/dbraw/zinc/08/72/44/724087244.db2.gz MQJKRTXXOVHXGM-PWSUYJOCSA-N 0 0 333.409 2.954 10 10 EFCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2COCC[C@@H]21 ZINC000897217212 724087315 /nfs/dbraw/zinc/08/73/15/724087315.db2.gz MQJKRTXXOVHXGM-JQWIXIFHSA-N 0 0 333.409 2.954 10 10 EFCERN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895388907 724103730 /nfs/dbraw/zinc/10/37/30/724103730.db2.gz BYNXQVOCUXPTFE-NSHDSACASA-N 0 0 344.180 2.645 10 10 EFCERN COCc1ncc2c(n1)CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC000895417321 724125090 /nfs/dbraw/zinc/12/50/90/724125090.db2.gz XUKFXEDRPQDQEJ-UHFFFAOYSA-N 0 0 333.819 2.849 10 10 EFCERN C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]21 ZINC000895461865 724144736 /nfs/dbraw/zinc/14/47/36/724144736.db2.gz PUXMHULVNVEPLK-HZMBPMFUSA-N 0 0 343.240 2.820 10 10 EFCERN CCN(CC)c1ccc(CN[C@@H](CC2CCOCC2)C(=O)OC)cc1 ZINC000895588981 724209695 /nfs/dbraw/zinc/20/96/95/724209695.db2.gz CPQAQFHYCSIZAQ-IBGZPJMESA-N 0 0 348.487 2.981 10 10 EFCERN COC(=O)c1cc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])n(C)c1C ZINC000895647263 724234695 /nfs/dbraw/zinc/23/46/95/724234695.db2.gz ULGWWEGWERRIEM-UHFFFAOYSA-N 0 0 340.782 2.908 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(NC(C)=O)c2)c1 ZINC000728984186 724944897 /nfs/dbraw/zinc/94/48/97/724944897.db2.gz MYEKOPCSKYMMAJ-NSHDSACASA-N 0 0 328.368 2.850 10 10 EFCERN CCOC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000918736960 728918640 /nfs/dbraw/zinc/91/86/40/728918640.db2.gz ZYJXBNQGFXNNER-ALCCZGGFSA-N 0 0 334.372 2.786 10 10 EFCERN Cc1cc(CN2CCS(=O)(=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000151609366 725789167 /nfs/dbraw/zinc/78/91/67/725789167.db2.gz GLPZTSFEKMALGN-ZDUSSCGKSA-N 0 0 325.474 2.617 10 10 EFCERN COC(=O)CCc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726565 725837000 /nfs/dbraw/zinc/83/70/00/725837000.db2.gz RRJXJKZKMJPODA-UHFFFAOYSA-N 0 0 325.364 2.654 10 10 EFCERN CCn1c(Br)ncc1C(=O)N[C@H](C)c1ccccc1O ZINC000913763349 725853213 /nfs/dbraw/zinc/85/32/13/725853213.db2.gz CRZCZLFBCYJGFI-SECBINFHSA-N 0 0 338.205 2.862 10 10 EFCERN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCOCC1)c1ccccc1O ZINC000913763815 725853287 /nfs/dbraw/zinc/85/32/87/725853287.db2.gz SBUNMMVHODAIGQ-ZDUSSCGKSA-N 0 0 349.427 2.708 10 10 EFCERN CN(C)c1ccc(CN(C)S(=O)(=O)CCCC(C)(F)F)cc1 ZINC000913860743 725903276 /nfs/dbraw/zinc/90/32/76/725903276.db2.gz QOINUZWXLGWGHN-UHFFFAOYSA-N 0 0 334.432 2.950 10 10 EFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@]12C[C@H]1COC21CCC1 ZINC000914180349 726154854 /nfs/dbraw/zinc/15/48/54/726154854.db2.gz LTJXXRNGATUYCE-OXJNMPFZSA-N 0 0 341.455 2.798 10 10 EFCERN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC(C(N)=O)CC2)cc1 ZINC000729280094 726223281 /nfs/dbraw/zinc/22/32/81/726223281.db2.gz KYRLUVDXGOKZFA-UHFFFAOYSA-N 0 0 339.439 2.868 10 10 EFCERN CC(C)(/C=C\Cl)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000914335281 726240975 /nfs/dbraw/zinc/24/09/75/726240975.db2.gz DLWGPUYJDQDEDY-FPLPWBNLSA-N 0 0 337.851 2.854 10 10 EFCERN C[C@@H](NS(=O)(=O)c1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000914391964 726277516 /nfs/dbraw/zinc/27/75/16/726277516.db2.gz PLFRHVLJUZEIEM-CYBMUJFWSA-N 0 0 348.472 2.714 10 10 EFCERN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc(C)c2C(F)(F)F)c1 ZINC000907059347 726856153 /nfs/dbraw/zinc/85/61/53/726856153.db2.gz BKJKVEHMQPOGIQ-ZETCQYMHSA-N 0 0 343.305 2.942 10 10 EFCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000907103746 726861550 /nfs/dbraw/zinc/86/15/50/726861550.db2.gz HEPCYDUGNUFGRE-LESCRADOSA-N 0 0 333.428 2.715 10 10 EFCERN COC(=O)[C@@H]1CCCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907272504 726900046 /nfs/dbraw/zinc/90/00/46/726900046.db2.gz BXDIUBFMIMIJDQ-NSHDSACASA-N 0 0 349.408 2.870 10 10 EFCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000907275645 726900799 /nfs/dbraw/zinc/90/07/99/726900799.db2.gz XCWSQVNRBIACLU-UKRRQHHQSA-N 0 0 333.428 2.884 10 10 EFCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000907275648 726900863 /nfs/dbraw/zinc/90/08/63/726900863.db2.gz XCWSQVNRBIACLU-ZFWWWQNUSA-N 0 0 333.428 2.884 10 10 EFCERN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531256 726914798 /nfs/dbraw/zinc/91/47/98/726914798.db2.gz OEVQFJIZFHLWBY-AWEZNQCLSA-N 0 0 344.377 2.895 10 10 EFCERN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907349952 726919957 /nfs/dbraw/zinc/91/99/57/726919957.db2.gz ZACHHTPMUAHOPV-DTWKUNHWSA-N 0 0 337.397 2.630 10 10 EFCERN CCOC(=O)[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731871675 726946035 /nfs/dbraw/zinc/94/60/35/726946035.db2.gz QESOOOPPXFCTLM-CYBMUJFWSA-N 0 0 333.409 2.606 10 10 EFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000915366002 726963821 /nfs/dbraw/zinc/96/38/21/726963821.db2.gz KAWPXUXIFOBQSE-WDEREUQCSA-N 0 0 333.329 2.889 10 10 EFCERN CN(C)c1ccc(CNC(=O)N[C@@H](c2ncccn2)C2CC2)cc1F ZINC000915365259 726963873 /nfs/dbraw/zinc/96/38/73/726963873.db2.gz CKTJJQONOLVHGR-MRXNPFEDSA-N 0 0 343.406 2.632 10 10 EFCERN Cc1cnc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000915367215 726964492 /nfs/dbraw/zinc/96/44/92/726964492.db2.gz XAVGFKLMBFEGSQ-UHFFFAOYSA-N 0 0 330.407 2.903 10 10 EFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3cc(C)ccc32)c1 ZINC000731960197 726966969 /nfs/dbraw/zinc/96/69/69/726966969.db2.gz WGQZGDUYYNLRQO-VURMDHGXSA-N 0 0 335.407 2.742 10 10 EFCERN CN1CCCc2cc(CNC(=O)NC3([C@@H]4CCCCO4)CC3)ccc21 ZINC000915390948 726970578 /nfs/dbraw/zinc/97/05/78/726970578.db2.gz WHPTUMIVXSCXEK-SFHVURJKSA-N 0 0 343.471 2.970 10 10 EFCERN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000909231306 727350063 /nfs/dbraw/zinc/35/00/63/727350063.db2.gz JXJDWJYUHRZWOW-MNOVXSKESA-N 0 0 349.408 2.774 10 10 EFCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000910559959 727452868 /nfs/dbraw/zinc/45/28/68/727452868.db2.gz YRVPVOAEMOJGPO-FHLIZLRMSA-N 0 0 346.471 2.698 10 10 EFCERN O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(O)cc1O ZINC000910958923 727473160 /nfs/dbraw/zinc/47/31/60/727473160.db2.gz YEVCPGRRJNYXAH-UHFFFAOYSA-N 0 0 329.421 2.995 10 10 EFCERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc(O)cc1O ZINC000910944165 727474914 /nfs/dbraw/zinc/47/49/14/727474914.db2.gz LTYGMIMUVKSUMK-GFCCVEGCSA-N 0 0 348.424 2.687 10 10 EFCERN O=C(NCc1ccc(O)cc1O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000910944675 727475081 /nfs/dbraw/zinc/47/50/81/727475081.db2.gz WTZJXWROQKAFPO-XOKHGSTOSA-N 0 0 329.783 2.953 10 10 EFCERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1ccc(O)cc1O ZINC000910945403 727475273 /nfs/dbraw/zinc/47/52/73/727475273.db2.gz VCGWKMCATXJZIM-UHFFFAOYSA-N 0 0 328.412 2.640 10 10 EFCERN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262418 727521051 /nfs/dbraw/zinc/52/10/51/727521051.db2.gz QHIPTERQCKIMEP-MEDUHNTESA-N 0 0 336.395 2.646 10 10 EFCERN C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262422 727521073 /nfs/dbraw/zinc/52/10/73/727521073.db2.gz QHIPTERQCKIMEP-ZBEGNZNMSA-N 0 0 336.395 2.646 10 10 EFCERN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911684779 727581975 /nfs/dbraw/zinc/58/19/75/727581975.db2.gz TUISMAZNPMIIND-NRUITVPNSA-N 0 0 326.371 2.822 10 10 EFCERN Cc1cncc(/C=C/C(=O)N2C[C@H](CO)Cc3cccc(F)c32)c1 ZINC000911690559 727583627 /nfs/dbraw/zinc/58/36/27/727583627.db2.gz QFLDZUKGHDRIOU-LLYBFZRZSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ccc(/C=C\C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cn1 ZINC000911692467 727584127 /nfs/dbraw/zinc/58/41/27/727584127.db2.gz PHTIBKLUMHCJSP-ZPIQOJFGSA-N 0 0 326.371 2.740 10 10 EFCERN Cc1ccc(/C=C/C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cn1 ZINC000911692461 727584131 /nfs/dbraw/zinc/58/41/31/727584131.db2.gz PHTIBKLUMHCJSP-KIUWMYQTSA-N 0 0 326.371 2.740 10 10 EFCERN O=C(NCc1cc(Cl)ccc1O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000911898265 727617623 /nfs/dbraw/zinc/61/76/23/727617623.db2.gz OATWLMBVVYSCFP-CLYYMRHHSA-N 0 0 339.844 2.620 10 10 EFCERN CCOC(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912105782 727654309 /nfs/dbraw/zinc/65/43/09/727654309.db2.gz FRBAVQSTGVSLOG-UHFFFAOYSA-N 0 0 346.349 2.597 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000154003662 727689452 /nfs/dbraw/zinc/68/94/52/727689452.db2.gz QDUAAIVNGZLSEF-UHFFFAOYSA-N 0 0 341.342 2.600 10 10 EFCERN CNc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000154125911 727717230 /nfs/dbraw/zinc/71/72/30/727717230.db2.gz ATUHUIQZJMMSBZ-ZDUSSCGKSA-N 0 0 347.440 2.712 10 10 EFCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000733797949 727735467 /nfs/dbraw/zinc/73/54/67/727735467.db2.gz HGYAGDYAXGMGQB-UHFFFAOYSA-N 0 0 338.161 2.748 10 10 EFCERN CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000733881199 727767622 /nfs/dbraw/zinc/76/76/22/727767622.db2.gz YIJBBTVTPGOVDU-XMMPIXPASA-N 0 0 348.468 2.601 10 10 EFCERN Cc1cc(C(=O)NCc2cccnc2N(C)C)c(C)n1-c1ccccn1 ZINC000917133385 727775372 /nfs/dbraw/zinc/77/53/72/727775372.db2.gz DGUZTBGMQDEKME-UHFFFAOYSA-N 0 0 349.438 2.880 10 10 EFCERN COC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158760 727778799 /nfs/dbraw/zinc/77/87/99/727778799.db2.gz SOPRSBZPWPQKQI-INIZCTEOSA-N 0 0 340.423 2.772 10 10 EFCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1O)CCCC2 ZINC000183314035 728033593 /nfs/dbraw/zinc/03/35/93/728033593.db2.gz DLPZPGBLAGUEBO-UHFFFAOYSA-N 0 0 327.380 2.655 10 10 EFCERN CCOCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000056973284 728061323 /nfs/dbraw/zinc/06/13/23/728061323.db2.gz LWYRAYUVVQVFKF-UHFFFAOYSA-N 0 0 334.460 2.688 10 10 EFCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000182523950 728219642 /nfs/dbraw/zinc/21/96/42/728219642.db2.gz AHFQNKPMUVTUGM-UHFFFAOYSA-N 0 0 326.327 2.958 10 10 EFCERN COc1cccc(CNC(=O)Nc2ccc(-c3ncon3)cc2)c1O ZINC000171547233 728539069 /nfs/dbraw/zinc/53/90/69/728539069.db2.gz PGLRZGUXGKZHOE-UHFFFAOYSA-N 0 0 340.339 2.773 10 10 EFCERN COC(=O)/C=C\c1ccc(N(C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000229939975 728545433 /nfs/dbraw/zinc/54/54/33/728545433.db2.gz FJHTUZLPCKOSIA-VURMDHGXSA-N 0 0 327.340 2.812 10 10 EFCERN CN(Cc1ccccc1O)C(=O)NCCOc1ccc(F)cc1F ZINC000171743442 728551508 /nfs/dbraw/zinc/55/15/08/728551508.db2.gz AHWGPOQNSPXXDO-UHFFFAOYSA-N 0 0 336.338 2.891 10 10 EFCERN Cn1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CC1 ZINC000171934333 728559983 /nfs/dbraw/zinc/55/99/83/728559983.db2.gz HLPXDKPEONBOPI-INIZCTEOSA-N 0 0 342.443 2.579 10 10 EFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172447717 728590797 /nfs/dbraw/zinc/59/07/97/728590797.db2.gz FPEOAEPLQWPPME-ZIAGYGMSSA-N 0 0 345.468 2.930 10 10 EFCERN COc1ccc(N2CCN(Cc3nc(CCC(C)C)no3)CC2)cc1 ZINC000063482025 728628911 /nfs/dbraw/zinc/62/89/11/728628911.db2.gz FRZIYRURKIKKQX-UHFFFAOYSA-N 0 0 344.459 2.989 10 10 EFCERN COCc1csc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000174399169 728665395 /nfs/dbraw/zinc/66/53/95/728665395.db2.gz MZXDCKPWQCUGJC-UHFFFAOYSA-N 0 0 338.408 2.816 10 10 EFCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC1([C@@H]2CCCCO2)CC1 ZINC000919918525 729110216 /nfs/dbraw/zinc/11/02/16/729110216.db2.gz NXNMRTADYULTNG-SFHVURJKSA-N 0 0 341.455 2.964 10 10 EFCERN C[C@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000920043401 729129064 /nfs/dbraw/zinc/12/90/64/729129064.db2.gz HXJXBYOEENDJBV-BFHYXJOUSA-N 0 0 335.423 2.743 10 10 EFCERN O=C(NCc1c(O)cccc1F)N[C@H](CCCO)c1ccccc1 ZINC000920063120 729133236 /nfs/dbraw/zinc/13/32/36/729133236.db2.gz AXNBBXMLLOXSAL-MRXNPFEDSA-N 0 0 332.375 2.844 10 10 EFCERN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c(O)c1O ZINC000181833165 729216956 /nfs/dbraw/zinc/21/69/56/729216956.db2.gz SGPKUHLSISUEMI-UHFFFAOYSA-N 0 0 326.352 2.551 10 10 EFCERN COC[C@@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC000921191078 729272345 /nfs/dbraw/zinc/27/23/45/729272345.db2.gz GWWSONXJNNVFBJ-CQSZACIVSA-N 0 0 332.375 2.588 10 10 EFCERN COC[C@H](CNC(=O)NCCCSc1nccs1)C(C)C ZINC000921447423 729459850 /nfs/dbraw/zinc/45/98/50/729459850.db2.gz IIXDIHCTTRFZNQ-LBPRGKRZSA-N 0 0 331.507 2.843 10 10 EFCERN C[C@H](O)C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921450044 729460247 /nfs/dbraw/zinc/46/02/47/729460247.db2.gz RAPBYYMCSZKWEI-DZGCQCFKSA-N 0 0 346.402 2.885 10 10 EFCERN CO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC000921450753 729460564 /nfs/dbraw/zinc/46/05/64/729460564.db2.gz DTWYJOAZHHFHJG-MRXNPFEDSA-N 0 0 345.436 2.546 10 10 EFCERN COc1ccc(O)c(CNC(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000174928194 729466330 /nfs/dbraw/zinc/46/63/30/729466330.db2.gz LZEHLCVKYJOXNX-CQSZACIVSA-N 0 0 344.411 2.805 10 10 EFCERN COc1ccc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000179531162 729585970 /nfs/dbraw/zinc/58/59/70/729585970.db2.gz BPUSQEHWIRHEOP-UHFFFAOYSA-N 0 0 328.460 2.969 10 10 EFCERN COC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000179805325 729630097 /nfs/dbraw/zinc/63/00/97/729630097.db2.gz WFNKPYBWOJLZCP-LBPRGKRZSA-N 0 0 328.206 2.682 10 10 EFCERN Cc1ccc(OCCN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180610585 729762189 /nfs/dbraw/zinc/76/21/89/729762189.db2.gz TXABXYWMFNNQCY-UXBLZVDNSA-N 0 0 327.380 2.957 10 10 EFCERN